#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n1y n ALA 2 N 0.00 2.55 -2.84 0.00 0.00 -1.26 -0.70 120.51 118.27 1n1y n ALA 2 Ca 0.00 -0.17 -0.10 0.00 0.00 0.00 0.00 53.44 53.17 1n1y n ALA 2 Cb 0.00 -1.47 -0.07 0.00 0.00 0.00 0.00 19.45 17.91 1n1y n ALA 2 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1n1y s SER 3 N -2.49 -0.01 -0.43 0.00 0.15 -1.26 -4.66 113.70 105.00 1n1y s SER 3 Ca 0.31 -0.92 -0.46 0.00 0.70 0.00 0.00 55.95 55.58 1n1y s SER 3 Cb 0.20 0.48 -0.20 0.00 -1.71 0.00 0.00 66.02 64.80 1n1y s SER 3 CO 0.45 -0.97 1.53 -0.11 1.20 0.00 0.00 173.24 175.34 1n1y n LEU 4 N -0.28 1.05 -4.74 3.45 7.94 -1.16 -4.70 117.00 118.55 1n1y n LEU 4 Ca -0.05 1.19 -0.41 0.00 -1.11 0.00 0.00 56.01 55.63 1n1y n LEU 4 Cb 0.63 -0.89 0.01 0.00 0.53 0.00 0.00 43.42 43.70 1n1y n LEU 4 CO 0.24 -0.98 1.00 0.00 -1.11 0.00 0.00 177.39 176.54 1n1y n ALA 5 N 3.66 1.78 -1.62 1.96 0.00 -1.26 -4.90 120.51 120.13 1n1y n ALA 5 Ca 0.30 0.29 -0.46 0.00 0.00 0.00 0.00 53.44 53.57 1n1y n ALA 5 Cb -0.04 -2.34 -0.02 0.00 0.00 0.00 0.00 19.45 17.04 1n1y n ALA 5 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1n1y n PRO 6 N 0.12 1.53 -0.29 0.00 -0.02 -1.26 -1.47 135.00 133.61 1n1y n PRO 6 Ca 0.05 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 1n1y n PRO 6 Cb 0.40 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 1n1y n PRO 6 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n1y n GLY 7 N 1.62 0.96 3.75 -1.23 0.00 -1.26 -4.36 105.19 104.67 1n1y n GLY 7 Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 1n1y n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n1y s SER 8 N -2.97 5.23 0.31 1.61 0.01 -0.54 -4.59 113.70 112.77 1n1y s SER 8 Ca 0.00 -0.26 -0.10 0.00 1.31 0.00 0.00 55.95 56.91 1n1y s SER 8 Cb 0.00 -1.27 0.01 0.00 0.21 0.00 0.00 66.02 64.97 1n1y s SER 8 CO 0.00 0.06 0.53 -0.94 0.41 0.00 0.00 173.24 173.30 1n1y s SER 9 N -3.18 0.29 0.18 2.44 1.04 -1.23 -4.91 113.70 108.33 1n1y s SER 9 Ca 0.30 -1.16 -0.19 0.00 0.48 0.00 0.00 55.95 55.38 1n1y s SER 9 Cb -0.09 0.66 0.04 0.00 0.10 0.00 0.00 66.02 66.73 1n1y s SER 9 CO 0.22 -1.30 0.54 0.00 0.98 0.00 0.00 173.24 173.69 1n1y s ARG 10 N -3.38 1.33 0.09 4.02 1.70 -1.26 -1.06 118.95 120.40 1n1y s ARG 10 Ca 0.24 -0.73 0.05 0.00 -0.47 0.00 0.00 55.73 54.82 1n1y s ARG 10 Cb -0.01 0.54 -0.03 0.00 -0.57 0.00 0.00 34.95 34.87 1n1y s ARG 10 CO 0.13 -0.57 -0.12 0.14 -1.08 0.00 0.00 175.30 173.80 1n1y s VAL 11 N -3.83 1.07 -1.33 4.99 -7.23 -0.71 -4.97 120.40 108.39 1n1y s VAL 11 Ca 0.06 -1.53 -0.15 0.00 -1.81 0.00 0.00 61.98 58.55 1n1y s VAL 11 Cb -0.01 -1.28 0.09 0.00 0.56 0.00 0.00 36.38 35.74 1n1y s VAL 11 CO -0.07 -0.42 1.84 1.21 -0.31 0.00 0.00 175.10 177.36 1n1y n GLU 12 N 0.81 3.18 0.21 4.82 2.13 -1.26 -1.45 120.64 129.08 1n1y n GLU 12 Ca -0.18 -3.22 -0.16 0.00 0.66 0.00 0.00 57.16 54.27 1n1y n GLU 12 Cb 0.56 -3.29 -0.08 0.00 0.27 0.00 0.00 31.44 28.90 1n1y n GLU 12 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1n1y h LEU 13 N 10.77 -1.07 -7.93 4.31 5.85 -1.79 -3.29 115.31 122.16 1n1y h LEU 13 Ca 0.45 0.10 -0.78 0.00 0.84 0.00 0.00 57.88 58.49 1n1y h LEU 13 Cb 0.78 0.37 -0.25 0.00 0.37 0.00 0.00 40.66 41.92 1n1y h LEU 13 CO 1.56 -0.52 -0.02 -0.36 -0.34 0.00 0.00 178.44 178.77 1n1y s PHE 14 N -5.97 3.57 -0.17 1.25 0.08 -0.61 -4.98 117.98 111.15 1n1y s PHE 14 Ca -0.17 -1.73 -0.24 0.00 0.12 0.00 0.00 56.93 54.91 1n1y s PHE 14 Cb 0.06 -3.81 -0.02 0.00 -0.57 0.00 0.00 43.02 38.68 1n1y s PHE 14 CO 0.63 -1.00 0.76 0.21 -0.10 0.00 0.00 175.22 175.71 1n1y s LYS 15 N 0.70 4.27 0.47 0.44 2.20 -1.24 -1.02 119.74 125.57 1n1y s LYS 15 Ca 0.12 0.87 -0.24 0.00 -0.36 0.00 0.00 55.97 56.37 1n1y s LYS 15 Cb -0.17 -3.57 -0.07 0.00 -1.51 0.00 0.00 37.83 32.51 1n1y s LYS 15 CO -0.05 -0.28 1.29 -0.98 -0.36 0.00 0.00 175.35 174.98 1n1y s ARG 16 N 2.01 3.59 -1.75 4.03 1.70 -1.26 -1.71 118.95 125.55 1n1y s ARG 16 Ca 0.35 2.10 -0.18 0.00 -0.47 0.00 0.00 55.73 57.53 1n1y s ARG 16 Cb -0.16 -2.47 0.17 0.00 -0.57 0.00 0.00 34.95 31.91 1n1y s ARG 16 CO 0.12 -0.79 0.64 1.63 -1.08 0.00 0.00 175.30 175.82 1n1y n LYS 17 N -0.48 -2.09 0.09 3.89 5.02 -0.73 -4.60 118.16 119.26 1n1y n LYS 17 Ca 0.07 0.27 0.00 0.00 -2.02 0.00 0.00 58.31 56.63 1n1y n LYS 17 Cb 0.45 -4.81 0.00 0.00 -0.02 0.00 0.00 35.03 30.65 1n1y n LYS 17 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1n1y n ASN 18 N -2.62 -1.35 -4.77 4.39 2.85 -1.19 -4.98 115.26 107.60 1n1y n ASN 18 Ca 0.04 0.35 -0.41 0.00 -0.11 0.00 0.00 54.58 54.45 1n1y n ASN 18 Cb 0.50 1.48 -0.02 0.00 1.24 0.00 0.00 39.78 42.98 1n1y n ASN 18 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 1n1y s SER 19 N -2.93 6.84 0.25 1.20 0.01 -0.70 -4.88 113.70 113.51 1n1y s SER 19 Ca 0.00 2.62 0.08 0.00 1.31 0.00 0.00 55.95 59.96 1n1y s SER 19 Cb 0.00 -2.64 -0.04 0.00 0.21 0.00 0.00 66.02 63.55 1n1y s SER 19 CO 0.00 -0.48 0.07 0.42 0.41 0.00 0.00 173.24 173.66 1n1y s THR 20 N -1.06 3.86 0.01 1.44 -4.23 -1.26 -3.13 115.64 111.27 1n1y s THR 20 Ca 0.49 -1.68 0.02 0.00 -1.18 0.00 0.00 61.69 59.34 1n1y s THR 20 Cb -0.39 -3.06 -0.01 0.00 1.34 0.00 0.00 72.50 70.38 1n1y s THR 20 CO 0.50 -0.35 -0.07 0.68 -0.54 0.00 0.00 174.62 174.85 1n1y s VAL 21 N -2.21 0.53 -0.89 2.29 -7.23 -0.89 -4.86 120.40 107.14 1n1y s VAL 21 Ca 0.32 -0.55 -0.25 0.00 -1.81 0.00 0.00 61.98 59.69 1n1y s VAL 21 Cb -0.07 -0.49 -0.19 0.00 0.56 0.00 0.00 36.38 36.19 1n1y s VAL 21 CO 0.22 -0.03 1.92 -0.81 -0.31 0.00 0.00 175.10 176.09 1n1y n PRO 22 N 2.43 0.95 -2.46 4.82 -0.04 -1.26 -2.05 135.00 137.38 1n1y n PRO 22 Ca -0.16 -1.92 -0.40 0.00 -0.04 0.00 0.00 63.50 60.98 1n1y n PRO 22 Cb 0.57 -3.42 -0.04 0.00 -0.04 0.00 0.00 33.50 30.57 1n1y n PRO 22 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1n1y s PHE 23 N 10.75 3.54 -0.21 0.54 5.36 -1.11 -4.66 117.98 132.19 1n1y s PHE 23 Ca 0.70 1.69 -0.04 0.00 -0.96 0.00 0.00 56.93 58.31 1n1y s PHE 23 Cb 0.04 -3.29 -0.01 0.00 -0.34 0.00 0.00 43.02 39.42 1n1y s PHE 23 CO 0.18 -0.60 -0.04 -2.00 -1.46 0.00 0.00 175.22 171.30 1n1y s GLU 24 N -1.52 3.43 0.99 10.12 2.12 -1.26 -1.94 118.70 130.64 1n1y s GLU 24 Ca 0.45 -0.61 -0.13 0.00 0.36 0.00 0.00 54.97 55.05 1n1y s GLU 24 Cb -0.32 -3.00 0.18 0.00 0.26 0.00 0.00 34.13 31.25 1n1y s GLU 24 CO 0.41 -0.13 1.12 -1.21 -0.54 0.00 0.00 175.26 174.91 1n1y s GLU 25 N 1.30 0.51 0.27 4.30 0.41 -0.66 -4.92 118.70 119.91 1n1y s GLU 25 Ca 0.04 0.34 -0.01 0.00 -0.41 0.00 0.00 54.97 54.93 1n1y s GLU 25 Cb -0.14 -1.76 0.48 0.00 -1.78 0.00 0.00 34.13 30.93 1n1y s GLU 25 CO -0.01 -2.63 1.84 0.77 -0.49 0.00 0.00 175.26 174.73 1n1y h SER 26 N -1.82 0.91 -0.00 -0.19 0.02 -1.99 -2.41 113.55 108.06 1n1y h SER 26 Ca -0.52 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 1n1y h SER 26 Cb 1.33 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1n1y h SER 26 CO 0.57 0.51 0.00 -0.46 -1.14 0.00 0.00 176.83 176.31 1n1y n ASN 27 N -4.62 0.13 0.00 3.07 0.23 -1.26 -4.91 115.26 107.91 1n1y n ASN 27 Ca 0.17 -1.07 0.00 0.00 -0.53 0.00 0.00 54.58 53.15 1n1y n ASN 27 Cb 0.30 -0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.00 1n1y n ASN 27 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1n1y n GLY 28 N 1.00 3.17 3.76 4.83 0.00 -0.91 -5.07 105.19 111.98 1n1y n GLY 28 Ca 0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.87 1n1y n GLY 28 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1n1y s THR 29 N -2.81 2.50 -0.13 2.61 -1.32 -1.26 -4.75 115.64 110.48 1n1y s THR 29 Ca 0.00 0.39 0.02 0.00 -1.21 0.00 0.00 61.69 60.89 1n1y s THR 29 Cb 0.00 -3.21 -0.00 0.00 -1.51 0.00 0.00 72.50 67.78 1n1y s THR 29 CO 0.00 0.01 -0.19 -0.63 -2.21 0.00 0.00 174.62 171.60 1n1y s ILE 30 N -1.37 2.42 -0.03 5.08 1.01 -1.26 -1.66 121.20 125.39 1n1y s ILE 30 Ca 0.66 -0.88 0.02 0.00 0.00 0.00 0.00 60.65 60.45 1n1y s ILE 30 Cb -0.36 -1.98 0.01 0.00 0.01 0.00 0.00 42.46 40.14 1n1y s ILE 30 CO 0.44 0.54 -0.06 0.00 0.00 0.00 0.00 174.94 175.87 1n1y s ARG 31 N 0.55 0.70 0.19 2.79 1.70 -0.82 -4.99 118.95 119.07 1n1y s ARG 31 Ca -0.12 -0.17 -0.32 0.00 -0.47 0.00 0.00 55.73 54.66 1n1y s ARG 31 Cb -0.16 -0.69 -0.11 0.00 -0.57 0.00 0.00 34.95 33.41 1n1y s ARG 31 CO 0.04 0.03 1.68 -1.21 -1.08 0.00 0.00 175.30 174.76 1n1y s GLU 32 N 0.41 4.15 -0.04 3.89 0.41 -1.26 -2.75 118.70 123.52 1n1y s GLU 32 Ca -0.05 2.53 0.03 0.00 -0.41 0.00 0.00 54.97 57.06 1n1y s GLU 32 Cb -0.09 -3.14 0.01 0.00 -1.78 0.00 0.00 34.13 29.12 1n1y s GLU 32 CO 0.00 -0.72 -0.10 0.50 -0.49 0.00 0.00 175.26 174.45 1n1y s ARG 33 N 1.30 1.17 0.76 1.61 3.52 -0.87 -4.89 118.95 121.55 1n1y s ARG 33 Ca 0.74 -0.34 -0.15 0.00 -0.13 0.00 0.00 55.73 55.85 1n1y s ARG 33 Cb -0.48 -1.05 0.05 0.00 -1.56 0.00 0.00 34.95 31.91 1n1y s ARG 33 CO 0.32 0.09 1.20 0.28 -0.81 0.00 0.00 175.30 176.38 1n1y n VAL 34 N 3.44 2.83 -3.91 7.11 0.31 -1.26 -2.09 118.33 124.75 1n1y n VAL 34 Ca -0.20 -0.29 -0.24 0.00 -0.01 0.00 0.00 64.34 63.60 1n1y n VAL 34 Cb 0.53 -1.26 -0.17 0.00 -0.91 0.00 0.00 33.84 32.03 1n1y n VAL 34 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1n1y s VAL 35 N -1.91 0.66 0.08 2.52 1.01 -1.18 -4.87 120.40 116.70 1n1y s VAL 35 Ca 0.76 -0.08 -0.36 0.00 0.00 0.00 0.00 61.98 62.29 1n1y s VAL 35 Cb -0.32 -0.74 -0.18 0.00 0.00 0.00 0.00 36.38 35.15 1n1y s VAL 35 CO 0.48 0.30 1.56 -0.74 0.00 0.00 0.00 175.10 176.70 1n1y h HIS 36 N 8.04 -1.39 -3.98 5.22 6.17 -0.64 -1.94 115.15 126.61 1n1y h HIS 36 Ca -0.26 0.00 -0.20 0.00 0.71 0.00 0.00 60.37 60.62 1n1y h HIS 36 Cb 1.13 0.53 -0.18 0.00 2.52 0.00 0.00 27.41 31.42 1n1y h HIS 36 CO 0.48 -0.70 -0.70 -1.12 0.71 0.00 0.00 177.93 176.60 1n1y s SER 37 N -4.30 0.74 -0.15 3.26 0.01 -0.13 -3.08 113.70 110.06 1n1y s SER 37 Ca -0.18 -0.78 0.00 0.00 1.31 0.00 0.00 55.95 56.30 1n1y s SER 37 Cb 0.04 0.10 0.02 0.00 0.21 0.00 0.00 66.02 66.39 1n1y s SER 37 CO 0.60 -0.39 -0.14 -0.36 0.41 0.00 0.00 173.24 173.36 1n1y s PHE 38 N -2.63 2.17 0.31 2.43 0.40 -0.90 -0.68 117.98 119.07 1n1y s PHE 38 Ca -0.01 -1.23 0.03 0.00 -0.60 0.00 0.00 56.93 55.12 1n1y s PHE 38 Cb -0.01 -1.59 -0.05 0.00 0.51 0.00 0.00 43.02 41.88 1n1y s PHE 38 CO -0.04 -0.67 0.11 1.03 0.70 0.00 0.00 175.22 176.36 1n1y s ARG 39 N 1.49 1.59 -0.61 0.44 0.52 -0.80 -4.17 118.95 117.39 1n1y s ARG 39 Ca 0.05 -1.90 -0.11 0.00 -0.52 0.00 0.00 55.73 53.25 1n1y s ARG 39 Cb -0.13 -0.36 0.02 0.00 0.52 0.00 0.00 34.95 34.99 1n1y s ARG 39 CO -0.11 -0.35 0.65 -0.89 0.02 0.00 0.00 175.30 174.62 1n1y n ILE 40 N -0.60 -8.28 -2.95 1.52 2.08 -1.26 0.81 119.36 110.67 1n1y n ILE 40 Ca -0.01 0.21 -0.26 0.00 0.56 0.00 0.00 62.75 63.25 1n1y n ILE 40 Cb 0.66 -5.81 -0.01 0.00 -0.75 0.00 0.00 39.64 33.73 1n1y n ILE 40 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 1n1y s PRO 41 N -3.14 3.53 -0.30 0.38 0.05 -1.26 -3.88 135.00 130.39 1n1y s PRO 41 Ca 0.14 -0.00 -0.11 0.00 0.05 0.00 0.00 61.00 61.08 1n1y s PRO 41 Cb -0.03 -2.50 0.13 0.00 0.05 0.00 0.00 34.50 32.16 1n1y s PRO 41 CO 0.80 -0.05 0.69 0.99 0.05 0.00 0.00 177.00 179.48 1n1y s THR 42 N -2.54 -0.90 -0.10 1.26 2.01 -0.34 -4.61 115.64 110.42 1n1y s THR 42 Ca 0.45 0.00 0.04 0.00 0.31 0.00 0.00 61.69 62.48 1n1y s THR 42 Cb -0.10 -1.00 -0.00 0.00 0.01 0.00 0.00 72.50 71.41 1n1y s THR 42 CO 0.40 0.00 -0.23 -0.51 -0.69 0.00 0.00 174.62 173.60 1n1y s ILE 43 N 2.79 2.20 0.22 1.82 2.07 -1.26 -0.48 121.20 128.56 1n1y s ILE 43 Ca -0.06 -0.98 -0.00 0.00 -1.41 0.00 0.00 60.65 58.20 1n1y s ILE 43 Cb -0.11 -1.84 -0.04 0.00 0.13 0.00 0.00 42.46 40.60 1n1y s ILE 43 CO -0.19 0.56 0.14 0.68 -1.91 0.00 0.00 174.94 174.22 1n1y s VAL 44 N 0.24 0.05 -0.27 4.00 -7.23 -0.95 -4.68 120.40 111.56 1n1y s VAL 44 Ca -0.15 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 57.98 1n1y s VAL 44 Cb -0.17 -2.51 0.02 0.00 0.56 0.00 0.00 36.38 34.28 1n1y s VAL 44 CO 0.08 0.00 0.01 0.21 -0.31 0.00 0.00 175.10 175.08 1n1y s ASN 45 N -3.19 4.71 -0.32 4.85 2.47 -1.26 -1.61 114.94 120.59 1n1y s ASN 45 Ca 0.39 -0.81 -0.05 0.00 0.42 0.00 0.00 52.86 52.81 1n1y s ASN 45 Cb 0.07 -1.76 0.04 0.00 -1.45 0.00 0.00 41.25 38.14 1n1y s ASN 45 CO 0.14 -0.16 0.07 -0.69 -3.72 0.00 0.00 177.10 172.73 1n1y s VAL 46 N 1.40 3.56 -1.67 -5.21 1.01 0.48 -4.73 120.40 115.23 1n1y s VAL 46 Ca 0.01 -1.12 -0.14 0.00 0.00 0.00 0.00 61.98 60.73 1n1y s VAL 46 Cb -0.17 -2.99 0.13 0.00 0.00 0.00 0.00 36.38 33.35 1n1y s VAL 46 CO -0.01 -0.10 0.57 -0.67 0.00 0.00 0.00 175.10 174.89 1n1y n ASP 47 N 4.77 -1.88 0.00 3.32 -0.08 -1.26 0.75 116.55 122.16 1n1y n ASP 47 Ca -0.13 -1.10 0.00 0.00 -1.51 0.00 0.00 54.79 52.05 1n1y n ASP 47 Cb 0.45 -2.40 0.00 0.00 2.34 0.00 0.00 41.12 41.51 1n1y n ASP 47 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1n1y n GLY 48 N -1.59 0.96 3.48 0.27 0.00 -1.26 -5.04 105.19 102.00 1n1y n GLY 48 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 1n1y n GLY 48 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n1y s VAL 49 N -3.01 3.94 0.12 1.61 1.01 0.23 -4.84 120.40 119.45 1n1y s VAL 49 Ca 0.00 -0.33 -0.30 0.00 0.00 0.00 0.00 61.98 61.35 1n1y s VAL 49 Cb 0.00 -2.75 -0.06 0.00 0.00 0.00 0.00 36.38 33.57 1n1y s VAL 49 CO 0.00 0.47 0.99 -0.04 0.00 0.00 0.00 175.10 176.52 1n1y s MET 50 N 0.62 4.67 -0.18 2.72 -1.94 -0.78 -0.39 119.30 124.01 1n1y s MET 50 Ca -0.02 1.50 -0.02 0.00 -1.71 0.00 0.00 55.69 55.45 1n1y s MET 50 Cb -0.14 -3.36 0.05 0.00 2.01 0.00 0.00 34.83 33.39 1n1y s MET 50 CO 0.02 0.18 0.00 0.08 -0.01 0.00 0.00 175.02 175.29 1n1y s VAL 51 N 0.00 0.79 -0.26 -6.03 1.01 -0.63 -1.46 120.40 113.82 1n1y s VAL 51 Ca 0.48 -0.61 -0.10 0.00 0.00 0.00 0.00 61.98 61.74 1n1y s VAL 51 Cb -0.24 -1.16 -0.05 0.00 0.00 0.00 0.00 36.38 34.93 1n1y s VAL 51 CO 0.31 -0.08 0.16 0.00 0.00 0.00 0.00 175.10 175.49 1n1y s ALA 52 N 1.75 3.50 -0.06 5.51 0.00 -0.45 -2.24 121.76 129.76 1n1y s ALA 52 Ca -0.01 -1.03 0.02 0.00 0.00 0.00 0.00 51.96 50.94 1n1y s ALA 52 Cb -0.17 -2.37 -0.03 0.00 0.00 0.00 0.00 23.12 20.56 1n1y s ALA 52 CO -0.07 -0.43 -0.11 0.42 0.00 0.00 0.00 175.76 175.56 1n1y s ILE 53 N 1.52 3.32 0.13 0.00 1.09 0.37 -1.94 121.20 125.69 1n1y s ILE 53 Ca 0.07 -0.62 -0.25 0.00 -1.10 0.00 0.00 60.65 58.75 1n1y s ILE 53 Cb -0.15 -2.33 0.07 0.00 -1.06 0.00 0.00 42.46 38.99 1n1y s ILE 53 CO 0.08 0.59 0.83 0.00 -0.10 0.00 0.00 174.94 176.34 1n1y s ALA 54 N -0.68 -1.63 0.00 9.38 0.00 -1.09 -1.20 121.76 126.55 1n1y s ALA 54 Ca 0.10 0.39 -0.30 0.00 0.00 0.00 0.00 51.96 52.15 1n1y s ALA 54 Cb -0.11 0.65 -0.04 0.00 0.00 0.00 0.00 23.12 23.62 1n1y s ALA 54 CO 0.01 -0.88 1.09 -0.51 0.00 0.00 0.00 175.76 175.46 1n1y s ASP 55 N -2.76 7.21 -0.61 0.00 1.11 0.24 -1.21 116.67 120.66 1n1y s ASP 55 Ca 0.08 1.78 -0.14 0.00 0.18 0.00 0.00 52.55 54.46 1n1y s ASP 55 Cb -0.02 -2.57 0.15 0.00 1.07 0.00 0.00 42.92 41.55 1n1y s ASP 55 CO -0.03 -0.40 0.54 0.00 1.18 0.00 0.00 175.17 176.46 1n1y s ALA 56 N 1.31 3.72 -0.63 5.23 0.00 0.92 -1.91 121.76 130.39 1n1y s ALA 56 Ca 0.54 -2.78 -0.19 0.00 0.00 0.00 0.00 51.96 49.53 1n1y s ALA 56 Cb -0.24 -3.23 0.11 0.00 0.00 0.00 0.00 23.12 19.76 1n1y s ALA 56 CO 0.26 -2.07 0.77 1.03 0.00 0.00 0.00 175.76 175.75 1n1y s ARG 57 N 1.10 3.11 0.07 0.00 0.52 0.14 -2.18 118.95 121.71 1n1y s ARG 57 Ca 0.08 -1.33 -0.30 0.00 -0.52 0.00 0.00 55.73 53.66 1n1y s ARG 57 Cb -0.24 -4.31 -0.18 0.00 0.52 0.00 0.00 34.95 30.74 1n1y s ARG 57 CO -0.01 -1.59 1.63 1.88 0.02 0.00 0.00 175.30 177.24 1n1y h TYR 58 N 9.16 -0.62 0.00 -0.53 -1.99 -1.76 -0.27 116.97 120.97 1n1y h TYR 58 Ca -0.25 -0.01 -0.34 0.00 2.00 0.00 0.00 58.73 60.12 1n1y h TYR 58 Cb 1.08 0.20 -0.06 0.00 2.00 0.00 0.00 36.73 39.95 1n1y h TYR 58 CO 0.89 -0.37 -2.15 0.39 -0.00 0.00 0.00 178.16 176.91 1n1y n GLU 59 N -5.37 0.67 -3.63 4.88 -0.58 -1.26 -0.66 120.64 114.69 1n1y n GLU 59 Ca -0.12 0.11 -0.09 0.00 -0.42 0.00 0.00 57.16 56.64 1n1y n GLU 59 Cb 0.28 -1.62 -0.02 0.00 -0.57 0.00 0.00 31.44 29.51 1n1y n GLU 59 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 1n1y s THR 60 N -2.53 0.00 -0.91 2.62 -1.32 -1.26 -4.84 115.64 107.40 1n1y s THR 60 Ca -0.10 -0.45 0.27 0.00 -1.21 0.00 0.00 61.69 60.20 1n1y s THR 60 Cb 0.07 -1.48 0.20 0.00 -1.51 0.00 0.00 72.50 69.78 1n1y s THR 60 CO 0.82 0.00 1.76 -1.54 -2.21 0.00 0.00 174.62 173.45 1n1y n SER 61 N -0.41 0.33 -4.73 8.08 3.41 -1.26 -4.73 113.62 114.30 1n1y n SER 61 Ca -0.10 0.37 -0.36 0.00 -0.26 0.00 0.00 58.87 58.51 1n1y n SER 61 Cb 0.62 -0.39 0.07 0.00 -0.26 0.00 0.00 64.21 64.24 1n1y n SER 61 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1n1y s PHE 62 N -3.04 2.13 0.34 7.33 0.08 -1.26 -4.92 117.98 118.65 1n1y s PHE 62 Ca 0.12 1.52 0.05 0.00 0.12 0.00 0.00 56.93 58.74 1n1y s PHE 62 Cb 0.17 -3.59 0.62 0.00 -0.57 0.00 0.00 43.02 39.65 1n1y s PHE 62 CO 0.59 -2.69 1.87 -0.44 -0.10 0.00 0.00 175.22 174.45 1n1y h ASP 63 N 0.39 0.45 -3.04 1.36 3.45 -2.00 -3.35 116.42 113.67 1n1y h ASP 63 Ca -0.50 -0.09 -0.78 0.00 0.43 0.00 0.00 57.03 56.09 1n1y h ASP 63 Cb 1.32 -0.12 -0.24 0.00 -0.56 0.00 0.00 39.33 39.73 1n1y h ASP 63 CO 0.53 0.54 0.80 0.59 -1.57 0.00 0.00 179.24 180.12 1n1y n ASN 64 N -4.27 5.44 -2.05 6.45 3.02 -1.26 -4.95 115.26 117.65 1n1y n ASN 64 Ca 0.01 -3.03 -0.04 0.00 -0.03 0.00 0.00 54.58 51.49 1n1y n ASN 64 Cb 0.26 -1.44 0.02 0.00 -0.61 0.00 0.00 39.78 38.00 1n1y n ASN 64 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1n1y n SER 65 N 3.65 -1.24 -4.62 6.41 3.41 -1.26 -4.94 113.62 115.03 1n1y n SER 65 Ca 0.29 -1.83 -0.43 0.00 -0.26 0.00 0.00 58.87 56.64 1n1y n SER 65 Cb 0.40 2.06 -0.03 0.00 -0.26 0.00 0.00 64.21 66.39 1n1y n SER 65 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1n1y s PHE 66 N -4.94 1.94 0.03 7.33 5.36 -1.24 -4.43 117.98 122.03 1n1y s PHE 66 Ca 0.10 0.51 0.01 0.00 -0.96 0.00 0.00 56.93 56.59 1n1y s PHE 66 Cb -0.03 -4.03 -0.02 0.00 -0.34 0.00 0.00 43.02 38.60 1n1y s PHE 66 CO 0.06 -3.14 -0.06 0.42 -1.46 0.00 0.00 175.22 171.04 1n1y s ILE 67 N 5.72 0.39 0.03 3.12 1.01 -1.19 -2.81 121.20 127.47 1n1y s ILE 67 Ca 0.76 -0.85 -0.10 0.00 0.00 0.00 0.00 60.65 60.46 1n1y s ILE 67 Cb -0.26 -0.45 0.01 0.00 0.01 0.00 0.00 42.46 41.77 1n1y s ILE 67 CO 0.31 -0.31 0.22 -1.61 0.00 0.00 0.00 174.94 173.55 1n1y s GLU 68 N -1.24 0.68 -0.50 2.79 2.02 -0.93 -3.17 118.70 118.35 1n1y s GLU 68 Ca -0.09 -0.54 -0.26 0.00 0.02 0.00 0.00 54.97 54.11 1n1y s GLU 68 Cb -0.08 0.29 0.03 0.00 0.10 0.00 0.00 34.13 34.47 1n1y s GLU 68 CO -0.00 -0.20 0.98 0.99 0.02 0.00 0.00 175.26 177.05 1n1y s THR 69 N -2.27 4.37 0.51 3.63 2.01 -1.07 -0.06 115.64 122.76 1n1y s THR 69 Ca -0.07 0.66 -0.07 0.00 0.31 0.00 0.00 61.69 62.53 1n1y s THR 69 Cb -0.02 -4.51 -0.04 0.00 0.01 0.00 0.00 72.50 67.93 1n1y s THR 69 CO -0.02 -0.99 0.84 0.00 -0.69 0.00 0.00 174.62 173.75 1n1y s ALA 70 N 4.01 3.34 -0.03 7.40 0.00 -0.35 -1.07 121.76 135.07 1n1y s ALA 70 Ca 0.37 -0.41 -0.06 0.00 0.00 0.00 0.00 51.96 51.86 1n1y s ALA 70 Cb -0.10 -2.69 0.01 0.00 0.00 0.00 0.00 23.12 20.33 1n1y s ALA 70 CO 0.25 -0.41 0.14 0.08 0.00 0.00 0.00 175.76 175.82 1n1y s VAL 71 N -2.82 0.05 -0.11 0.00 1.01 -0.50 -2.66 120.40 115.37 1n1y s VAL 71 Ca 0.49 -0.37 -0.04 0.00 0.00 0.00 0.00 61.98 62.06 1n1y s VAL 71 Cb -0.10 -0.33 0.05 0.00 0.00 0.00 0.00 36.38 35.99 1n1y s VAL 71 CO 0.46 -0.21 0.07 -0.54 0.00 0.00 0.00 175.10 174.89 1n1y s LYS 72 N -0.70 0.01 0.22 2.72 1.02 -0.82 -1.71 119.74 120.49 1n1y s LYS 72 Ca -0.08 0.12 0.09 0.00 0.02 0.00 0.00 55.97 56.13 1n1y s LYS 72 Cb -0.05 -1.23 -0.04 0.00 -0.52 0.00 0.00 37.83 35.99 1n1y s LYS 72 CO 0.01 -0.51 -0.05 1.52 -0.92 0.00 0.00 175.35 175.40 1n1y s TYR 73 N 2.15 2.66 0.04 3.18 1.13 -0.85 -1.34 117.35 124.32 1n1y s TYR 73 Ca 0.03 -0.22 -0.05 0.00 -1.41 0.00 0.00 57.07 55.42 1n1y s TYR 73 Cb -0.14 -1.24 -0.01 0.00 -1.10 0.00 0.00 41.96 39.47 1n1y s TYR 73 CO -0.06 0.57 0.09 0.45 -2.51 0.00 0.00 175.55 174.09 1n1y s SER 74 N -3.27 0.19 0.00 -0.18 0.15 -0.54 -1.83 113.70 108.22 1n1y s SER 74 Ca 0.28 -0.54 0.00 0.00 0.70 0.00 0.00 55.95 56.39 1n1y s SER 74 Cb -0.08 0.22 0.00 0.00 -1.71 0.00 0.00 66.02 64.46 1n1y s SER 74 CO 0.18 -0.50 0.08 1.33 1.20 0.00 0.00 173.24 175.53 1n1y n VAL 75 N 0.79 0.00 -2.46 4.45 0.24 -1.26 -1.87 118.33 118.21 1n1y n VAL 75 Ca -0.19 -0.44 -0.27 0.00 -2.04 0.00 0.00 64.34 61.40 1n1y n VAL 75 Cb 0.58 1.02 0.00 0.00 -1.47 0.00 0.00 33.84 33.98 1n1y n VAL 75 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1n1y n ASP 76 N -0.72 4.68 -4.08 -1.34 5.68 -1.26 -4.96 116.55 114.54 1n1y n ASP 76 Ca 0.00 -3.71 -0.33 0.00 -0.50 0.00 0.00 54.79 50.25 1n1y n ASP 76 Cb 0.01 -0.46 -0.06 0.00 -1.14 0.00 0.00 41.12 39.47 1n1y n ASP 76 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1n1y n ASP 77 N -0.49 -1.84 0.00 -1.12 10.43 -1.26 -1.34 116.55 120.93 1n1y n ASP 77 Ca 0.39 -0.86 0.00 0.00 2.57 0.00 0.00 54.79 56.89 1n1y n ASP 77 Cb 0.68 -1.62 0.00 0.00 1.84 0.00 0.00 41.12 42.02 1n1y n ASP 77 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1n1y n GLY 78 N -0.98 0.57 0.25 0.44 0.00 -1.26 -5.00 105.19 99.22 1n1y n GLY 78 Ca 0.09 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 1n1y n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n1y h ALA 79 N 0.00 -0.56 -2.77 4.61 0.00 -1.64 -3.45 119.26 115.45 1n1y h ALA 79 Ca 0.00 -0.19 -0.63 0.00 0.00 0.00 0.00 54.91 54.09 1n1y h ALA 79 Cb 0.00 0.22 -0.16 0.00 0.00 0.00 0.00 17.79 17.84 1n1y h ALA 79 CO 0.00 -0.63 -0.78 0.95 0.00 0.00 0.00 179.25 178.79 1n1y s THR 80 N -4.47 2.53 0.04 0.00 -4.23 -1.26 -5.11 115.64 103.14 1n1y s THR 80 Ca -0.13 -2.13 0.00 0.00 -1.18 0.00 0.00 61.69 58.25 1n1y s THR 80 Cb 0.02 -2.27 -0.03 0.00 1.34 0.00 0.00 72.50 71.56 1n1y s THR 80 CO 0.48 -0.23 -0.04 0.26 -0.54 0.00 0.00 174.62 174.55 1n1y s TRP 81 N -2.01 0.43 0.10 3.99 0.52 -1.26 -4.53 118.94 116.18 1n1y s TRP 81 Ca 0.25 -0.65 0.10 0.00 0.02 0.00 0.00 56.10 55.82 1n1y s TRP 81 Cb -0.07 -0.29 -0.04 0.00 -1.15 0.00 0.00 33.47 31.92 1n1y s TRP 81 CO 0.13 -0.20 -0.25 -0.80 0.02 0.00 0.00 176.95 175.85 1n1y s ASN 82 N -1.86 3.43 -0.05 2.95 -0.87 -0.76 -4.98 114.94 112.80 1n1y s ASN 82 Ca -0.09 -0.65 0.04 0.00 -1.57 0.00 0.00 52.86 50.59 1n1y s ASN 82 Cb -0.06 -0.33 -0.00 0.00 -0.02 0.00 0.00 41.25 40.85 1n1y s ASN 82 CO -0.03 0.20 -0.18 -0.89 -2.57 0.00 0.00 177.10 173.63 1n1y s THR 83 N -1.01 1.55 0.21 1.60 2.01 -1.26 -2.01 115.64 116.73 1n1y s THR 83 Ca 0.14 -0.77 -0.03 0.00 0.31 0.00 0.00 61.69 61.35 1n1y s THR 83 Cb -0.10 -1.34 -0.03 0.00 0.01 0.00 0.00 72.50 71.04 1n1y s THR 83 CO 0.06 0.44 0.18 -1.10 -0.69 0.00 0.00 174.62 173.52 1n1y s GLN 84 N 0.13 1.27 -0.42 4.92 -0.21 -0.70 -4.79 119.66 119.86 1n1y s GLN 84 Ca -0.07 -1.58 -0.06 0.00 0.02 0.00 0.00 55.36 53.66 1n1y s GLN 84 Cb -0.13 0.30 0.10 0.00 1.00 0.00 0.00 33.01 34.28 1n1y s GLN 84 CO 0.03 -0.43 0.24 0.42 -2.12 0.00 0.00 175.29 173.43 1n1y s ILE 85 N -4.12 3.79 0.05 1.08 -1.09 -1.26 -1.40 121.20 118.25 1n1y s ILE 85 Ca 0.37 -1.73 -0.25 0.00 -2.23 0.00 0.00 60.65 56.80 1n1y s ILE 85 Cb 0.06 -3.45 -0.17 0.00 -1.58 0.00 0.00 42.46 37.32 1n1y s ILE 85 CO 0.12 -0.61 1.55 0.00 -1.23 0.00 0.00 174.94 174.77 1n1y h ALA 86 N 8.26 -0.14 -3.41 9.38 0.00 -1.40 -3.44 119.26 128.50 1n1y h ALA 86 Ca -0.19 -0.10 -0.42 0.00 0.00 0.00 0.00 54.91 54.20 1n1y h ALA 86 Cb 1.07 0.06 -0.35 0.00 0.00 0.00 0.00 17.79 18.56 1n1y h ALA 86 CO 0.75 -0.50 -0.77 0.42 0.00 0.00 0.00 179.25 179.14 1n1y s ILE 87 N -5.53 0.51 0.48 0.00 1.01 -1.22 -4.96 121.20 111.50 1n1y s ILE 87 Ca -0.14 -0.08 -0.06 0.00 0.00 0.00 0.00 60.65 60.38 1n1y s ILE 87 Cb 0.04 -0.57 -0.04 0.00 0.01 0.00 0.00 42.46 41.91 1n1y s ILE 87 CO 0.64 0.23 0.79 -0.54 0.00 0.00 0.00 174.94 176.07 1n1y s LYS 88 N 1.15 3.55 0.68 2.79 1.02 -1.26 -2.59 119.74 125.08 1n1y s LYS 88 Ca -0.07 0.22 -0.00 0.00 0.02 0.00 0.00 55.97 56.14 1n1y s LYS 88 Cb -0.14 -2.37 0.11 0.00 -0.52 0.00 0.00 37.83 34.91 1n1y s LYS 88 CO -0.01 -0.21 0.95 0.54 -0.92 0.00 0.00 175.35 175.70 1n1y s ASN 89 N -4.07 4.55 0.49 2.83 6.03 -1.26 -4.89 114.94 118.62 1n1y s ASN 89 Ca 0.48 -0.29 0.27 0.00 -1.03 0.00 0.00 52.86 52.29 1n1y s ASN 89 Cb -0.10 -0.20 1.23 0.00 -3.03 0.00 0.00 41.25 39.15 1n1y s ASN 89 CO 0.45 -1.71 1.96 0.77 -2.03 0.00 0.00 177.10 176.54 1n1y h SER 90 N -0.40 0.00 -0.79 3.54 4.64 -1.88 -3.47 113.55 115.19 1n1y h SER 90 Ca -0.37 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 60.70 1n1y h SER 90 Cb 1.27 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.28 1n1y h SER 90 CO 0.43 0.16 -0.24 0.54 -0.87 0.00 0.00 176.83 176.85 1n1y n ARG 91 N -3.46 -0.86 0.25 4.77 5.12 -1.26 -4.90 116.66 116.32 1n1y n ARG 91 Ca -0.01 0.86 0.15 0.00 -1.93 0.00 0.00 57.85 56.93 1n1y n ARG 91 Cb 0.33 -4.90 0.54 0.00 -1.16 0.00 0.00 32.46 27.26 1n1y n ARG 91 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1n1y h ALA 92 N 0.11 1.00 -2.12 7.54 0.00 -1.90 -3.48 119.26 120.41 1n1y h ALA 92 Ca -0.25 0.00 0.23 0.00 0.00 0.00 0.00 54.91 54.89 1n1y h ALA 92 Cb 0.86 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 1n1y h ALA 92 CO 0.36 0.00 0.66 -1.13 0.00 0.00 0.00 179.25 179.14 1n1y n SER 93 N -3.00 -1.15 0.31 0.00 3.41 -1.26 -4.98 113.62 106.96 1n1y n SER 93 Ca 0.02 -1.40 0.20 0.00 -0.26 0.00 0.00 58.87 57.43 1n1y n SER 93 Cb 0.36 1.82 1.05 0.00 -0.26 0.00 0.00 64.21 67.18 1n1y n SER 93 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1n1y h SER 94 N 1.64 0.00 -0.07 4.04 4.64 -1.92 -2.69 113.55 119.19 1n1y h SER 94 Ca -0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1n1y h SER 94 Cb 0.98 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 1n1y h SER 94 CO 0.27 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.56 1n1y n VAL 95 N -3.27 0.21 -1.56 0.95 0.24 -1.26 -3.61 118.33 110.03 1n1y n VAL 95 Ca -0.02 -0.60 -0.42 0.00 -2.04 0.00 0.00 64.34 61.25 1n1y n VAL 95 Cb 0.16 1.05 0.01 0.00 -1.47 0.00 0.00 33.84 33.59 1n1y n VAL 95 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1n1y n SER 96 N 0.49 0.69 -3.51 -1.34 7.64 -1.02 -4.18 113.62 112.39 1n1y n SER 96 Ca 0.06 1.03 -0.12 0.00 1.01 0.00 0.00 58.87 60.86 1n1y n SER 96 Cb 0.27 -1.28 -0.04 0.00 -1.01 0.00 0.00 64.21 62.16 1n1y n SER 96 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1n1y s ARG 97 N -1.82 0.90 -0.08 1.43 1.70 -0.74 -3.18 118.95 117.16 1n1y s ARG 97 Ca 0.63 -0.10 0.01 0.00 -0.47 0.00 0.00 55.73 55.80 1n1y s ARG 97 Cb -0.60 0.42 0.02 0.00 -0.57 0.00 0.00 34.95 34.22 1n1y s ARG 97 CO 0.57 -0.35 -0.09 0.14 -1.08 0.00 0.00 175.30 174.49 1n1y s VAL 98 N -2.30 1.03 0.28 4.99 -7.23 -1.19 -1.34 120.40 114.63 1n1y s VAL 98 Ca -0.01 -0.36 -0.07 0.00 -1.81 0.00 0.00 61.98 59.73 1n1y s VAL 98 Cb -0.01 -0.99 -0.01 0.00 0.56 0.00 0.00 36.38 35.93 1n1y s VAL 98 CO -0.03 0.35 0.42 0.00 -0.31 0.00 0.00 175.10 175.53 1n1y s MET 99 N 1.16 1.64 -1.10 4.82 0.00 -0.48 -4.26 119.30 121.08 1n1y s MET 99 Ca -0.06 -1.51 -0.08 0.00 0.00 0.00 0.00 55.69 54.05 1n1y s MET 99 Cb -0.14 0.43 -0.05 0.00 0.00 0.00 0.00 34.83 35.07 1n1y s MET 99 CO -0.02 -0.67 0.89 -0.25 0.00 0.00 0.00 175.02 174.98 1n1y n ASP 100 N -0.77 -5.52 -4.77 -1.18 8.00 -1.26 -1.98 116.55 109.08 1n1y n ASP 100 Ca -0.00 -0.77 -0.41 0.00 0.71 0.00 0.00 54.79 54.32 1n1y n ASP 100 Cb 0.62 -4.78 -0.01 0.00 -0.02 0.00 0.00 41.12 36.93 1n1y n ASP 100 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1n1y s ALA 101 N -3.42 3.59 -0.04 2.24 0.00 -1.26 -4.64 121.76 118.23 1n1y s ALA 101 Ca 0.38 1.45 0.07 0.00 0.00 0.00 0.00 51.96 53.86 1n1y s ALA 101 Cb -0.07 -3.57 -0.01 0.00 0.00 0.00 0.00 23.12 19.46 1n1y s ALA 101 CO 0.77 -0.89 -0.25 0.99 0.00 0.00 0.00 175.76 176.38 1n1y s THR 102 N -0.75 2.04 -0.01 0.00 2.01 -0.70 -3.01 115.64 115.22 1n1y s THR 102 Ca 0.55 -1.07 0.05 0.00 0.31 0.00 0.00 61.69 61.52 1n1y s THR 102 Cb -0.44 -1.71 -0.01 0.00 0.01 0.00 0.00 72.50 70.35 1n1y s THR 102 CO 0.55 0.57 -0.15 -0.69 -0.69 0.00 0.00 174.62 174.20 1n1y s VAL 103 N -0.31 1.20 -0.02 3.82 1.01 -0.55 -2.09 120.40 123.46 1n1y s VAL 103 Ca 0.01 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.37 1n1y s VAL 103 Cb -0.12 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.26 1n1y s VAL 103 CO 0.02 0.34 -0.10 -0.63 0.00 0.00 0.00 175.10 174.73 1n1y s ILE 104 N -0.35 0.85 -0.20 2.22 1.01 -0.94 0.13 121.20 123.91 1n1y s ILE 104 Ca 0.06 -0.41 0.00 0.00 0.00 0.00 0.00 60.65 60.30 1n1y s ILE 104 Cb -0.06 -0.74 0.02 0.00 0.01 0.00 0.00 42.46 41.69 1n1y s ILE 104 CO -0.01 0.26 -0.15 -0.69 0.00 0.00 0.00 174.94 174.35 1n1y s VAL 105 N 0.10 2.38 -0.07 2.92 1.01 -1.26 -1.52 120.40 123.95 1n1y s VAL 105 Ca -0.02 -0.95 -0.00 0.00 0.00 0.00 0.00 61.98 61.01 1n1y s VAL 105 Cb -0.08 -2.08 0.03 0.00 0.00 0.00 0.00 36.38 34.24 1n1y s VAL 105 CO 0.00 0.42 -0.03 -0.75 0.00 0.00 0.00 175.10 174.75 1n1y s LYS 106 N 1.31 0.82 7.69 2.72 2.20 -1.05 -4.78 119.74 128.65 1n1y s LYS 106 Ca 0.03 -0.02 0.00 0.00 -0.36 0.00 0.00 55.97 55.63 1n1y s LYS 106 Cb -0.14 -1.02 0.00 0.00 -1.51 0.00 0.00 37.83 35.16 1n1y s LYS 106 CO -0.10 -0.22 0.00 0.41 -0.36 0.00 0.00 175.35 175.08 1n1y n GLY 107 N 4.75 3.18 0.95 5.54 0.00 -1.26 -1.95 105.19 116.40 1n1y n GLY 107 Ca -0.14 -0.16 0.08 0.00 0.00 0.00 0.00 46.02 45.81 1n1y n GLY 107 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1n1y n ASN 108 N 7.19 3.93 -4.45 1.61 6.94 -1.26 -4.46 115.26 124.76 1n1y n ASN 108 Ca 0.00 -3.05 -0.30 0.00 -0.02 0.00 0.00 54.58 51.21 1n1y n ASN 108 Cb 0.00 -0.56 -0.12 0.00 -2.36 0.00 0.00 39.78 36.74 1n1y n ASN 108 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1n1y s LYS 109 N -2.85 1.90 -0.12 -3.83 1.02 -0.82 -1.44 119.74 113.61 1n1y s LYS 109 Ca 0.43 -1.09 -0.00 0.00 0.02 0.00 0.00 55.97 55.33 1n1y s LYS 109 Cb 0.35 -2.12 -0.02 0.00 -0.52 0.00 0.00 37.83 35.51 1n1y s LYS 109 CO 0.09 0.51 -0.11 -0.51 -0.92 0.00 0.00 175.35 174.41 1n1y s LEU 110 N -1.70 2.87 -0.30 3.17 1.43 0.20 -2.52 118.68 121.83 1n1y s LEU 110 Ca 0.15 -0.24 -0.04 0.00 -1.03 0.00 0.00 54.13 52.98 1n1y s LEU 110 Cb -0.10 -1.65 0.04 0.00 0.03 0.00 0.00 46.19 44.50 1n1y s LEU 110 CO 0.07 0.21 0.03 -0.31 0.23 0.00 0.00 176.35 176.58 1n1y s TYR 111 N 0.11 3.21 -0.17 0.29 2.02 -0.58 -0.15 117.35 122.09 1n1y s TYR 111 Ca -0.05 -1.56 -0.02 0.00 -0.37 0.00 0.00 57.07 55.07 1n1y s TYR 111 Cb -0.14 -2.17 -0.01 0.00 -0.40 0.00 0.00 41.96 39.23 1n1y s TYR 111 CO 0.04 -0.74 -0.09 0.42 -1.57 0.00 0.00 175.55 173.62 1n1y s ILE 112 N 1.34 3.28 -0.14 2.71 1.01 0.11 -2.21 121.20 127.29 1n1y s ILE 112 Ca -0.02 -0.56 0.01 0.00 0.00 0.00 0.00 60.65 60.07 1n1y s ILE 112 Cb -0.19 -2.43 -0.00 0.00 0.01 0.00 0.00 42.46 39.85 1n1y s ILE 112 CO 0.00 0.48 -0.16 -0.22 0.00 0.00 0.00 174.94 175.05 1n1y s LEU 113 N 0.78 2.49 0.16 2.97 2.96 -0.89 0.17 118.68 127.33 1n1y s LEU 113 Ca -0.03 -0.44 -0.01 0.00 -0.22 0.00 0.00 54.13 53.43 1n1y s LEU 113 Cb -0.15 -1.56 -0.04 0.00 0.50 0.00 0.00 46.19 44.94 1n1y s LEU 113 CO 0.01 0.11 0.07 0.68 -1.32 0.00 0.00 176.35 175.91 1n1y s VAL 114 N 0.65 0.16 -0.14 1.68 -7.23 -0.55 -1.72 120.40 113.25 1n1y s VAL 114 Ca -0.08 -1.95 -0.09 0.00 -1.81 0.00 0.00 61.98 58.05 1n1y s VAL 114 Cb -0.16 -2.22 -0.04 0.00 0.56 0.00 0.00 36.38 34.52 1n1y s VAL 114 CO 0.02 -0.31 0.16 -0.83 -0.31 0.00 0.00 175.10 173.84 1n1y s GLY 115 N -3.11 2.15 -0.06 2.32 0.00 -0.84 -1.43 107.32 106.35 1n1y s GLY 115 Ca 0.29 -0.62 0.05 0.00 0.00 0.00 0.00 44.72 44.44 1n1y s GLY 115 CO 0.06 -0.15 -0.21 -0.45 0.00 0.00 0.00 173.10 172.34 1n1y s SER 116 N -0.54 2.69 0.07 1.64 0.15 -0.59 -1.38 113.70 115.74 1n1y s SER 116 Ca 0.14 -0.46 0.03 0.00 0.70 0.00 0.00 55.95 56.36 1n1y s SER 116 Cb -0.12 -0.87 -0.03 0.00 -1.71 0.00 0.00 66.02 63.29 1n1y s SER 116 CO 0.03 0.18 -0.09 -0.36 1.20 0.00 0.00 173.24 174.20 1n1y s PHE 117 N 0.05 0.86 -0.19 3.44 0.40 -0.45 -2.03 117.98 120.06 1n1y s PHE 117 Ca -0.07 -0.59 -0.11 0.00 -0.60 0.00 0.00 56.93 55.56 1n1y s PHE 117 Cb -0.14 -0.49 -0.08 0.00 0.51 0.00 0.00 43.02 42.82 1n1y s PHE 117 CO 0.04 -0.06 -0.27 0.09 0.70 0.00 0.00 175.22 175.73 1n1y n ASN 118 N 1.03 1.54 0.00 1.36 3.02 -1.18 -1.79 115.26 119.25 1n1y n ASN 118 Ca -0.20 0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.62 1n1y n ASN 118 Cb 0.56 -0.62 0.00 0.00 -0.61 0.00 0.00 39.78 39.11 1n1y n ASN 118 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1n1y n LYS 119 N -4.01 3.57 -1.70 3.52 5.02 -1.26 -3.21 118.16 120.09 1n1y n LYS 119 Ca -0.34 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.56 1n1y n LYS 119 Cb 0.69 -0.55 0.04 0.00 -0.02 0.00 0.00 35.03 35.19 1n1y n LYS 119 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1n1y n THR 120 N -0.48 3.67 0.42 -0.18 -2.24 -1.26 -4.91 114.28 109.30 1n1y n THR 120 Ca 0.00 -0.50 0.04 0.00 -2.27 0.00 0.00 64.05 61.32 1n1y n THR 120 Cb 0.00 -1.51 -0.04 0.00 -2.10 0.00 0.00 70.33 66.68 1n1y n THR 120 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1n1y n ARG 121 N -0.89 3.79 -3.83 -0.78 1.74 -1.26 -4.93 116.66 110.50 1n1y n ARG 121 Ca 0.11 -0.07 -0.21 0.00 -0.77 0.00 0.00 57.85 56.91 1n1y n ARG 121 Cb 0.44 -0.94 -0.03 0.00 -1.02 0.00 0.00 32.46 30.92 1n1y n ARG 121 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1n1y s ASN 122 N -1.78 5.74 0.72 0.55 4.22 -1.26 -4.87 114.94 118.26 1n1y s ASN 122 Ca 0.04 -0.24 -0.13 0.00 -2.14 0.00 0.00 52.86 50.39 1n1y s ASN 122 Cb 0.07 -1.33 0.03 0.00 1.28 0.00 0.00 41.25 41.30 1n1y s ASN 122 CO 0.35 -0.24 1.12 -0.94 -2.04 0.00 0.00 177.10 175.36 1n1y s SER 123 N -4.00 4.62 0.14 3.54 1.04 -1.26 -4.91 113.70 112.87 1n1y s SER 123 Ca 0.39 2.01 -0.18 0.00 0.48 0.00 0.00 55.95 58.64 1n1y s SER 123 Cb -0.08 -2.55 0.02 0.00 0.10 0.00 0.00 66.02 63.51 1n1y s SER 123 CO 0.28 -1.96 1.71 4.11 0.98 0.00 0.00 173.24 178.35 1n1y h TRP 124 N -0.52 -0.06 0.00 5.02 5.08 -2.00 -1.91 115.95 121.56 1n1y h TRP 124 Ca -0.46 0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.54 1n1y h TRP 124 Cb 1.25 0.07 0.00 0.00 -3.00 0.00 0.00 29.16 27.48 1n1y h TRP 124 CO 0.54 -0.07 0.00 0.25 -1.28 0.00 0.00 178.44 177.88 1n1y n THR 125 N -5.18 1.47 -0.27 0.12 -2.24 -1.26 -2.30 114.28 104.63 1n1y n THR 125 Ca -0.01 0.51 0.06 0.00 -2.27 0.00 0.00 64.05 62.35 1n1y n THR 125 Cb 0.15 -1.47 0.18 0.00 -2.10 0.00 0.00 70.33 67.09 1n1y n THR 125 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n1y n GLN 126 N -1.79 2.89 -1.15 -0.78 3.00 -0.72 -4.46 117.38 114.37 1n1y n GLN 126 Ca 0.00 -2.18 -0.31 0.00 -0.01 0.00 0.00 57.00 54.50 1n1y n GLN 126 Cb 0.05 -1.35 0.11 0.00 0.00 0.00 0.00 30.24 29.05 1n1y n GLN 126 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 1n1y s HIS 127 N -1.16 2.26 0.06 1.08 3.76 -0.97 -4.94 115.29 115.38 1n1y s HIS 127 Ca 0.27 1.63 -0.18 0.00 -0.15 0.00 0.00 55.06 56.63 1n1y s HIS 127 Cb 0.15 -3.17 -0.13 0.00 1.11 0.00 0.00 32.58 30.54 1n1y s HIS 127 CO 0.17 -2.14 1.35 0.07 -0.85 0.00 0.00 174.74 173.34 1n1y h ARG 128 N -1.19 0.48 0.00 1.40 -0.00 -1.95 -3.48 114.38 109.64 1n1y h ARG 128 Ca -0.44 -0.27 0.00 0.00 -0.00 0.00 0.00 59.98 59.27 1n1y h ARG 128 Cb 1.25 0.02 0.00 0.00 -0.00 0.00 0.00 29.97 31.23 1n1y h ARG 128 CO 0.49 0.85 0.00 -0.40 -0.00 0.00 0.00 179.97 180.90 1n1y n ASP 129 N -4.43 0.00 -1.08 0.08 5.68 -1.26 -5.07 116.55 110.46 1n1y n ASP 129 Ca -0.06 -0.03 0.08 0.00 -0.50 0.00 0.00 54.79 54.29 1n1y n ASP 129 Cb 0.42 0.00 0.28 0.00 -1.14 0.00 0.00 41.12 40.68 1n1y n ASP 129 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1n1y n GLY 130 N 0.00 3.68 0.31 6.12 0.00 -1.26 -4.68 105.19 109.36 1n1y n GLY 130 Ca 0.00 -0.96 0.21 0.00 0.00 0.00 0.00 46.02 45.27 1n1y n GLY 130 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1n1y h SER 131 N 2.33 0.00 0.26 1.61 4.64 -1.97 -2.50 113.55 117.91 1n1y h SER 131 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1n1y h SER 131 Cb 1.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.57 1n1y h SER 131 CO 0.25 0.00 -0.82 -0.67 -0.87 0.00 0.00 176.83 174.73 1n1y n ASP 132 N -3.07 0.73 -4.70 4.97 2.03 -1.26 -4.98 116.55 110.27 1n1y n ASP 132 Ca -0.02 -0.57 -0.29 0.00 0.52 0.00 0.00 54.79 54.43 1n1y n ASP 132 Cb 0.17 0.68 -0.08 0.00 -0.72 0.00 0.00 41.12 41.17 1n1y n ASP 132 CO 0.00 0.00 0.00 0.86 -1.92 0.00 0.00 177.20 176.14 1n1y s TRP 133 N -3.03 2.99 -0.14 -0.67 -0.00 -0.94 -3.10 118.94 114.04 1n1y s TRP 133 Ca 0.08 -0.04 -0.13 0.00 -0.00 0.00 0.00 56.10 56.01 1n1y s TRP 133 Cb 0.16 -1.51 0.04 0.00 -0.00 0.00 0.00 33.47 32.16 1n1y s TRP 133 CO 0.79 0.49 0.38 -1.21 -0.00 0.00 0.00 176.95 177.40 1n1y s GLU 134 N -2.53 0.44 -0.43 5.86 2.02 -0.86 -5.00 118.70 118.20 1n1y s GLU 134 Ca 0.27 0.53 -0.20 0.00 0.02 0.00 0.00 54.97 55.59 1n1y s GLU 134 Cb -0.11 0.21 0.02 0.00 0.10 0.00 0.00 34.13 34.35 1n1y s GLU 134 CO 0.19 -0.06 0.58 -1.25 0.02 0.00 0.00 175.26 174.75 1n1y s PRO 135 N 0.24 3.22 -0.13 0.39 0.05 -1.26 -1.55 135.00 135.96 1n1y s PRO 135 Ca -0.00 -0.50 -0.07 0.00 0.05 0.00 0.00 61.00 60.48 1n1y s PRO 135 Cb -0.03 -3.96 -0.04 0.00 0.05 0.00 0.00 34.50 30.52 1n1y s PRO 135 CO 0.00 -0.97 0.11 -0.51 0.05 0.00 0.00 177.00 175.69 1n1y s LEU 136 N 2.61 4.21 -0.15 -3.56 1.43 -0.51 -1.12 118.68 121.59 1n1y s LEU 136 Ca 0.19 0.36 -0.00 0.00 -1.03 0.00 0.00 54.13 53.65 1n1y s LEU 136 Cb -0.15 -2.03 -0.01 0.00 0.03 0.00 0.00 46.19 44.03 1n1y s LEU 136 CO 0.17 0.36 -0.13 -0.22 0.23 0.00 0.00 176.35 176.76 1n1y s LEU 137 N -0.72 2.63 -0.04 1.79 2.96 0.87 -1.48 118.68 124.70 1n1y s LEU 137 Ca 0.13 -0.39 0.04 0.00 -0.22 0.00 0.00 54.13 53.69 1n1y s LEU 137 Cb -0.12 -1.60 -0.00 0.00 0.50 0.00 0.00 46.19 44.97 1n1y s LEU 137 CO 0.03 0.12 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.32 1n1y s VAL 138 N 0.61 1.38 -0.13 1.68 1.01 0.13 -1.73 120.40 123.35 1n1y s VAL 138 Ca -0.08 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.19 1n1y s VAL 138 Cb -0.16 -1.18 -0.02 0.00 0.00 0.00 0.00 36.38 35.02 1n1y s VAL 138 CO 0.03 0.40 -0.08 -0.69 0.00 0.00 0.00 175.10 174.75 1n1y s VAL 139 N -0.02 3.51 -0.03 2.92 1.01 -1.26 0.04 120.40 126.58 1n1y s VAL 139 Ca -0.02 -0.51 0.08 0.00 0.00 0.00 0.00 61.98 61.53 1n1y s VAL 139 Cb -0.10 -2.49 -0.02 0.00 0.00 0.00 0.00 36.38 33.76 1n1y s VAL 139 CO 0.02 0.53 -0.26 -0.83 0.00 0.00 0.00 175.10 174.56 1n1y s GLY 140 N 0.13 1.26 -0.11 4.51 0.00 0.79 -1.76 107.32 112.15 1n1y s GLY 140 Ca -0.04 -1.09 0.03 0.00 0.00 0.00 0.00 44.72 43.62 1n1y s GLY 140 CO 0.04 -0.86 -0.22 1.85 0.00 0.00 0.00 173.10 173.90 1n1y s GLU 141 N -0.51 3.12 -0.18 2.90 2.12 -0.42 0.61 118.70 126.33 1n1y s GLU 141 Ca 0.07 -0.84 -0.07 0.00 0.36 0.00 0.00 54.97 54.49 1n1y s GLU 141 Cb -0.11 -2.37 -0.04 0.00 0.26 0.00 0.00 34.13 31.88 1n1y s GLU 141 CO -0.00 0.19 0.06 0.08 -0.54 0.00 0.00 175.26 175.05 1n1y s VAL 142 N 0.34 4.78 -0.09 3.70 1.01 -0.52 -1.83 120.40 127.79 1n1y s VAL 142 Ca -0.17 -0.04 0.02 0.00 0.00 0.00 0.00 61.98 61.79 1n1y s VAL 142 Cb -0.18 -3.15 0.01 0.00 0.00 0.00 0.00 36.38 33.07 1n1y s VAL 142 CO 0.08 0.47 -0.15 -0.89 0.00 0.00 0.00 175.10 174.61 1n1y s THR 143 N 0.32 1.42 -0.13 3.92 2.01 -1.01 -4.92 115.64 117.24 1n1y s THR 143 Ca 0.03 -0.62 -0.07 0.00 0.31 0.00 0.00 61.69 61.35 1n1y s THR 143 Cb -0.12 -1.29 -0.04 0.00 0.01 0.00 0.00 72.50 71.06 1n1y s THR 143 CO 0.00 0.42 0.11 -0.54 -0.69 0.00 0.00 174.62 173.93 1n1y s LYS 144 N 0.80 3.54 0.00 4.92 1.02 -1.26 -2.46 119.74 126.30 1n1y s LYS 144 Ca -0.11 -0.20 0.00 0.00 0.02 0.00 0.00 55.97 55.68 1n1y s LYS 144 Cb -0.16 -3.17 0.00 0.00 -0.52 0.00 0.00 37.83 33.98 1n1y s LYS 144 CO 0.02 0.65 0.00 -1.13 -0.92 0.00 0.00 175.35 173.97 1n1y n SER 145 N 2.37 1.04 0.00 2.83 3.41 -1.05 -5.04 113.62 117.18 1n1y n SER 145 Ca -0.19 -0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.22 1n1y n SER 145 Cb 0.54 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 1n1y n SER 145 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n1y n ALA 146 N -3.00 0.00 -1.35 7.33 0.00 -1.26 -3.76 120.51 118.47 1n1y n ALA 146 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1n1y n ALA 146 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1n1y n ALA 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n1y n ALA 147 N 0.00 0.00 -2.79 0.00 0.00 -0.91 -4.94 120.51 111.86 1n1y n ALA 147 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1n1y n ALA 147 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1n1y n ALA 147 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1n1y s ASN 148 N -1.00 6.34 0.00 0.00 6.03 -1.26 -4.46 114.94 120.59 1n1y s ASN 148 Ca 0.00 -1.26 0.00 0.00 -1.03 0.00 0.00 52.86 50.57 1n1y s ASN 148 Cb 0.00 -2.45 0.00 0.00 -3.03 0.00 0.00 41.25 35.77 1n1y s ASN 148 CO 0.00 -1.41 0.00 0.61 -2.03 0.00 0.00 177.10 174.27 1n1y n GLY 149 N 5.60 2.45 3.70 0.45 0.00 -1.26 -5.00 105.19 111.14 1n1y n GLY 149 Ca 0.10 -0.51 -0.41 0.00 0.00 0.00 0.00 46.02 45.20 1n1y n GLY 149 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n1y s LYS 150 N 0.00 4.47 0.06 1.61 3.01 -1.26 -5.05 119.74 122.57 1n1y s LYS 150 Ca 0.00 1.20 -0.12 0.00 -1.01 0.00 0.00 55.97 56.04 1n1y s LYS 150 Cb 0.00 -3.48 -0.06 0.00 -1.01 0.00 0.00 37.83 33.28 1n1y s LYS 150 CO 0.00 -0.09 0.41 0.99 0.51 0.00 0.00 175.35 177.17 1n1y s THR 151 N 1.25 5.06 0.31 2.17 2.01 -1.26 -2.15 115.64 123.03 1n1y s THR 151 Ca 0.45 0.61 0.03 0.00 0.31 0.00 0.00 61.69 63.09 1n1y s THR 151 Cb -0.19 -3.67 -0.05 0.00 0.01 0.00 0.00 72.50 68.60 1n1y s THR 151 CO 0.21 0.39 0.10 0.42 -0.69 0.00 0.00 174.62 175.05 1n1y s THR 152 N -1.29 0.72 -0.06 -0.82 -4.23 -1.25 -4.97 115.64 103.75 1n1y s THR 152 Ca 0.30 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.52 1n1y s THR 152 Cb -0.15 -2.62 0.06 0.00 1.34 0.00 0.00 72.50 71.14 1n1y s THR 152 CO 0.16 0.00 0.64 0.00 -0.54 0.00 0.00 174.62 174.88 1n1y s ALA 153 N -3.49 -1.65 0.23 3.99 0.00 -1.26 -2.53 121.76 117.05 1n1y s ALA 153 Ca 0.35 1.24 0.12 0.00 0.00 0.00 0.00 51.96 53.66 1n1y s ALA 153 Cb 0.07 -0.06 -0.05 0.00 0.00 0.00 0.00 23.12 23.08 1n1y s ALA 153 CO 0.15 -0.35 -0.22 0.95 0.00 0.00 0.00 175.76 176.28 1n1y s THR 154 N -1.11 2.38 -0.10 0.00 -4.23 -1.03 -5.02 115.64 106.54 1n1y s THR 154 Ca -0.11 -2.17 -0.01 0.00 -1.18 0.00 0.00 61.69 58.22 1n1y s THR 154 Cb -0.01 -2.18 0.03 0.00 1.34 0.00 0.00 72.50 71.68 1n1y s THR 154 CO 0.09 -0.23 -0.03 -0.63 -0.54 0.00 0.00 174.62 173.27 1n1y s ILE 155 N -2.01 0.69 -0.18 2.99 1.01 -1.26 -2.41 121.20 120.03 1n1y s ILE 155 Ca 0.24 -0.10 -0.06 0.00 0.00 0.00 0.00 60.65 60.73 1n1y s ILE 155 Cb -0.07 -0.79 -0.04 0.00 0.01 0.00 0.00 42.46 41.57 1n1y s ILE 155 CO 0.12 0.29 0.04 -0.55 0.00 0.00 0.00 174.94 174.84 1n1y s SER 156 N 1.84 5.41 -0.17 3.58 0.15 -0.76 -4.94 113.70 118.81 1n1y s SER 156 Ca 0.05 0.02 -0.03 0.00 0.70 0.00 0.00 55.95 56.69 1n1y s SER 156 Cb -0.13 -1.92 -0.02 0.00 -1.71 0.00 0.00 66.02 62.25 1n1y s SER 156 CO -0.07 0.17 -0.05 0.26 1.20 0.00 0.00 173.24 174.74 1n1y s TRP 157 N 0.41 2.96 1.05 3.44 0.52 -1.26 -1.30 118.94 124.77 1n1y s TRP 157 Ca 0.01 -0.54 -0.18 0.00 0.02 0.00 0.00 56.10 55.41 1n1y s TRP 157 Cb -0.13 -1.99 0.25 0.00 -1.15 0.00 0.00 33.47 30.45 1n1y s TRP 157 CO 0.01 -0.22 1.28 0.41 0.02 0.00 0.00 176.95 178.45 1n1y n GLY 158 N 3.93 -1.84 3.74 0.98 0.00 -0.72 -5.03 105.19 106.24 1n1y n GLY 158 Ca -0.18 -1.65 -0.40 0.00 0.00 0.00 0.00 46.02 43.78 1n1y n GLY 158 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n1y s LYS 159 N -5.82 4.65 0.34 1.61 1.02 -1.26 -4.75 119.74 115.53 1n1y s LYS 159 Ca 0.75 1.32 -0.29 0.00 0.02 0.00 0.00 55.97 57.78 1n1y s LYS 159 Cb -0.03 -3.35 -0.12 0.00 -0.52 0.00 0.00 37.83 33.81 1n1y s LYS 159 CO 0.54 0.30 1.45 -2.30 -0.92 0.00 0.00 175.35 174.41 1n1y n PRO 160 N 2.55 2.49 -5.12 -1.68 -0.02 -1.26 -4.86 135.00 127.10 1n1y n PRO 160 Ca -0.00 0.88 -0.29 0.00 -2.02 0.00 0.00 63.50 62.06 1n1y n PRO 160 Cb 0.49 -2.57 -0.16 0.00 -0.02 0.00 0.00 33.50 31.24 1n1y n PRO 160 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1n1y s VAL 161 N -0.81 1.83 0.12 -1.45 1.01 -0.70 -4.94 120.40 115.45 1n1y s VAL 161 Ca 0.57 -0.95 -0.15 0.00 0.00 0.00 0.00 61.98 61.45 1n1y s VAL 161 Cb -0.52 -1.55 -0.07 0.00 0.00 0.00 0.00 36.38 34.25 1n1y s VAL 161 CO 0.59 0.51 0.53 -0.55 0.00 0.00 0.00 175.10 176.19 1n1y s SER 162 N -0.18 6.84 0.00 3.32 0.15 -1.26 -0.09 113.70 122.48 1n1y s SER 162 Ca -0.01 1.07 0.19 0.00 0.70 0.00 0.00 55.95 57.89 1n1y s SER 162 Cb -0.12 -2.29 0.03 0.00 -1.71 0.00 0.00 66.02 61.93 1n1y s SER 162 CO 0.02 0.15 0.98 0.18 1.20 0.00 0.00 173.24 175.77 1n1y n LEU 163 N 1.01 1.96 -0.28 3.45 4.77 -0.28 -4.64 117.00 123.01 1n1y n LEU 163 Ca -0.07 -0.82 0.00 0.00 -0.03 0.00 0.00 56.01 55.09 1n1y n LEU 163 Cb 0.52 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.67 1n1y n LEU 163 CO 0.42 0.36 0.67 0.50 -1.33 0.00 0.00 177.39 178.01 1n1y h LYS 164 N 2.43 -0.04 0.00 3.23 3.64 -1.94 0.32 116.57 124.21 1n1y h LYS 164 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1n1y h LYS 164 Cb 0.66 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 1n1y h LYS 164 CO 0.00 -0.03 0.00 -2.30 -2.27 0.00 0.00 179.45 174.86 1n1y n PRO 165 N -5.50 0.00 0.00 1.90 -0.02 -1.26 -0.59 135.00 129.54 1n1y n PRO 165 Ca 0.10 0.02 0.04 0.00 -2.02 0.00 0.00 63.50 61.63 1n1y n PRO 165 Cb 0.40 -1.50 -0.02 0.00 -0.02 0.00 0.00 33.50 32.35 1n1y n PRO 165 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1n1y n LEU 166 N -0.96 0.81 -4.61 2.45 4.77 0.11 -4.96 117.00 114.61 1n1y n LEU 166 Ca 0.00 -0.66 -0.43 0.00 -0.03 0.00 0.00 56.01 54.89 1n1y n LEU 166 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1n1y n LEU 166 CO 0.00 0.17 1.08 0.12 -1.33 0.00 0.00 177.39 177.44 1n1y s PHE 167 N -1.41 2.76 0.72 -1.77 5.36 0.25 -5.01 117.98 118.87 1n1y s PHE 167 Ca 0.05 0.82 -0.16 0.00 -0.96 0.00 0.00 56.93 56.69 1n1y s PHE 167 Cb 0.06 -4.17 0.03 0.00 -0.34 0.00 0.00 43.02 38.60 1n1y s PHE 167 CO 0.25 -1.43 1.24 -2.14 -1.46 0.00 0.00 175.22 171.69 1n1y s PRO 168 N 4.36 2.17 0.04 10.12 0.02 -1.26 -4.91 135.00 145.53 1n1y s PRO 168 Ca 0.52 1.89 0.27 0.00 0.02 0.00 0.00 61.00 63.70 1n1y s PRO 168 Cb -0.11 -1.82 0.87 0.00 0.02 0.00 0.00 34.50 33.46 1n1y s PRO 168 CO 0.27 -1.85 1.69 0.00 -0.33 0.00 0.00 177.00 176.79 1n1y n ALA 169 N -2.54 2.76 -3.45 -1.55 0.00 -1.26 -4.70 120.51 109.76 1n1y n ALA 169 Ca 0.14 -0.18 -0.16 0.00 0.00 0.00 0.00 53.44 53.25 1n1y n ALA 169 Cb 0.49 -1.33 -0.07 0.00 0.00 0.00 0.00 19.45 18.54 1n1y n ALA 169 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1n1y s GLU 170 N -3.03 0.85 -0.12 0.00 1.03 -1.26 -1.64 118.70 114.54 1n1y s GLU 170 Ca 0.12 0.36 0.02 0.00 0.03 0.00 0.00 54.97 55.50 1n1y s GLU 170 Cb 0.17 0.40 0.01 0.00 -0.80 0.00 0.00 34.13 33.92 1n1y s GLU 170 CO 0.61 -0.22 -0.19 -0.06 -1.33 0.00 0.00 175.26 174.07 1n1y s PHE 171 N -0.71 2.34 -0.02 4.83 2.99 0.59 -4.87 117.98 123.13 1n1y s PHE 171 Ca -0.08 -1.13 -0.00 0.00 0.00 0.00 0.00 56.93 55.72 1n1y s PHE 171 Cb -0.03 -1.62 0.00 0.00 0.00 0.00 0.00 43.02 41.37 1n1y s PHE 171 CO 0.06 -0.53 0.01 -3.47 -0.00 0.00 0.00 175.22 171.29 1n1y n ASP 172 N 4.08 -0.11 0.00 1.36 4.64 -1.26 0.17 116.55 125.42 1n1y n ASP 172 Ca -0.20 -0.02 0.00 0.00 -1.38 0.00 0.00 54.79 53.20 1n1y n ASP 172 Cb 0.52 -0.04 0.00 0.00 -1.04 0.00 0.00 41.12 40.56 1n1y n ASP 172 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1n1y n GLY 173 N -0.41 1.80 3.70 0.27 0.00 -1.26 -4.99 105.19 104.30 1n1y n GLY 173 Ca -0.01 -0.22 -0.44 0.00 0.00 0.00 0.00 46.02 45.36 1n1y n GLY 173 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1n1y n ILE 174 N 0.00 0.21 -3.18 -0.61 5.41 0.44 -4.98 119.36 116.65 1n1y n ILE 174 Ca 0.00 -0.05 -0.39 0.00 1.00 0.00 0.00 62.75 63.31 1n1y n ILE 174 Cb 0.00 -1.75 -0.05 0.00 -0.71 0.00 0.00 39.64 37.12 1n1y n ILE 174 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1n1y s LEU 175 N 0.77 4.27 0.38 1.39 1.43 -1.26 -0.30 118.68 125.36 1n1y s LEU 175 Ca 0.75 0.96 -0.05 0.00 -1.03 0.00 0.00 54.13 54.75 1n1y s LEU 175 Cb -0.59 -2.87 -0.05 0.00 0.03 0.00 0.00 46.19 42.71 1n1y s LEU 175 CO 0.38 -0.09 0.67 0.42 0.23 0.00 0.00 176.35 177.96 1n1y s THR 176 N 0.91 4.96 0.08 5.49 -4.23 -0.65 -1.88 115.64 120.32 1n1y s THR 176 Ca 0.31 0.12 0.00 0.00 -1.18 0.00 0.00 61.69 60.94 1n1y s THR 176 Cb -0.16 -3.80 0.00 0.00 1.34 0.00 0.00 72.50 69.88 1n1y s THR 176 CO 0.13 -0.56 0.00 1.17 -0.54 0.00 0.00 174.62 174.82 1n1y n LYS 177 N -1.55 0.00 -4.15 3.99 4.81 -0.72 -4.53 118.16 116.01 1n1y n LYS 177 Ca -0.01 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.32 1n1y n LYS 177 Cb 0.55 -0.11 -0.09 0.00 0.02 0.00 0.00 35.03 35.40 1n1y n LYS 177 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1n1y s GLU 178 N -1.40 1.18 0.02 1.64 2.02 -1.11 -4.56 118.70 116.48 1n1y s GLU 178 Ca 0.00 -1.52 -0.25 0.00 0.02 0.00 0.00 54.97 53.23 1n1y s GLU 178 Cb 0.00 0.30 0.06 0.00 0.10 0.00 0.00 34.13 34.58 1n1y s GLU 178 CO 0.00 -0.40 0.56 -0.59 0.02 0.00 0.00 175.26 174.85 1n1y s PHE 179 N -4.11 -0.49 0.21 1.61 -0.12 -1.26 -1.48 117.98 112.33 1n1y s PHE 179 Ca 0.33 0.66 -0.08 0.00 -0.05 0.00 0.00 56.93 57.79 1n1y s PHE 179 Cb 0.06 0.36 -0.02 0.00 -0.63 0.00 0.00 43.02 42.79 1n1y s PHE 179 CO 0.09 -0.62 0.31 0.08 -0.05 0.00 0.00 175.22 175.03 1n1y s VAL 180 N -2.00 0.02 1.07 -2.49 1.01 -0.83 -4.77 120.40 112.41 1n1y s VAL 180 Ca -0.08 -1.58 -0.13 0.00 0.00 0.00 0.00 61.98 60.19 1n1y s VAL 180 Cb -0.01 -2.17 0.23 0.00 0.00 0.00 0.00 36.38 34.43 1n1y s VAL 180 CO 0.02 -0.10 1.08 -0.83 0.00 0.00 0.00 175.10 175.27 1n1y s GLY 181 N -3.04 1.55 0.00 4.51 0.00 -1.26 -0.09 107.32 108.99 1n1y s GLY 181 Ca 0.25 -0.41 0.30 0.00 0.00 0.00 0.00 44.72 44.86 1n1y s GLY 181 CO 0.07 0.26 2.00 0.61 0.00 0.00 0.00 173.10 176.05 1n1y n GLY 182 N -0.68 -0.69 0.17 0.20 0.00 0.68 -4.27 105.19 100.59 1n1y n GLY 182 Ca 0.05 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1n1y n GLY 182 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1n1y n VAL 183 N -0.64 -1.45 0.00 1.61 0.31 -1.26 -3.84 118.33 113.05 1n1y n VAL 183 Ca 0.20 0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.79 1n1y n VAL 183 Cb 0.22 -0.56 0.00 0.00 -0.91 0.00 0.00 33.84 32.59 1n1y n VAL 183 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1n1y n GLY 184 N -0.85 -1.89 3.72 2.92 0.00 -1.16 -4.85 105.19 103.09 1n1y n GLY 184 Ca 0.00 -2.07 -0.42 0.00 0.00 0.00 0.00 46.02 43.54 1n1y n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n1y s ALA 185 N -1.92 3.33 0.00 4.61 0.00 -1.26 -1.48 121.76 125.04 1n1y s ALA 185 Ca 0.00 0.76 0.00 0.00 0.00 0.00 0.00 51.96 52.72 1n1y s ALA 185 Cb 0.00 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.74 1n1y s ALA 185 CO 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 175.76 175.48 1n1y n ALA 186 N 3.26 0.00 -2.46 0.00 0.00 0.34 -4.75 120.51 116.90 1n1y n ALA 186 Ca 0.06 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.26 1n1y n ALA 186 Cb 0.47 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.84 1n1y n ALA 186 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1n1y s ILE 187 N 0.25 0.62 -0.29 0.00 -4.36 -1.24 -4.67 121.20 111.51 1n1y s ILE 187 Ca 0.00 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.41 1n1y s ILE 187 Cb 0.00 -2.46 0.08 0.00 1.25 0.00 0.00 42.46 41.33 1n1y s ILE 187 CO 0.00 0.00 0.01 -0.69 0.24 0.00 0.00 174.94 174.50 1n1y s VAL 188 N -3.32 1.70 0.41 8.37 1.01 -1.26 -2.53 120.40 124.78 1n1y s VAL 188 Ca 0.29 -1.68 -0.26 0.00 0.00 0.00 0.00 61.98 60.32 1n1y s VAL 188 Cb 0.04 -2.12 -0.09 0.00 0.00 0.00 0.00 36.38 34.21 1n1y s VAL 188 CO 0.16 -0.39 1.39 0.00 0.00 0.00 0.00 175.10 176.26 1n1y s ALA 189 N 1.25 3.33 0.59 5.51 0.00 0.89 -4.82 121.76 128.51 1n1y s ALA 189 Ca 0.03 1.40 0.36 0.00 0.00 0.00 0.00 51.96 53.75 1n1y s ALA 189 Cb -0.19 -3.55 1.27 0.00 0.00 0.00 0.00 23.12 20.65 1n1y s ALA 189 CO -0.11 -1.01 1.45 0.66 0.00 0.00 0.00 175.76 176.75 1n1y h SER 190 N 2.65 0.00 -0.09 0.00 4.64 -1.99 2.15 113.55 120.90 1n1y h SER 190 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1n1y h SER 190 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1n1y h SER 190 CO 0.62 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.12 1n1y n ASN 191 N -3.56 1.20 0.00 4.97 0.23 -1.26 -4.91 115.26 111.94 1n1y n ASN 191 Ca 0.30 -1.55 0.00 0.00 -0.53 0.00 0.00 54.58 52.80 1n1y n ASN 191 Cb 1.66 -0.05 0.00 0.00 -2.08 0.00 0.00 39.78 39.30 1n1y n ASN 191 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1n1y n GLY 192 N 1.07 0.56 3.77 4.83 0.00 0.72 -5.06 105.19 111.08 1n1y n GLY 192 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1n1y n GLY 192 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1n1y s ASN 193 N -2.63 6.88 -0.20 1.61 -0.87 -1.09 -4.74 114.94 113.90 1n1y s ASN 193 Ca 0.00 2.59 -0.22 0.00 -1.57 0.00 0.00 52.86 53.66 1n1y s ASN 193 Cb 0.00 -2.64 -0.02 0.00 -0.02 0.00 0.00 41.25 38.57 1n1y s ASN 193 CO 0.00 -0.45 0.69 -0.76 -2.57 0.00 0.00 177.10 174.01 1n1y s LEU 194 N -1.74 4.14 -0.23 0.60 1.43 -0.87 -0.08 118.68 121.94 1n1y s LEU 194 Ca 0.48 0.92 0.02 0.00 -1.03 0.00 0.00 54.13 54.52 1n1y s LEU 194 Cb -0.38 -2.99 0.04 0.00 0.03 0.00 0.00 46.19 42.89 1n1y s LEU 194 CO 0.50 -0.33 -0.13 -0.69 0.23 0.00 0.00 176.35 175.93 1n1y s VAL 195 N 2.07 2.22 -0.23 -1.59 1.01 -1.05 -1.65 120.40 121.19 1n1y s VAL 195 Ca 0.31 -1.33 -0.07 0.00 0.00 0.00 0.00 61.98 60.89 1n1y s VAL 195 Cb -0.16 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 34.03 1n1y s VAL 195 CO 0.10 0.18 0.05 -0.31 0.00 0.00 0.00 175.10 175.13 1n1y s TYR 196 N 1.19 3.08 -0.07 5.22 4.12 0.88 -3.67 117.35 128.10 1n1y s TYR 196 Ca -0.03 -0.41 -0.29 0.00 0.02 0.00 0.00 57.07 56.35 1n1y s TYR 196 Cb -0.17 -2.19 -0.02 0.00 -1.52 0.00 0.00 41.96 38.06 1n1y s TYR 196 CO -0.08 -0.30 0.98 -1.25 0.02 0.00 0.00 175.55 174.92 1n1y s PRO 197 N 1.40 4.46 0.12 -1.71 0.04 -1.26 -0.87 135.00 137.17 1n1y s PRO 197 Ca 0.05 1.36 0.06 0.00 0.04 0.00 0.00 61.00 62.52 1n1y s PRO 197 Cb -0.15 -3.51 -0.04 0.00 0.04 0.00 0.00 34.50 30.84 1n1y s PRO 197 CO 0.03 -0.22 -0.15 0.14 0.04 0.00 0.00 177.00 176.84 1n1y s VAL 198 N 1.66 1.37 -0.16 -0.36 -7.23 -0.75 -0.23 120.40 114.70 1n1y s VAL 198 Ca 0.49 -1.66 -0.03 0.00 -1.81 0.00 0.00 61.98 58.96 1n1y s VAL 198 Cb -0.19 -1.50 -0.02 0.00 0.56 0.00 0.00 36.38 35.23 1n1y s VAL 198 CO 0.21 -0.35 -0.05 0.00 -0.31 0.00 0.00 175.10 174.59 1n1y s GLN 199 N -2.50 3.57 -0.08 4.82 -2.07 0.88 -1.94 119.66 122.34 1n1y s GLN 199 Ca 0.08 -0.57 0.01 0.00 -1.82 0.00 0.00 55.36 53.06 1n1y s GLN 199 Cb -0.06 -2.88 -0.03 0.00 -1.09 0.00 0.00 33.01 28.95 1n1y s GLN 199 CO 0.03 0.16 -0.09 0.42 -1.32 0.00 0.00 175.29 174.49 1n1y s ILE 200 N 0.57 3.50 -0.17 3.63 -1.09 0.86 -1.96 121.20 126.53 1n1y s ILE 200 Ca -0.04 -0.54 -0.02 0.00 -2.23 0.00 0.00 60.65 57.82 1n1y s ILE 200 Cb -0.15 -2.43 -0.01 0.00 -1.58 0.00 0.00 42.46 38.29 1n1y s ILE 200 CO 0.03 0.58 -0.10 0.00 -1.23 0.00 0.00 174.94 174.22 1n1y s ALA 201 N -0.56 2.67 0.78 9.38 0.00 -0.55 -1.68 121.76 131.80 1n1y s ALA 201 Ca 0.08 -1.03 -0.07 0.00 0.00 0.00 0.00 51.96 50.94 1n1y s ALA 201 Cb -0.12 -1.41 0.12 0.00 0.00 0.00 0.00 23.12 21.71 1n1y s ALA 201 CO 0.02 -0.08 1.09 0.16 0.00 0.00 0.00 175.76 176.95 1n1y s ASP 202 N 0.89 4.19 0.16 0.00 1.47 -0.34 -1.76 116.67 121.28 1n1y s ASP 202 Ca -0.02 0.14 -0.15 0.00 1.18 0.00 0.00 52.55 53.69 1n1y s ASP 202 Cb -0.15 -0.53 0.08 0.00 -0.34 0.00 0.00 42.92 41.98 1n1y s ASP 202 CO 0.00 -2.00 1.79 0.24 0.68 0.00 0.00 175.17 175.88 1n1y h MET 203 N -0.86 0.45 -0.12 2.11 2.86 -1.61 -2.46 114.93 115.30 1n1y h MET 203 Ca -0.42 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.20 1n1y h MET 203 Cb 1.28 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.84 1n1y h MET 203 CO 0.47 0.29 0.00 0.41 1.06 0.00 0.00 176.91 179.15 1n1y n GLY 204 N -1.23 -0.28 2.36 8.32 0.00 -1.26 -4.82 105.19 108.29 1n1y n GLY 204 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1n1y n GLY 204 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n1y n GLY 205 N 0.11 0.82 3.87 -0.02 0.00 -0.92 -5.04 105.19 104.00 1n1y n GLY 205 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1n1y n GLY 205 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n1y s ARG 206 N -0.12 3.70 0.05 1.61 0.52 -1.26 -4.83 118.95 118.62 1n1y s ARG 206 Ca 0.00 0.72 0.06 0.00 -0.52 0.00 0.00 55.73 55.99 1n1y s ARG 206 Cb 0.00 -2.15 -0.02 0.00 0.52 0.00 0.00 34.95 33.29 1n1y s ARG 206 CO 0.00 -0.41 -0.16 0.08 0.02 0.00 0.00 175.30 174.83 1n1y s VAL 207 N -2.92 1.29 0.25 3.52 1.01 -1.26 -1.20 120.40 121.09 1n1y s VAL 207 Ca 0.55 -1.15 -0.21 0.00 0.00 0.00 0.00 61.98 61.17 1n1y s VAL 207 Cb -0.11 -1.17 0.03 0.00 0.00 0.00 0.00 36.38 35.14 1n1y s VAL 207 CO 0.45 0.00 0.69 0.72 0.00 0.00 0.00 175.10 176.96 1n1y s PHE 208 N -0.94 -0.25 0.21 5.22 -0.12 -0.68 -1.02 117.98 120.40 1n1y s PHE 208 Ca 0.03 -0.15 0.09 0.00 -0.05 0.00 0.00 56.93 56.84 1n1y s PHE 208 Cb -0.09 0.67 -0.04 0.00 -0.63 0.00 0.00 43.02 42.93 1n1y s PHE 208 CO 0.02 -1.16 -0.06 0.95 -0.05 0.00 0.00 175.22 174.93 1n1y s THR 209 N -3.89 3.31 0.31 -4.49 -4.23 -1.26 -0.10 115.64 105.29 1n1y s THR 209 Ca 0.09 -1.76 -0.16 0.00 -1.18 0.00 0.00 61.69 58.69 1n1y s THR 209 Cb -0.05 -2.69 0.02 0.00 1.34 0.00 0.00 72.50 71.12 1n1y s THR 209 CO 0.03 -0.22 0.66 -0.75 -0.54 0.00 0.00 174.62 173.80 1n1y s LYS 210 N -3.17 1.87 -0.10 3.99 2.20 -0.82 -2.43 119.74 121.29 1n1y s LYS 210 Ca 0.28 -1.26 -0.02 0.00 -0.36 0.00 0.00 55.97 54.60 1n1y s LYS 210 Cb -0.08 0.56 -0.03 0.00 -1.51 0.00 0.00 37.83 36.77 1n1y s LYS 210 CO 0.17 -0.84 0.00 0.42 -0.36 0.00 0.00 175.35 174.74 1n1y s ILE 211 N -3.40 4.29 -0.11 5.43 -1.09 -1.26 -1.80 121.20 123.25 1n1y s ILE 211 Ca 0.17 -0.25 -0.00 0.00 -2.23 0.00 0.00 60.65 58.34 1n1y s ILE 211 Cb -0.04 -2.82 0.03 0.00 -1.58 0.00 0.00 42.46 38.05 1n1y s ILE 211 CO 0.10 0.59 -0.07 -0.32 -1.23 0.00 0.00 174.94 174.00 1n1y s MET 212 N -0.69 1.51 0.28 2.79 -2.45 -0.05 -1.50 119.30 119.19 1n1y s MET 212 Ca 0.11 -0.25 0.02 0.00 -1.25 0.00 0.00 55.69 54.32 1n1y s MET 212 Cb -0.12 -1.58 -0.05 0.00 1.25 0.00 0.00 34.83 34.33 1n1y s MET 212 CO 0.02 -0.27 0.11 1.52 1.05 0.00 0.00 175.02 177.46 1n1y s TYR 213 N 1.71 1.57 -0.07 4.11 1.13 -0.51 -0.09 117.35 125.21 1n1y s TYR 213 Ca 0.05 -1.23 -0.03 0.00 -1.41 0.00 0.00 57.07 54.45 1n1y s TYR 213 Cb -0.13 -0.91 0.04 0.00 -1.10 0.00 0.00 41.96 39.87 1n1y s TYR 213 CO -0.08 -0.38 0.14 0.45 -2.51 0.00 0.00 175.55 173.18 1n1y s SER 214 N -3.35 0.01 0.00 -0.18 0.15 -0.66 -0.81 113.70 108.87 1n1y s SER 214 Ca 0.37 0.29 0.25 0.00 0.70 0.00 0.00 55.95 57.56 1n1y s SER 214 Cb 0.07 0.19 0.57 0.00 -1.71 0.00 0.00 66.02 65.13 1n1y s SER 214 CO 0.15 -0.16 1.45 -0.62 1.20 0.00 0.00 173.24 175.25 1n1y n GLU 215 N 4.36 0.87 -2.13 5.44 1.02 -1.26 -2.04 120.64 126.90 1n1y n GLU 215 Ca -0.24 -0.57 -0.18 0.00 -0.02 0.00 0.00 57.16 56.15 1n1y n GLU 215 Cb 0.51 -1.49 0.03 0.00 -0.02 0.00 0.00 31.44 30.48 1n1y n GLU 215 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1n1y n ASP 216 N -0.57 4.15 -2.44 1.62 3.85 -1.26 -4.94 116.55 116.96 1n1y n ASP 216 Ca 0.11 -3.41 -0.15 0.00 -0.71 0.00 0.00 54.79 50.63 1n1y n ASP 216 Cb 0.37 -0.37 -0.01 0.00 -1.35 0.00 0.00 41.12 39.76 1n1y n ASP 216 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 1n1y n ASP 217 N -0.69 -4.53 0.00 -1.12 10.43 -1.26 -3.06 116.55 116.31 1n1y n ASP 217 Ca 0.36 0.12 0.00 0.00 2.57 0.00 0.00 54.79 57.84 1n1y n ASP 217 Cb 0.93 -3.82 0.00 0.00 1.84 0.00 0.00 41.12 40.07 1n1y n ASP 217 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1n1y n GLY 218 N -0.88 1.40 0.19 0.44 0.00 -1.26 -5.01 105.19 100.07 1n1y n GLY 218 Ca -0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 1n1y n GLY 218 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1n1y h ASN 219 N 0.00 -0.32 -1.99 1.61 4.21 -1.97 -3.46 115.58 113.65 1n1y h ASN 219 Ca 0.00 -0.20 -0.60 0.00 1.21 0.00 0.00 56.30 56.71 1n1y h ASN 219 Cb 0.00 0.08 -0.12 0.00 -1.12 0.00 0.00 38.32 37.16 1n1y h ASN 219 CO 0.00 0.07 -0.67 0.42 -1.29 0.00 0.00 177.43 175.96 1n1y s THR 220 N -4.46 2.47 -0.04 2.81 -4.23 -1.26 -5.12 115.64 105.81 1n1y s THR 220 Ca -0.14 -2.15 -0.02 0.00 -1.18 0.00 0.00 61.69 58.20 1n1y s THR 220 Cb 0.02 -2.65 0.02 0.00 1.34 0.00 0.00 72.50 71.23 1n1y s THR 220 CO 0.53 -0.24 0.09 0.26 -0.54 0.00 0.00 174.62 174.72 1n1y s TRP 221 N -2.55 -0.09 0.13 3.99 0.52 -1.26 -4.47 118.94 115.22 1n1y s TRP 221 Ca 0.33 0.28 0.11 0.00 0.02 0.00 0.00 56.10 56.83 1n1y s TRP 221 Cb -0.00 -0.06 -0.04 0.00 -1.15 0.00 0.00 33.47 32.22 1n1y s TRP 221 CO 0.17 -0.09 -0.27 0.15 0.02 0.00 0.00 176.95 176.94 1n1y s LYS 222 N 0.58 1.40 -0.25 4.98 1.02 0.01 -4.96 119.74 122.52 1n1y s LYS 222 Ca -0.04 -1.35 -0.08 0.00 0.02 0.00 0.00 55.97 54.52 1n1y s LYS 222 Cb -0.06 -1.90 -0.03 0.00 -0.52 0.00 0.00 37.83 35.32 1n1y s LYS 222 CO -0.02 0.45 0.09 -0.06 -0.92 0.00 0.00 175.35 174.88 1n1y s PHE 223 N -1.07 3.11 0.87 3.18 0.40 -1.26 -1.43 117.98 121.78 1n1y s PHE 223 Ca 0.14 -0.33 -0.11 0.00 -0.60 0.00 0.00 56.93 56.02 1n1y s PHE 223 Cb -0.10 -2.25 0.12 0.00 0.51 0.00 0.00 43.02 41.30 1n1y s PHE 223 CO 0.06 -0.31 1.17 0.00 0.70 0.00 0.00 175.22 176.84 1n1y s ALA 224 N 1.59 1.62 0.13 5.36 0.00 -0.56 -4.95 121.76 124.94 1n1y s ALA 224 Ca 0.06 0.69 0.04 0.00 0.00 0.00 0.00 51.96 52.76 1n1y s ALA 224 Cb -0.15 -3.47 -0.14 0.00 0.00 0.00 0.00 23.12 19.36 1n1y s ALA 224 CO 0.05 -2.58 1.30 0.93 0.00 0.00 0.00 175.76 175.45 1n1y h GLU 225 N -1.50 0.09 -7.31 0.00 5.08 -1.78 -3.44 114.58 105.72 1n1y h GLU 225 Ca -0.44 -0.13 -0.41 0.00 -1.00 0.00 0.00 59.36 57.37 1n1y h GLU 225 Cb 1.28 0.05 0.19 0.00 0.50 0.00 0.00 28.75 30.77 1n1y h GLU 225 CO 0.43 1.00 0.09 0.20 -1.00 0.00 0.00 179.01 179.73 1n1y s GLY 226 N -4.64 1.55 0.02 -3.84 0.00 -0.92 -5.02 107.32 94.47 1n1y s GLY 226 Ca -0.01 -0.80 -0.29 0.00 0.00 0.00 0.00 44.72 43.62 1n1y s GLY 226 CO 0.83 0.06 1.09 1.09 0.00 0.00 0.00 173.10 176.18 1n1y s ARG 227 N -5.23 0.75 0.60 2.90 1.70 -1.26 -4.71 118.95 113.70 1n1y s ARG 227 Ca 0.70 -0.38 0.02 0.00 -0.47 0.00 0.00 55.73 55.59 1n1y s ARG 227 Cb -0.13 0.28 0.12 0.00 -0.57 0.00 0.00 34.95 34.65 1n1y s ARG 227 CO 0.57 -0.34 0.82 -1.13 -1.08 0.00 0.00 175.30 174.15 1n1y n SER 228 N -0.39 1.29 -4.85 -2.89 3.41 -1.02 -4.87 113.62 104.30 1n1y n SER 228 Ca -0.06 -2.05 -0.30 0.00 -0.26 0.00 0.00 58.87 56.20 1n1y n SER 228 Cb 0.61 -0.52 0.08 0.00 -0.26 0.00 0.00 64.21 64.13 1n1y n SER 228 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1n1y s LYS 229 N -4.63 2.14 0.36 4.33 1.02 -1.26 -4.75 119.74 116.96 1n1y s LYS 229 Ca 0.56 0.40 -0.27 0.00 0.02 0.00 0.00 55.97 56.68 1n1y s LYS 229 Cb -0.03 -1.94 -0.09 0.00 -0.52 0.00 0.00 37.83 35.24 1n1y s LYS 229 CO 0.37 -1.53 1.21 -0.06 -0.92 0.00 0.00 175.35 174.43 1n1y s PHE 230 N -3.34 3.12 0.00 3.18 0.40 -1.26 -3.53 117.98 116.55 1n1y s PHE 230 Ca 0.61 1.52 0.00 0.00 -0.60 0.00 0.00 56.93 58.46 1n1y s PHE 230 Cb -0.13 -3.50 0.00 0.00 0.51 0.00 0.00 43.02 39.91 1n1y s PHE 230 CO 0.52 -1.44 0.00 0.41 0.70 0.00 0.00 175.22 175.41 1n1y n GLY 231 N 0.79 1.58 3.75 4.36 0.00 -0.19 -5.02 105.19 110.46 1n1y n GLY 231 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 1n1y n GLY 231 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n1y s SER 233 N -0.47 1.36 -0.43 0.00 1.04 -0.40 -3.46 113.70 111.34 1n1y s SER 233 Ca 0.40 -1.65 -0.08 0.00 0.48 0.00 0.00 55.95 55.10 1n1y s SER 233 Cb -0.22 0.64 0.01 0.00 0.10 0.00 0.00 66.02 66.55 1n1y s SER 233 CO 0.26 -1.24 0.27 -0.62 0.98 0.00 0.00 173.24 172.89 1n1y n GLU 234 N -0.62 -0.67 -2.63 4.02 1.02 -1.26 -0.68 120.64 119.81 1n1y n GLU 234 Ca 0.04 -0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.85 1n1y n GLU 234 Cb 0.62 -0.68 -0.04 0.00 -0.02 0.00 0.00 31.44 31.31 1n1y n GLU 234 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1n1y s PRO 235 N -4.73 3.96 -0.01 3.49 0.04 -1.25 -3.78 135.00 132.72 1n1y s PRO 235 Ca 0.11 0.85 0.03 0.00 0.04 0.00 0.00 61.00 62.03 1n1y s PRO 235 Cb -0.06 -2.22 -0.00 0.00 0.04 0.00 0.00 34.50 32.25 1n1y s PRO 235 CO 0.39 -0.15 -0.10 0.00 0.04 0.00 0.00 177.00 177.19 1n1y s ALA 236 N -2.45 0.88 0.14 8.56 0.00 -0.71 -4.29 121.76 123.90 1n1y s ALA 236 Ca 0.57 -0.42 0.08 0.00 0.00 0.00 0.00 51.96 52.20 1n1y s ALA 236 Cb -0.10 -0.26 -0.04 0.00 0.00 0.00 0.00 23.12 22.72 1n1y s ALA 236 CO 0.27 0.19 -0.18 0.54 0.00 0.00 0.00 175.76 176.58 1n1y s VAL 237 N -0.09 1.73 0.26 0.00 0.11 -1.26 -0.84 120.40 120.31 1n1y s VAL 237 Ca 0.02 -1.80 -0.10 0.00 -2.93 0.00 0.00 61.98 57.17 1n1y s VAL 237 Cb -0.06 -1.73 -0.01 0.00 -1.53 0.00 0.00 36.38 33.06 1n1y s VAL 237 CO -0.00 -0.27 0.45 -1.48 -3.33 0.00 0.00 175.10 170.47 1n1y s LEU 238 N -2.46 0.53 -0.13 2.54 0.05 -1.02 -4.68 118.68 113.52 1n1y s LEU 238 Ca 0.13 -1.09 -0.01 0.00 0.05 0.00 0.00 54.13 53.20 1n1y s LEU 238 Cb -0.07 1.59 -0.02 0.00 -2.05 0.00 0.00 46.19 45.64 1n1y s LEU 238 CO 0.06 -1.16 -0.08 -0.70 -0.55 0.00 0.00 176.35 173.92 1n1y s GLU 239 N -3.80 3.37 -0.08 1.48 2.12 -1.26 -1.11 118.70 119.43 1n1y s GLU 239 Ca 0.26 -0.60 -0.03 0.00 0.36 0.00 0.00 54.97 54.96 1n1y s GLU 239 Cb 0.00 -2.73 0.04 0.00 0.26 0.00 0.00 34.13 31.71 1n1y s GLU 239 CO 0.12 0.31 0.16 -0.46 -0.54 0.00 0.00 175.26 174.85 1n1y s TRP 240 N 0.13 -0.19 -1.48 5.30 -0.11 0.23 -4.93 118.94 117.89 1n1y s TRP 240 Ca -0.04 0.59 -0.05 0.00 1.22 0.00 0.00 56.10 57.82 1n1y s TRP 240 Cb -0.14 -0.17 0.05 0.00 -1.50 0.00 0.00 33.47 31.71 1n1y s TRP 240 CO 0.04 -0.23 0.13 0.39 -4.62 0.00 0.00 176.95 172.65 1n1y n GLU 241 N 4.84 -0.90 0.00 5.86 1.02 -1.26 -0.67 120.64 129.54 1n1y n GLU 241 Ca -0.14 0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 1n1y n GLU 241 Cb 0.51 -3.49 0.00 0.00 -0.02 0.00 0.00 31.44 28.44 1n1y n GLU 241 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1n1y n GLY 242 N -2.09 3.05 3.79 0.62 0.00 -1.26 -5.05 105.19 104.25 1n1y n GLY 242 Ca -0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.59 1n1y n GLY 242 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n1y s LYS 243 N -0.81 2.44 -0.14 1.61 1.02 0.16 -4.76 119.74 119.26 1n1y s LYS 243 Ca 0.00 -1.57 -0.06 0.00 0.02 0.00 0.00 55.97 54.36 1n1y s LYS 243 Cb 0.00 -2.24 -0.04 0.00 -0.52 0.00 0.00 37.83 35.04 1n1y s LYS 243 CO 0.00 -0.02 0.07 -0.51 -0.92 0.00 0.00 175.35 173.97 1n1y s LEU 244 N -3.96 3.94 -0.20 3.17 1.43 -0.70 -0.60 118.68 121.77 1n1y s LEU 244 Ca 0.42 0.22 -0.02 0.00 -1.03 0.00 0.00 54.13 53.72 1n1y s LEU 244 Cb -0.02 -1.96 -0.00 0.00 0.03 0.00 0.00 46.19 44.24 1n1y s LEU 244 CO 0.25 0.30 -0.10 -0.63 0.23 0.00 0.00 176.35 176.40 1n1y s ILE 245 N -0.38 2.97 -0.28 -0.59 1.01 -0.26 -2.42 121.20 121.26 1n1y s ILE 245 Ca 0.09 -0.64 -0.06 0.00 0.00 0.00 0.00 60.65 60.05 1n1y s ILE 245 Cb -0.12 -2.32 0.01 0.00 0.01 0.00 0.00 42.46 40.04 1n1y s ILE 245 CO 0.02 0.47 0.04 -0.63 0.00 0.00 0.00 174.94 174.84 1n1y s ILE 246 N 1.28 3.73 -0.35 2.92 1.01 -0.74 -2.43 121.20 126.62 1n1y s ILE 246 Ca 0.03 -0.71 -0.07 0.00 0.00 0.00 0.00 60.65 59.91 1n1y s ILE 246 Cb -0.14 -2.89 0.05 0.00 0.01 0.00 0.00 42.46 39.48 1n1y s ILE 246 CO -0.05 0.14 0.13 0.21 0.00 0.00 0.00 174.94 175.38 1n1y s ASN 247 N 1.47 5.35 0.20 3.58 3.84 -0.02 -1.83 114.94 127.54 1n1y s ASN 247 Ca 0.03 -1.24 0.00 0.00 0.21 0.00 0.00 52.86 51.86 1n1y s ASN 247 Cb -0.17 -1.88 -0.04 0.00 -0.55 0.00 0.00 41.25 38.61 1n1y s ASN 247 CO 0.01 -0.37 0.38 0.20 -2.79 0.00 0.00 177.10 174.53 1n1y s ASN 248 N 1.52 6.37 0.12 -4.21 0.01 -0.85 -1.73 114.94 116.17 1n1y s ASN 248 Ca -0.01 0.35 -0.20 0.00 -0.71 0.00 0.00 52.86 52.29 1n1y s ASN 248 Cb -0.20 -1.99 -0.07 0.00 0.41 0.00 0.00 41.25 39.40 1n1y s ASN 248 CO 0.02 -0.04 0.63 -0.60 -1.51 0.00 0.00 177.10 175.61 1n1y s ARG 249 N -3.37 4.25 -0.35 -0.60 3.52 0.14 -4.18 118.95 118.36 1n1y s ARG 249 Ca 0.38 0.81 0.01 0.00 -0.13 0.00 0.00 55.73 56.79 1n1y s ARG 249 Cb -0.11 -3.15 0.14 0.00 -1.56 0.00 0.00 34.95 30.27 1n1y s ARG 249 CO 0.29 0.57 0.26 0.08 -0.81 0.00 0.00 175.30 175.69 1n1y s VAL 250 N -1.22 -0.05 0.04 7.11 1.01 -1.26 -1.27 120.40 124.76 1n1y s VAL 250 Ca 0.33 -1.37 -0.33 0.00 0.00 0.00 0.00 61.98 60.61 1n1y s VAL 250 Cb -0.19 -0.96 -0.12 0.00 0.00 0.00 0.00 36.38 35.11 1n1y s VAL 250 CO 0.21 -0.82 1.76 0.47 0.00 0.00 0.00 175.10 176.71 1n1y n ASP 251 N 4.24 3.43 -0.04 3.32 10.43 -1.26 -2.36 116.55 134.30 1n1y n ASP 251 Ca 0.10 1.01 -0.01 0.00 2.57 0.00 0.00 54.79 58.47 1n1y n ASP 251 Cb 0.40 -1.42 -0.00 0.00 1.84 0.00 0.00 41.12 41.94 1n1y n ASP 251 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1n1y n GLY 252 N 4.00 0.43 3.61 0.44 0.00 -1.00 -4.94 105.19 107.73 1n1y n GLY 252 Ca 0.20 -0.97 -0.04 0.00 0.00 0.00 0.00 46.02 45.21 1n1y n GLY 252 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1n1y s ASN 253 N -2.90 -0.17 0.92 1.61 3.04 -0.99 -4.60 114.94 111.85 1n1y s ASN 253 Ca 0.00 -0.10 -0.10 0.00 0.04 0.00 0.00 52.86 52.70 1n1y s ASN 253 Cb 0.00 0.25 0.15 0.00 -1.54 0.00 0.00 41.25 40.11 1n1y s ASN 253 CO 0.00 -0.44 1.14 -0.13 -3.04 0.00 0.00 177.10 174.64 1n1y s ARG 254 N -2.70 0.94 -0.01 0.43 0.52 -1.26 -4.58 118.95 112.28 1n1y s ARG 254 Ca 0.10 1.52 -0.29 0.00 -0.52 0.00 0.00 55.73 56.54 1n1y s ARG 254 Cb 0.01 -1.72 -0.03 0.00 0.52 0.00 0.00 34.95 33.72 1n1y s ARG 254 CO -0.04 -2.67 0.94 1.03 0.02 0.00 0.00 175.30 174.58 1n1y s ARG 255 N -4.64 4.54 -0.01 3.54 0.52 -0.34 -4.74 118.95 117.81 1n1y s ARG 255 Ca 0.67 1.34 -0.12 0.00 -0.52 0.00 0.00 55.73 57.10 1n1y s ARG 255 Cb -0.23 -3.46 -0.05 0.00 0.52 0.00 0.00 34.95 31.73 1n1y s ARG 255 CO 0.58 -0.05 0.35 -0.51 0.02 0.00 0.00 175.30 175.69 1n1y s LEU 256 N 1.04 4.44 -0.02 2.53 1.43 -1.26 -0.96 118.68 125.88 1n1y s LEU 256 Ca 0.50 0.84 0.03 0.00 -1.03 0.00 0.00 54.13 54.47 1n1y s LEU 256 Cb -0.20 -2.53 -0.00 0.00 0.03 0.00 0.00 46.19 43.48 1n1y s LEU 256 CO 0.26 0.32 -0.11 -0.69 0.23 0.00 0.00 176.35 176.37 1n1y s VAL 257 N -1.11 0.88 0.28 -1.59 1.01 -1.26 -2.00 120.40 116.61 1n1y s VAL 257 Ca 0.23 -0.44 0.07 0.00 0.00 0.00 0.00 61.98 61.84 1n1y s VAL 257 Cb -0.15 -0.76 -0.06 0.00 0.00 0.00 0.00 36.38 35.41 1n1y s VAL 257 CO 0.12 0.26 -0.06 -0.31 0.00 0.00 0.00 175.10 175.12 1n1y s TYR 258 N -0.02 1.95 0.20 5.22 1.51 -0.76 -1.03 117.35 124.42 1n1y s TYR 258 Ca 0.00 -0.70 0.08 0.00 -1.01 0.00 0.00 57.07 55.44 1n1y s TYR 258 Cb -0.07 -1.11 -0.05 0.00 -0.11 0.00 0.00 41.96 40.62 1n1y s TYR 258 CO 0.00 0.27 -0.16 -1.21 -1.11 0.00 0.00 175.55 173.34 1n1y s GLU 259 N -3.73 1.36 -0.30 -0.62 2.02 0.84 -1.79 118.70 116.48 1n1y s GLU 259 Ca 0.30 -1.56 -0.10 0.00 0.02 0.00 0.00 54.97 53.62 1n1y s GLU 259 Cb 0.04 -1.26 0.14 0.00 0.10 0.00 0.00 34.13 33.14 1n1y s GLU 259 CO 0.12 0.23 0.69 0.45 0.02 0.00 0.00 175.26 176.77 1n1y s SER 260 N -3.16 -1.09 0.00 -0.19 0.15 -1.01 -1.79 113.70 106.62 1n1y s SER 260 Ca 0.21 1.44 0.26 0.00 0.70 0.00 0.00 55.95 58.57 1n1y s SER 260 Cb -0.03 2.22 0.69 0.00 -1.71 0.00 0.00 66.02 67.19 1n1y s SER 260 CO 0.08 -0.21 1.53 -1.20 1.20 0.00 0.00 173.24 174.64 1n1y n SER 261 N 5.39 0.69 -2.86 5.45 7.64 -1.26 -1.72 113.62 126.94 1n1y n SER 261 Ca -0.11 -0.50 -0.24 0.00 1.01 0.00 0.00 58.87 59.02 1n1y n SER 261 Cb 0.50 0.15 -0.02 0.00 -1.01 0.00 0.00 64.21 63.82 1n1y n SER 261 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1n1y n ASP 262 N -1.11 3.68 -2.46 6.43 3.85 -1.26 -4.93 116.55 120.74 1n1y n ASP 262 Ca 0.09 -3.51 -0.08 0.00 -0.71 0.00 0.00 54.79 50.58 1n1y n ASP 262 Cb 0.34 -0.55 -0.00 0.00 -1.35 0.00 0.00 41.12 39.56 1n1y n ASP 262 CO 0.00 0.00 0.00 0.80 -1.01 0.00 0.00 177.20 176.99 1n1y n MET 263 N -0.19 -2.47 0.00 0.11 0.00 -1.26 -1.18 117.12 112.12 1n1y n MET 263 Ca 0.30 0.41 0.00 0.00 -0.00 0.00 0.00 57.70 58.41 1n1y n MET 263 Cb 0.53 -4.98 0.00 0.00 0.00 0.00 0.00 33.22 28.77 1n1y n MET 263 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1n1y n GLY 264 N -0.71 0.38 0.24 -5.12 0.00 -1.26 -4.82 105.19 93.90 1n1y n GLY 264 Ca -0.10 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.93 1n1y n GLY 264 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1n1y h LYS 265 N 3.20 0.40 -3.94 1.61 3.64 -1.53 -2.44 116.57 117.50 1n1y h LYS 265 Ca 0.00 -0.02 -0.31 0.00 -1.27 0.00 0.00 60.65 59.05 1n1y h LYS 265 Cb 0.00 -0.09 -0.30 0.00 -0.41 0.00 0.00 32.23 31.43 1n1y h LYS 265 CO 0.00 0.26 -0.74 -0.08 -2.27 0.00 0.00 179.45 176.62 1n1y s THR 266 N -6.08 0.23 -0.07 1.00 -1.32 -1.26 -2.99 115.64 105.14 1n1y s THR 266 Ca -0.13 -0.05 0.02 0.00 -1.21 0.00 0.00 61.69 60.32 1n1y s THR 266 Cb 0.18 -0.24 -0.03 0.00 -1.51 0.00 0.00 72.50 70.90 1n1y s THR 266 CO 0.75 0.10 -0.10 0.26 -2.21 0.00 0.00 174.62 173.42 1n1y s TRP 267 N 0.34 2.84 -0.04 9.09 0.52 -1.26 -4.44 118.94 126.00 1n1y s TRP 267 Ca -0.03 -0.10 0.04 0.00 0.02 0.00 0.00 56.10 56.03 1n1y s TRP 267 Cb -0.06 -1.70 -0.00 0.00 -1.15 0.00 0.00 33.47 30.56 1n1y s TRP 267 CO -0.01 0.23 -0.16 0.08 0.02 0.00 0.00 176.95 177.11 1n1y s VAL 268 N -0.66 1.33 0.33 4.03 1.01 -0.74 -4.95 120.40 120.75 1n1y s VAL 268 Ca 0.10 -0.67 -0.28 0.00 0.00 0.00 0.00 61.98 61.13 1n1y s VAL 268 Cb -0.11 -1.14 -0.10 0.00 0.00 0.00 0.00 36.38 35.03 1n1y s VAL 268 CO 0.01 0.39 1.25 -0.70 0.00 0.00 0.00 175.10 176.05 1n1y s GLU 269 N 0.02 4.37 -1.37 2.72 2.12 -1.26 -0.11 118.70 125.19 1n1y s GLU 269 Ca -0.03 2.08 -0.07 0.00 0.36 0.00 0.00 54.97 57.32 1n1y s GLU 269 Cb -0.11 -3.04 0.09 0.00 0.26 0.00 0.00 34.13 31.33 1n1y s GLU 269 CO 0.02 -0.13 2.38 0.00 -0.54 0.00 0.00 175.26 176.99 1n1y n ALA 270 N 0.78 6.64 0.30 6.30 0.00 -0.20 -4.72 120.51 129.60 1n1y n ALA 270 Ca 0.00 -4.03 0.19 0.00 0.00 0.00 0.00 53.44 49.60 1n1y n ALA 270 Cb 0.43 -2.94 0.89 0.00 0.00 0.00 0.00 19.45 17.83 1n1y n ALA 270 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1n1y h LEU 271 N 6.38 0.00 -3.38 0.00 3.38 -1.90 -2.08 115.31 117.72 1n1y h LEU 271 Ca 0.67 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.64 1n1y h LEU 271 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1n1y h LEU 271 CO 1.57 0.00 0.00 0.61 0.09 0.00 0.00 178.44 180.71 1n1y n GLY 272 N -0.51 3.23 0.00 0.83 0.00 -1.26 -4.28 105.19 103.20 1n1y n GLY 272 Ca -0.01 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.09 1n1y n GLY 272 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1n1y n THR 273 N 0.41 0.00 0.07 2.61 -2.24 -1.08 -4.88 114.28 109.17 1n1y n THR 273 Ca 0.25 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 62.06 1n1y n THR 273 Cb 1.03 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 69.21 1n1y n THR 273 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1n1y n LEU 274 N -0.87 0.07 -4.70 3.22 4.77 -1.19 -4.73 117.00 113.57 1n1y n LEU 274 Ca 0.00 -0.12 -0.43 0.00 -0.03 0.00 0.00 56.01 55.42 1n1y n LEU 274 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1n1y n LEU 274 CO 0.00 0.02 1.26 -0.24 -1.33 0.00 0.00 177.39 177.10 1n1y n SER 275 N -1.59 3.57 0.00 -1.43 2.88 -0.80 -2.11 113.62 114.14 1n1y n SER 275 Ca -0.01 1.09 0.00 0.00 -1.33 0.00 0.00 58.87 58.63 1n1y n SER 275 Cb 0.16 -1.52 0.00 0.00 -0.75 0.00 0.00 64.21 62.10 1n1y n SER 275 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1n1y n HIS 276 N 3.25 0.00 -0.04 0.66 8.25 -0.13 -4.88 115.22 122.33 1n1y n HIS 276 Ca 0.14 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.47 1n1y n HIS 276 Cb 0.33 -0.75 -0.08 0.00 1.12 0.00 0.00 29.99 30.61 1n1y n HIS 276 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1n1y h VAL 277 N 0.00 1.37 -2.89 1.59 2.07 -1.63 -3.43 116.25 113.33 1n1y h VAL 277 Ca 0.00 -1.29 -0.61 0.00 0.82 0.00 0.00 66.70 65.62 1n1y h VAL 277 Cb 0.30 2.01 -0.05 0.00 -1.52 0.00 0.00 31.29 32.03 1n1y h VAL 277 CO 0.00 0.37 -0.52 0.26 0.02 0.00 0.00 177.57 177.70 1n1y s TRP 278 N -4.22 3.43 0.04 1.57 0.51 -1.26 -1.65 118.94 117.35 1n1y s TRP 278 Ca -0.15 0.18 0.01 0.00 -2.12 0.00 0.00 56.10 54.02 1n1y s TRP 278 Cb 0.04 -1.70 -0.00 0.00 -0.81 0.00 0.00 33.47 31.00 1n1y s TRP 278 CO 0.73 0.56 0.04 -2.37 -0.51 0.00 0.00 176.95 175.40 1n1y n THR 279 N 0.13 0.00 0.76 2.01 5.66 -1.26 -1.20 114.28 120.38 1n1y n THR 279 Ca -0.06 -0.27 0.11 0.00 -3.05 0.00 0.00 64.05 60.77 1n1y n THR 279 Cb 0.52 0.14 -0.03 0.00 -1.55 0.00 0.00 70.33 69.41 1n1y n THR 279 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1n1y n ASN 280 N -2.73 0.70 0.00 1.09 6.94 -1.26 -4.94 115.26 115.06 1n1y n ASN 280 Ca 0.01 -0.54 0.00 0.00 -0.02 0.00 0.00 54.58 54.03 1n1y n ASN 280 Cb 0.07 0.93 0.00 0.00 -2.36 0.00 0.00 39.78 38.42 1n1y n ASN 280 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1n1y n SER 281 N -1.72 0.00 -0.34 0.53 3.41 -1.26 -4.63 113.62 109.60 1n1y n SER 281 Ca 0.03 0.00 0.17 0.00 -0.26 0.00 0.00 58.87 58.81 1n1y n SER 281 Cb 0.39 0.00 0.39 0.00 -0.26 0.00 0.00 64.21 64.73 1n1y n SER 281 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1n1y h PRO 282 N 0.00 0.57 0.00 4.33 0.11 -1.86 -0.10 132.00 135.05 1n1y h PRO 282 Ca 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1n1y h PRO 282 Cb 0.00 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 30.98 1n1y h PRO 282 CO 0.00 0.38 -0.84 0.25 -0.21 0.00 0.00 178.00 177.58 1n1y n THR 283 N -4.83 0.27 -1.49 -1.15 -2.24 -1.26 -4.81 114.28 98.77 1n1y n THR 283 Ca 0.26 -0.27 -0.16 0.00 -2.27 0.00 0.00 64.05 61.61 1n1y n THR 283 Cb 0.73 0.02 -0.07 0.00 -2.10 0.00 0.00 70.33 68.92 1n1y n THR 283 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1n1y n SER 284 N -2.06 -4.92 -0.02 3.42 7.64 -0.05 -4.85 113.62 112.78 1n1y n SER 284 Ca 0.02 0.38 0.03 0.00 1.01 0.00 0.00 58.87 60.31 1n1y n SER 284 Cb 0.44 -3.83 0.04 0.00 -1.01 0.00 0.00 64.21 59.85 1n1y n SER 284 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1n1y n ASN 285 N -0.59 2.09 -4.91 6.43 6.94 -1.26 -2.41 115.26 121.54 1n1y n ASN 285 Ca -0.16 -2.29 -0.21 0.00 -0.02 0.00 0.00 54.58 51.90 1n1y n ASN 285 Cb 0.53 -0.12 0.05 0.00 -2.36 0.00 0.00 39.78 37.89 1n1y n ASN 285 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 1n1y s GLN 286 N -1.51 2.33 0.36 -3.83 -1.52 -1.26 -4.60 119.66 109.63 1n1y s GLN 286 Ca 0.09 -1.07 -0.28 0.00 -1.95 0.00 0.00 55.36 52.14 1n1y s GLN 286 Cb 0.08 -2.52 -0.11 0.00 -0.22 0.00 0.00 33.01 30.24 1n1y s GLN 286 CO 0.01 -0.85 1.43 -1.14 -0.25 0.00 0.00 175.29 174.48 1n1y s GLN 287 N -4.78 4.18 0.19 2.91 0.74 -1.26 -2.38 119.66 119.26 1n1y s GLN 287 Ca 0.60 2.46 -0.01 0.00 0.05 0.00 0.00 55.36 58.46 1n1y s GLN 287 Cb -0.08 -2.99 0.04 0.00 1.10 0.00 0.00 33.01 31.07 1n1y s GLN 287 CO 0.39 -0.43 0.26 -3.47 -0.55 0.00 0.00 175.29 171.49 1n1y n ASP 288 N 0.55 0.27 -3.80 6.67 2.03 -1.26 -4.78 116.55 116.22 1n1y n ASP 288 Ca 0.01 -1.25 -0.10 0.00 0.52 0.00 0.00 54.79 53.97 1n1y n ASP 288 Cb 0.40 -0.17 -0.06 0.00 -0.72 0.00 0.00 41.12 40.57 1n1y n ASP 288 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1n1y s GLN 290 N -3.88 2.15 0.02 0.00 -0.44 -1.26 -4.84 119.66 111.42 1n1y s GLN 290 Ca 0.08 1.29 -0.13 0.00 -2.50 0.00 0.00 55.36 54.10 1n1y s GLN 290 Cb 0.03 -1.88 0.02 0.00 -1.64 0.00 0.00 33.01 29.54 1n1y s GLN 290 CO -0.07 -1.74 0.28 -1.12 0.50 0.00 0.00 175.29 173.14 1n1y s SER 291 N -3.10 -0.12 -0.07 6.67 0.01 -1.26 -4.73 113.70 111.09 1n1y s SER 291 Ca 0.63 -0.13 -0.05 0.00 1.31 0.00 0.00 55.95 57.72 1n1y s SER 291 Cb -0.19 0.33 -0.04 0.00 0.21 0.00 0.00 66.02 66.33 1n1y s SER 291 CO 0.54 -0.55 0.13 -0.94 0.41 0.00 0.00 173.24 172.83 1n1y s SER 292 N -1.81 6.20 -0.29 2.44 1.04 -1.26 -4.87 113.70 115.15 1n1y s SER 292 Ca -0.08 0.37 -0.04 0.00 0.48 0.00 0.00 55.95 56.68 1n1y s SER 292 Cb -0.02 -1.95 0.10 0.00 0.10 0.00 0.00 66.02 64.25 1n1y s SER 292 CO -0.01 0.35 0.13 0.12 0.98 0.00 0.00 173.24 174.81 1n1y s PHE 293 N -1.12 0.46 -0.01 5.02 5.36 -1.26 -2.57 117.98 123.87 1n1y s PHE 293 Ca 0.19 -0.97 0.04 0.00 -0.96 0.00 0.00 56.93 55.23 1n1y s PHE 293 Cb -0.12 -0.98 -0.01 0.00 -0.34 0.00 0.00 43.02 41.57 1n1y s PHE 293 CO 0.09 -0.83 -0.13 0.08 -1.46 0.00 0.00 175.22 172.97 1n1y s VAL 294 N 2.04 0.99 -0.11 3.12 1.01 -0.77 -4.69 120.40 122.00 1n1y s VAL 294 Ca 0.09 -0.55 -0.14 0.00 0.00 0.00 0.00 61.98 61.38 1n1y s VAL 294 Cb -0.16 -0.83 -0.05 0.00 0.00 0.00 0.00 36.38 35.34 1n1y s VAL 294 CO -0.35 0.27 0.35 0.00 0.00 0.00 0.00 175.10 175.37 1n1y s ALA 295 N -0.31 3.62 0.16 5.51 0.00 -1.26 -0.68 121.76 128.80 1n1y s ALA 295 Ca 0.05 -0.35 -0.05 0.00 0.00 0.00 0.00 51.96 51.61 1n1y s ALA 295 Cb -0.05 -2.41 -0.03 0.00 0.00 0.00 0.00 23.12 20.63 1n1y s ALA 295 CO -0.00 0.21 0.18 0.14 0.00 0.00 0.00 175.76 176.29 1n1y s VAL 296 N -0.02 0.07 -0.20 0.00 -7.23 -0.74 -5.01 120.40 107.27 1n1y s VAL 296 Ca 0.20 -1.69 -0.02 0.00 -1.81 0.00 0.00 61.98 58.66 1n1y s VAL 296 Cb -0.14 -2.04 -0.00 0.00 0.56 0.00 0.00 36.38 34.76 1n1y s VAL 296 CO 0.08 -0.31 -0.09 -0.89 -0.31 0.00 0.00 175.10 173.57 1n1y s THR 297 N -4.03 2.97 -0.10 5.32 2.01 -1.26 -0.66 115.64 119.88 1n1y s THR 297 Ca 0.23 -0.63 0.03 0.00 0.31 0.00 0.00 61.69 61.63 1n1y s THR 297 Cb 0.05 -2.32 0.00 0.00 0.01 0.00 0.00 72.50 70.25 1n1y s THR 297 CO 0.03 0.46 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.57 1n1y s ILE 298 N 1.35 1.96 -1.60 1.82 1.01 0.01 -4.72 121.20 121.04 1n1y s ILE 298 Ca 0.05 -0.95 -0.11 0.00 0.00 0.00 0.00 60.65 59.63 1n1y s ILE 298 Cb -0.14 -1.71 0.10 0.00 0.01 0.00 0.00 42.46 40.72 1n1y s ILE 298 CO -0.06 0.54 0.61 1.21 0.00 0.00 0.00 174.94 177.24 1n1y n GLU 299 N 3.68 -3.07 -1.12 2.79 4.07 -1.26 -0.46 120.64 125.27 1n1y n GLU 299 Ca -0.20 0.36 -0.04 0.00 -0.06 0.00 0.00 57.16 57.23 1n1y n GLU 299 Cb 0.53 -4.81 -0.02 0.00 -0.06 0.00 0.00 31.44 27.08 1n1y n GLU 299 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1n1y n GLY 300 N -1.67 0.69 3.03 8.31 0.00 -1.26 -5.01 105.19 109.28 1n1y n GLY 300 Ca -0.08 -0.47 -0.27 0.00 0.00 0.00 0.00 46.02 45.20 1n1y n GLY 300 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1n1y s LYS 301 N -1.85 1.95 -0.06 1.61 2.20 0.40 -5.11 119.74 118.88 1n1y s LYS 301 Ca 0.00 -0.48 -0.30 0.00 -0.36 0.00 0.00 55.97 54.83 1n1y s LYS 301 Cb 0.00 -1.66 -0.03 0.00 -1.51 0.00 0.00 37.83 34.63 1n1y s LYS 301 CO 0.00 -0.03 1.22 0.50 -0.36 0.00 0.00 175.35 176.68 1n1y s ARG 302 N 0.89 4.34 0.29 4.03 6.06 -1.26 -0.81 118.95 132.49 1n1y s ARG 302 Ca -0.10 1.70 0.05 0.00 -2.50 0.00 0.00 55.73 54.88 1n1y s ARG 302 Cb -0.15 -3.57 -0.03 0.00 0.06 0.00 0.00 34.95 31.25 1n1y s ARG 302 CO 0.01 -0.48 0.23 0.14 -2.50 0.00 0.00 175.30 172.70 1n1y s VAL 303 N 2.32 0.02 -0.06 7.11 -7.23 0.17 -4.88 120.40 117.85 1n1y s VAL 303 Ca 0.56 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.79 1n1y s VAL 303 Cb -0.25 -2.50 -0.01 0.00 0.56 0.00 0.00 36.38 34.18 1n1y s VAL 303 CO 0.22 0.00 -0.22 -0.04 -0.31 0.00 0.00 175.10 174.74 1n1y s MET 304 N -3.68 2.33 -0.16 4.82 -1.94 0.74 -1.79 119.30 119.62 1n1y s MET 304 Ca 0.40 -0.81 -0.05 0.00 -1.71 0.00 0.00 55.69 53.52 1n1y s MET 304 Cb 0.04 -1.97 -0.03 0.00 2.01 0.00 0.00 34.83 34.87 1n1y s MET 304 CO 0.22 0.32 0.00 -0.51 -0.01 0.00 0.00 175.02 175.05 1n1y s LEU 305 N -0.06 3.49 -0.02 -0.03 1.43 0.15 -1.10 118.68 122.55 1n1y s LEU 305 Ca -0.05 -0.03 0.04 0.00 -1.03 0.00 0.00 54.13 53.06 1n1y s LEU 305 Cb -0.13 -1.86 -0.01 0.00 0.03 0.00 0.00 46.19 44.22 1n1y s LEU 305 CO 0.04 0.18 -0.12 0.12 0.23 0.00 0.00 176.35 176.80 1n1y s PHE 306 N 0.28 1.12 0.16 0.29 5.36 -0.51 -1.84 117.98 122.85 1n1y s PHE 306 Ca -0.00 -0.24 0.08 0.00 -0.96 0.00 0.00 56.93 55.81 1n1y s PHE 306 Cb -0.13 -0.74 -0.04 0.00 -0.34 0.00 0.00 43.02 41.76 1n1y s PHE 306 CO 0.02 -0.05 -0.18 0.95 -1.46 0.00 0.00 175.22 174.50 1n1y s THR 307 N -0.15 1.74 0.00 0.12 -4.23 -1.06 0.36 115.64 112.43 1n1y s THR 307 Ca 0.02 -1.87 0.00 0.00 -1.18 0.00 0.00 61.69 58.66 1n1y s THR 307 Cb -0.06 -1.79 0.00 0.00 1.34 0.00 0.00 72.50 71.99 1n1y s THR 307 CO -0.00 -0.32 0.00 1.57 -0.54 0.00 0.00 174.62 175.33 1n1y n HIS 308 N 0.37 0.00 -2.22 3.99 -0.00 -1.20 -4.02 115.22 112.15 1n1y n HIS 308 Ca -0.14 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.26 1n1y n HIS 308 Cb 0.57 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.55 1n1y n HIS 308 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.34 174.20 1n1y s PRO 309 N -0.70 3.61 0.13 1.57 0.02 -1.26 -1.69 135.00 136.69 1n1y s PRO 309 Ca 0.00 1.10 0.03 0.00 0.02 0.00 0.00 61.00 62.15 1n1y s PRO 309 Cb 0.00 -2.08 -0.14 0.00 0.02 0.00 0.00 34.50 32.30 1n1y s PRO 309 CO 0.00 -0.56 1.29 -0.07 -0.33 0.00 0.00 177.00 177.33 1n1y h LEU 310 N 0.69 0.19 -1.69 -5.54 3.38 -0.59 -3.47 115.31 108.28 1n1y h LEU 310 Ca -0.47 -0.18 -0.34 0.00 0.09 0.00 0.00 57.88 56.98 1n1y h LEU 310 Cb 1.20 -0.06 0.15 0.00 0.09 0.00 0.00 40.66 42.05 1n1y h LEU 310 CO 0.59 1.08 -0.78 -3.20 0.09 0.00 0.00 178.44 176.22 1n1y n ASN 311 N -3.51 -2.00 0.27 -0.43 5.15 -0.49 -4.25 115.26 110.00 1n1y n ASN 311 Ca -0.03 -0.65 0.15 0.00 -0.60 0.00 0.00 54.58 53.44 1n1y n ASN 311 Cb 0.91 -4.97 0.78 0.00 -0.53 0.00 0.00 39.78 35.96 1n1y n ASN 311 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1n1y h LEU 312 N -1.88 0.00 0.00 1.20 3.38 -1.92 -2.30 115.31 113.79 1n1y h LEU 312 Ca -0.59 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.38 1n1y h LEU 312 Cb 1.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.09 1n1y h LEU 312 CO 0.51 0.09 -0.39 0.11 0.09 0.00 0.00 178.44 178.85 1n1y h LYS 313 N 0.00 0.00 0.00 1.13 1.57 -1.92 -3.50 116.57 113.85 1n1y h LYS 313 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1n1y h LYS 313 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1n1y h LYS 313 CO 0.01 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.30 1n1y n GLY 314 N 1.24 -1.77 7.00 3.86 0.00 -0.87 -4.93 105.19 109.73 1n1y n GLY 314 Ca 0.03 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.53 1n1y n GLY 314 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n1y n ARG 315 N -2.26 0.00 0.00 1.61 1.74 -1.26 -2.88 116.66 113.61 1n1y n ARG 315 Ca 0.00 0.00 0.14 0.00 -0.77 0.00 0.00 57.85 57.22 1n1y n ARG 315 Cb 0.00 0.00 0.55 0.00 -1.02 0.00 0.00 32.46 31.99 1n1y n ARG 315 CO 0.00 0.00 0.00 -2.67 -1.52 0.00 0.00 177.63 173.44 1n1y n TRP 316 N 14.00 0.00 -0.27 -1.55 2.14 -1.26 -4.31 117.44 126.19 1n1y n TRP 316 Ca 0.00 0.00 0.10 0.00 2.07 0.00 0.00 57.50 59.67 1n1y n TRP 316 Cb 0.00 -0.01 0.35 0.00 -0.81 0.00 0.00 31.31 30.84 1n1y n TRP 316 CO 0.00 0.00 0.00 0.52 2.07 0.00 0.00 177.69 180.28 1n1y h MET 317 N 2.09 0.74 -6.67 -2.67 0.00 -1.88 -3.47 114.93 103.07 1n1y h MET 317 Ca 0.00 -0.04 -0.49 0.00 0.00 0.00 0.00 59.70 59.17 1n1y h MET 317 Cb 0.46 -0.17 0.00 0.00 0.00 0.00 0.00 31.60 31.90 1n1y h MET 317 CO 0.00 0.49 -0.98 0.54 0.00 0.00 0.00 176.91 176.96 1n1y n ARG 318 N -4.55 -1.05 -3.74 1.72 1.74 -1.26 -3.80 116.66 105.72 1n1y n ARG 318 Ca 0.16 0.54 -0.21 0.00 -0.77 0.00 0.00 57.85 57.58 1n1y n ARG 318 Cb 0.40 -2.77 -0.01 0.00 -1.02 0.00 0.00 32.46 29.05 1n1y n ARG 318 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 1n1y s ASP 319 N -3.22 6.19 -0.60 0.55 1.47 -1.26 -0.43 116.67 119.37 1n1y s ASP 319 Ca 0.22 0.01 -0.09 0.00 1.18 0.00 0.00 52.55 53.88 1n1y s ASP 319 Cb -0.11 -1.65 0.01 0.00 -0.34 0.00 0.00 42.92 40.83 1n1y s ASP 319 CO 0.91 -0.22 0.65 0.54 0.68 0.00 0.00 175.17 177.73 1n1y n ARG 320 N -1.53 -1.82 -2.67 2.11 1.74 -1.25 -1.40 116.66 111.85 1n1y n ARG 320 Ca -0.06 1.74 -0.43 0.00 -0.77 0.00 0.00 57.85 58.33 1n1y n ARG 320 Cb 0.57 -5.43 -0.02 0.00 -1.02 0.00 0.00 32.46 26.56 1n1y n ARG 320 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1n1y s LEU 321 N -3.38 4.10 0.54 0.55 2.96 -1.26 -1.01 118.68 121.18 1n1y s LEU 321 Ca 0.12 1.36 0.09 0.00 -0.22 0.00 0.00 54.13 55.48 1n1y s LEU 321 Cb -0.03 -3.53 0.06 0.00 0.50 0.00 0.00 46.19 43.19 1n1y s LEU 321 CO 0.77 -0.67 0.69 -1.00 -1.32 0.00 0.00 176.35 174.82 1n1y s HIS 322 N 3.20 1.70 -0.08 5.38 3.76 -0.68 -0.41 115.29 128.16 1n1y s HIS 322 Ca 0.44 -0.68 -0.03 0.00 -0.15 0.00 0.00 55.06 54.64 1n1y s HIS 322 Cb -0.15 -2.20 0.04 0.00 1.11 0.00 0.00 32.58 31.39 1n1y s HIS 322 CO 0.06 -0.92 0.16 -1.17 -0.85 0.00 0.00 174.74 172.02 1n1y s LEU 323 N -4.55 0.35 0.21 0.89 2.96 -0.91 -3.21 118.68 114.42 1n1y s LEU 323 Ca 0.57 0.33 0.10 0.00 -0.22 0.00 0.00 54.13 54.90 1n1y s LEU 323 Cb -0.06 0.34 -0.04 0.00 0.50 0.00 0.00 46.19 46.93 1n1y s LEU 323 CO 0.35 -0.19 -0.11 0.26 -1.32 0.00 0.00 176.35 175.34 1n1y s TRP 324 N 1.68 2.55 -0.05 5.38 0.51 0.16 -0.77 118.94 128.40 1n1y s TRP 324 Ca -0.04 -0.26 0.01 0.00 -2.12 0.00 0.00 56.10 53.70 1n1y s TRP 324 Cb -0.12 -1.21 0.02 0.00 -0.81 0.00 0.00 33.47 31.35 1n1y s TRP 324 CO -0.06 0.56 -0.05 1.41 -0.51 0.00 0.00 176.95 178.30 1n1y s MET 325 N -3.05 0.92 0.04 4.98 -2.45 -0.30 -1.42 119.30 118.02 1n1y s MET 325 Ca 0.26 -0.12 0.00 0.00 -1.25 0.00 0.00 55.69 54.58 1n1y s MET 325 Cb -0.08 -0.93 -0.03 0.00 1.25 0.00 0.00 34.83 35.05 1n1y s MET 325 CO 0.15 -0.09 -0.04 -0.08 1.05 0.00 0.00 175.02 176.00 1n1y s THR 326 N 1.00 0.30 -0.22 10.11 -1.32 -0.26 -0.62 115.64 124.63 1n1y s THR 326 Ca -0.10 -1.26 0.11 0.00 -1.21 0.00 0.00 61.69 59.24 1n1y s THR 326 Cb -0.14 -0.77 0.43 0.00 -1.51 0.00 0.00 72.50 70.51 1n1y s THR 326 CO -0.00 -0.62 1.28 -0.90 -2.21 0.00 0.00 174.62 172.17 1n1y n ASP 327 N 1.06 2.04 -0.68 8.08 3.85 -1.11 -0.19 116.55 129.61 1n1y n ASP 327 Ca -0.20 -3.76 -0.09 0.00 -0.71 0.00 0.00 54.79 50.03 1n1y n ASP 327 Cb 0.57 -0.55 -0.04 0.00 -1.35 0.00 0.00 41.12 39.75 1n1y n ASP 327 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 1n1y n ASN 328 N -1.14 -5.08 0.09 -1.12 2.85 -1.26 -4.64 115.26 104.97 1n1y n ASN 328 Ca 0.22 0.22 0.00 0.00 -0.11 0.00 0.00 54.58 54.91 1n1y n ASN 328 Cb 0.78 -3.35 0.00 0.00 1.24 0.00 0.00 39.78 38.45 1n1y n ASN 328 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1n1y n GLN 329 N -1.39 0.00 -3.50 1.20 6.02 -1.26 -4.94 117.38 113.51 1n1y n GLN 329 Ca -0.09 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.65 1n1y n GLN 329 Cb 0.46 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.70 1n1y n GLN 329 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1n1y s ARG 330 N -1.60 3.51 -0.12 -1.09 3.00 -1.26 -4.80 118.95 116.59 1n1y s ARG 330 Ca 0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 55.73 55.39 1n1y s ARG 330 Cb 0.00 -2.72 0.04 0.00 0.00 0.00 0.00 34.95 32.27 1n1y s ARG 330 CO 0.00 0.24 0.04 0.42 0.00 0.00 0.00 175.30 176.01 1n1y s ILE 331 N -2.14 0.19 -0.13 1.52 1.01 -1.26 -2.75 121.20 117.64 1n1y s ILE 331 Ca 0.40 -0.03 -0.01 0.00 0.00 0.00 0.00 60.65 61.01 1n1y s ILE 331 Cb -0.10 -0.57 -0.02 0.00 0.01 0.00 0.00 42.46 41.78 1n1y s ILE 331 CO 0.33 0.01 -0.11 0.12 0.00 0.00 0.00 174.94 175.28 1n1y s PHE 332 N 2.03 2.85 -0.46 3.97 5.36 0.21 -4.85 117.98 127.08 1n1y s PHE 332 Ca 0.03 -0.57 -0.26 0.00 -0.96 0.00 0.00 56.93 55.17 1n1y s PHE 332 Cb -0.14 -1.86 0.03 0.00 -0.34 0.00 0.00 43.02 40.71 1n1y s PHE 332 CO -0.06 -0.17 0.93 0.34 -1.46 0.00 0.00 175.22 174.80 1n1y s ASP 333 N 0.32 6.51 0.00 6.13 2.15 -1.26 -1.15 116.67 129.37 1n1y s ASP 333 Ca -0.09 0.14 0.28 0.00 0.43 0.00 0.00 52.55 53.31 1n1y s ASP 333 Cb -0.15 -2.45 1.29 0.00 -0.30 0.00 0.00 42.92 41.30 1n1y s ASP 333 CO 0.05 -1.06 1.93 0.52 -0.17 0.00 0.00 175.17 176.44 1n1y n VAL 334 N 6.43 0.08 0.00 1.11 0.31 0.05 -4.91 118.33 121.41 1n1y n VAL 334 Ca 0.06 0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 1n1y n VAL 334 Cb 0.49 -0.55 0.00 0.00 -0.91 0.00 0.00 33.84 32.87 1n1y n VAL 334 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1n1y n GLY 335 N 1.27 -0.80 3.84 2.92 0.00 -1.24 -4.30 105.19 106.87 1n1y n GLY 335 Ca 0.09 -2.18 -0.38 0.00 0.00 0.00 0.00 46.02 43.56 1n1y n GLY 335 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1n1y s GLN 336 N -0.01 3.93 -0.00 1.61 0.74 0.12 -2.15 119.66 123.90 1n1y s GLN 336 Ca 0.00 0.43 0.09 0.00 0.05 0.00 0.00 55.36 55.92 1n1y s GLN 336 Cb 0.00 -3.20 -0.11 0.00 1.10 0.00 0.00 33.01 30.80 1n1y s GLN 336 CO 0.00 0.68 0.32 0.44 -0.55 0.00 0.00 175.29 176.17 1n1y n ILE 337 N 1.73 0.00 -2.47 -2.34 -5.35 0.45 -3.55 119.36 107.82 1n1y n ILE 337 Ca -0.13 -0.27 -0.23 0.00 -0.27 0.00 0.00 62.75 61.85 1n1y n ILE 337 Cb 0.52 0.79 0.05 0.00 -1.74 0.00 0.00 39.64 39.26 1n1y n ILE 337 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1n1y s SER 338 N -2.18 5.11 -0.24 7.28 1.04 -1.22 -4.40 113.70 119.10 1n1y s SER 338 Ca 0.01 0.18 -0.13 0.00 0.48 0.00 0.00 55.95 56.50 1n1y s SER 338 Cb 0.06 -0.98 -0.04 0.00 0.10 0.00 0.00 66.02 65.15 1n1y s SER 338 CO 0.36 -1.31 0.27 -0.63 0.98 0.00 0.00 173.24 172.92 1n1y s ILE 339 N -2.95 5.27 0.00 -1.02 1.01 -1.26 -3.00 121.20 119.25 1n1y s ILE 339 Ca 0.58 0.40 0.00 0.00 0.00 0.00 0.00 60.65 61.63 1n1y s ILE 339 Cb -0.10 -3.61 0.00 0.00 0.01 0.00 0.00 42.46 38.76 1n1y s ILE 339 CO 0.41 0.27 0.00 0.61 0.00 0.00 0.00 174.94 176.23 1n1y n GLY 340 N 4.39 3.03 1.48 6.18 0.00 -1.26 -2.50 105.19 116.51 1n1y n GLY 340 Ca -0.12 -0.10 0.02 0.00 0.00 0.00 0.00 46.02 45.82 1n1y n GLY 340 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1n1y n ASP 341 N 2.75 4.43 -4.51 1.61 5.75 -1.26 -4.59 116.55 120.73 1n1y n ASP 341 Ca 0.00 -3.15 -0.29 0.00 -0.01 0.00 0.00 54.79 51.34 1n1y n ASP 341 Cb 0.00 -0.65 0.24 0.00 -1.03 0.00 0.00 41.12 39.68 1n1y n ASP 341 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 1n1y n GLU 342 N -0.23 -1.98 -3.57 0.11 0.28 -1.04 -4.83 120.64 109.37 1n1y n GLU 342 Ca 0.30 -0.54 -0.37 0.00 -0.16 0.00 0.00 57.16 56.39 1n1y n GLU 342 Cb 1.13 -2.21 -0.09 0.00 1.43 0.00 0.00 31.44 31.71 1n1y n GLU 342 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 1n1y s ASN 343 N -2.44 6.23 0.00 -1.84 0.01 -1.25 -3.94 114.94 111.71 1n1y s ASN 343 Ca 0.68 0.25 0.00 0.00 -0.71 0.00 0.00 52.86 53.08 1n1y s ASN 343 Cb -0.25 -2.15 0.00 0.00 0.41 0.00 0.00 41.25 39.27 1n1y s ASN 343 CO 0.64 0.02 0.00 -1.54 -1.51 0.00 0.00 177.10 174.71 1n1y n SER 344 N 4.31 0.00 0.00 -1.22 3.41 0.43 0.15 113.62 120.69 1n1y n SER 344 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 1n1y n SER 344 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 1n1y n SER 344 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1n1y n GLY 345 N 5.00 -0.39 3.63 5.00 0.00 -1.24 -4.41 105.19 112.78 1n1y n GLY 345 Ca 0.00 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.29 1n1y n GLY 345 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1n1y n TYR 346 N 0.00 0.66 -3.95 1.61 4.02 -1.26 -4.72 117.16 113.52 1n1y n TYR 346 Ca 0.00 0.38 -0.09 0.00 -0.01 0.00 0.00 57.90 58.18 1n1y n TYR 346 Cb 0.00 -2.03 -0.04 0.00 -0.02 0.00 0.00 39.34 37.25 1n1y n TYR 346 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1n1y s SER 347 N -2.11 -0.04 -0.05 7.72 1.04 -1.26 -2.34 113.70 116.66 1n1y s SER 347 Ca 0.70 -0.91 -0.18 0.00 0.48 0.00 0.00 55.95 56.04 1n1y s SER 347 Cb -0.28 0.66 0.04 0.00 0.10 0.00 0.00 66.02 66.53 1n1y s SER 347 CO 0.55 -1.26 0.40 -0.55 0.98 0.00 0.00 173.24 173.36 1n1y s SER 348 N -3.01 -0.33 0.02 7.02 0.15 0.04 -4.51 113.70 113.07 1n1y s SER 348 Ca 0.19 0.36 0.02 0.00 0.70 0.00 0.00 55.95 57.22 1n1y s SER 348 Cb -0.02 0.47 -0.01 0.00 -1.71 0.00 0.00 66.02 64.74 1n1y s SER 348 CO 0.10 -0.42 -0.06 0.68 1.20 0.00 0.00 173.24 174.74 1n1y s VAL 349 N -0.99 0.46 -0.08 4.45 -7.23 -1.26 -1.63 120.40 114.12 1n1y s VAL 349 Ca -0.10 -0.60 -0.05 0.00 -1.81 0.00 0.00 61.98 59.41 1n1y s VAL 349 Cb -0.04 -0.45 0.03 0.00 0.56 0.00 0.00 36.38 36.48 1n1y s VAL 349 CO 0.05 -0.11 0.19 -0.22 -0.31 0.00 0.00 175.10 174.70 1n1y s LEU 350 N -0.77 0.93 -0.29 1.32 2.96 -0.44 -4.95 118.68 117.44 1n1y s LEU 350 Ca -0.03 0.40 -0.05 0.00 -0.22 0.00 0.00 54.13 54.22 1n1y s LEU 350 Cb -0.06 0.60 0.02 0.00 0.50 0.00 0.00 46.19 47.25 1n1y s LEU 350 CO 0.00 -0.11 0.04 -0.47 -1.32 0.00 0.00 176.35 174.49 1n1y s TYR 351 N 0.65 3.16 -0.03 5.38 5.04 -1.26 -0.82 117.35 129.46 1n1y s TYR 351 Ca -0.05 -1.27 0.01 0.00 -2.44 0.00 0.00 57.07 53.33 1n1y s TYR 351 Cb -0.06 -2.20 0.02 0.00 0.35 0.00 0.00 41.96 40.07 1n1y s TYR 351 CO -0.03 -0.66 -0.02 0.21 -1.34 0.00 0.00 175.55 173.71 1n1y s LYS 352 N 1.42 0.48 -1.23 4.97 2.20 0.11 -4.89 119.74 122.80 1n1y s LYS 352 Ca 0.01 -0.02 -0.26 0.00 -0.36 0.00 0.00 55.97 55.34 1n1y s LYS 352 Cb -0.18 -0.58 0.04 0.00 -1.51 0.00 0.00 37.83 35.60 1n1y s LYS 352 CO 0.01 -0.08 0.49 -0.25 -0.36 0.00 0.00 175.35 175.15 1n1y n ASP 353 N 3.93 -2.71 -3.60 1.43 8.00 -1.26 -0.50 116.55 121.84 1n1y n ASP 353 Ca -0.25 -1.24 -0.27 0.00 0.71 0.00 0.00 54.79 53.75 1n1y n ASP 353 Cb 0.52 -1.50 0.03 0.00 -0.02 0.00 0.00 41.12 40.15 1n1y n ASP 353 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1n1y n ASP 354 N -2.14 -5.11 -3.89 -2.24 4.64 -1.26 -5.00 116.55 101.56 1n1y n ASP 354 Ca -0.15 -0.58 -0.11 0.00 -1.38 0.00 0.00 54.79 52.57 1n1y n ASP 354 Cb 0.56 -4.10 -0.13 0.00 -1.04 0.00 0.00 41.12 36.42 1n1y n ASP 354 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 1n1y s LYS 355 N -6.29 0.15 -0.12 -0.67 1.02 0.34 -5.16 119.74 109.01 1n1y s LYS 355 Ca 0.54 -0.13 -0.04 0.00 0.02 0.00 0.00 55.97 56.36 1n1y s LYS 355 Cb -0.26 0.06 -0.03 0.00 -0.52 0.00 0.00 37.83 37.07 1n1y s LYS 355 CO 0.66 -0.03 0.03 -1.17 -0.92 0.00 0.00 175.35 173.93 1n1y s LEU 356 N -0.43 3.70 0.06 3.17 2.96 -1.26 -0.71 118.68 126.17 1n1y s LEU 356 Ca -0.05 0.15 0.01 0.00 -0.22 0.00 0.00 54.13 54.02 1n1y s LEU 356 Cb -0.03 -1.88 -0.04 0.00 0.50 0.00 0.00 46.19 44.75 1n1y s LEU 356 CO -0.00 0.32 -0.05 -0.31 -1.32 0.00 0.00 176.35 174.99 1n1y s TYR 357 N -0.53 0.67 -0.01 5.38 1.51 -0.00 -2.01 117.35 122.36 1n1y s TYR 357 Ca 0.10 -0.84 -0.05 0.00 -1.01 0.00 0.00 57.07 55.27 1n1y s TYR 357 Cb -0.12 -0.42 0.00 0.00 -0.11 0.00 0.00 41.96 41.31 1n1y s TYR 357 CO 0.02 -0.21 0.11 0.45 -1.11 0.00 0.00 175.55 174.81 1n1y s SER 358 N -2.55 0.02 -0.15 2.29 0.15 -0.87 -1.33 113.70 111.25 1n1y s SER 358 Ca 0.03 -0.12 -0.01 0.00 0.70 0.00 0.00 55.95 56.55 1n1y s SER 358 Cb 0.01 0.20 0.04 0.00 -1.71 0.00 0.00 66.02 64.57 1n1y s SER 358 CO -0.05 -0.26 -0.01 -0.22 1.20 0.00 0.00 173.24 173.90 1n1y s LEU 359 N -0.97 1.22 0.29 3.45 0.20 -0.64 0.07 118.68 122.30 1n1y s LEU 359 Ca -0.11 -0.56 -0.01 0.00 0.69 0.00 0.00 54.13 54.15 1n1y s LEU 359 Cb -0.06 -0.70 -0.02 0.00 -0.43 0.00 0.00 46.19 44.98 1n1y s LEU 359 CO 0.01 -0.22 0.33 -1.38 -0.29 0.00 0.00 176.35 174.80 1n1y s HIS 360 N 1.79 1.17 0.24 5.38 -3.43 -0.98 -0.78 115.29 118.68 1n1y s HIS 360 Ca 0.01 -1.33 -0.09 0.00 -0.80 0.00 0.00 55.06 52.85 1n1y s HIS 360 Cb -0.15 -0.34 -0.07 0.00 -1.43 0.00 0.00 32.58 30.59 1n1y s HIS 360 CO -0.07 -0.91 0.56 -1.21 -2.00 0.00 0.00 174.74 171.11 1n1y s GLU 361 N -3.60 3.79 -0.03 -0.38 2.02 -0.99 -1.44 118.70 118.08 1n1y s GLU 361 Ca 0.34 0.26 0.02 0.00 0.02 0.00 0.00 54.97 55.62 1n1y s GLU 361 Cb 0.02 -2.63 0.01 0.00 0.10 0.00 0.00 34.13 31.63 1n1y s GLU 361 CO 0.18 0.29 -0.08 0.96 0.02 0.00 0.00 175.26 176.64 1n1y s ILE 362 N -1.86 0.70 -0.08 -1.63 -4.36 -1.06 -3.70 121.20 109.22 1n1y s ILE 362 Ca 0.47 -0.30 0.03 0.00 -0.26 0.00 0.00 60.65 60.60 1n1y s ILE 362 Cb -0.11 -0.64 0.01 0.00 1.25 0.00 0.00 42.46 42.96 1n1y s ILE 362 CO 0.22 0.23 -0.17 0.21 0.24 0.00 0.00 174.94 175.67 1n1y s ASN 363 N 0.33 2.28 -0.17 4.36 3.04 0.39 -2.58 114.94 122.60 1n1y s ASN 363 Ca -0.05 -0.40 -0.04 0.00 0.04 0.00 0.00 52.86 52.41 1n1y s ASN 363 Cb -0.09 -1.01 0.08 0.00 -1.54 0.00 0.00 41.25 38.68 1n1y s ASN 363 CO 0.00 0.09 0.19 -0.89 -3.04 0.00 0.00 177.10 173.45 1n1y s THR 364 N 0.49 -0.28 -0.94 -5.21 2.01 -1.18 -3.95 115.64 106.58 1n1y s THR 364 Ca -0.15 0.01 0.00 0.00 0.31 0.00 0.00 61.69 61.86 1n1y s THR 364 Cb -0.16 -0.56 0.00 0.00 0.01 0.00 0.00 72.50 71.79 1n1y s THR 364 CO 0.05 -0.11 0.00 0.59 -0.69 0.00 0.00 174.62 174.46 1n1y n ASN 365 N 5.32 -4.87 -1.02 3.53 3.02 -1.26 -2.62 115.26 117.36 1n1y n ASN 365 Ca -0.06 0.22 -0.05 0.00 -0.03 0.00 0.00 54.58 54.67 1n1y n ASN 365 Cb 0.50 -3.15 0.01 0.00 -0.61 0.00 0.00 39.78 36.53 1n1y n ASN 365 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1n1y n ASP 366 N -0.48 -2.74 -4.07 6.41 8.00 -1.26 -5.05 116.55 117.36 1n1y n ASP 366 Ca -0.09 -0.09 -0.30 0.00 0.71 0.00 0.00 54.79 55.02 1n1y n ASP 366 Cb 0.43 -1.44 -0.16 0.00 -0.02 0.00 0.00 41.12 39.92 1n1y n ASP 366 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1n1y s VAL 367 N -2.90 1.69 -0.07 2.53 1.01 -1.08 -4.59 120.40 116.99 1n1y s VAL 367 Ca 0.10 -0.73 -0.01 0.00 0.00 0.00 0.00 61.98 61.34 1n1y s VAL 367 Cb -0.04 -1.54 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 1n1y s VAL 367 CO 0.12 0.48 -0.02 -0.31 0.00 0.00 0.00 175.10 175.37 1n1y s TYR 368 N 1.19 3.10 0.36 5.22 1.51 -1.26 -3.08 117.35 124.38 1n1y s TYR 368 Ca -0.01 0.14 0.06 0.00 -1.01 0.00 0.00 57.07 56.25 1n1y s TYR 368 Cb -0.14 -1.75 -0.07 0.00 -0.11 0.00 0.00 41.96 39.89 1n1y s TYR 368 CO -0.07 0.44 0.00 -1.12 -1.11 0.00 0.00 175.55 173.69 1n1y s SER 369 N -0.96 3.23 -0.19 2.29 0.01 -1.07 -2.11 113.70 114.90 1n1y s SER 369 Ca 0.14 -1.32 0.00 0.00 1.31 0.00 0.00 55.95 56.08 1n1y s SER 369 Cb -0.11 -0.26 0.04 0.00 0.21 0.00 0.00 66.02 65.90 1n1y s SER 369 CO 0.03 -0.45 -0.10 -0.76 0.41 0.00 0.00 173.24 172.38 1n1y s LEU 370 N -3.59 2.06 -0.04 2.44 1.43 -0.19 -2.55 118.68 118.24 1n1y s LEU 370 Ca 0.34 -0.79 -0.13 0.00 -1.03 0.00 0.00 54.13 52.52 1n1y s LEU 370 Cb 0.08 -1.16 -0.05 0.00 0.03 0.00 0.00 46.19 45.09 1n1y s LEU 370 CO 0.16 -0.14 0.34 0.68 0.23 0.00 0.00 176.35 177.62 1n1y s VAL 371 N 1.46 5.16 -0.25 -1.59 -7.23 -0.52 -1.58 120.40 115.85 1n1y s VAL 371 Ca -0.00 0.68 -0.09 0.00 -1.81 0.00 0.00 61.98 60.76 1n1y s VAL 371 Cb -0.16 -3.64 -0.04 0.00 0.56 0.00 0.00 36.38 33.10 1n1y s VAL 371 CO -0.08 0.56 0.12 0.12 -0.31 0.00 0.00 175.10 175.51 1n1y s PHE 372 N -0.89 3.17 0.15 2.82 5.36 -0.53 -2.31 117.98 125.75 1n1y s PHE 372 Ca 0.21 -0.12 0.10 0.00 -0.96 0.00 0.00 56.93 56.16 1n1y s PHE 372 Cb -0.15 -2.27 -0.04 0.00 -0.34 0.00 0.00 43.02 40.22 1n1y s PHE 372 CO 0.10 -0.19 -0.20 0.08 -1.46 0.00 0.00 175.22 173.56 1n1y s VAL 373 N 1.44 2.66 -0.30 3.12 1.01 0.11 -1.73 120.40 126.72 1n1y s VAL 373 Ca 0.06 -1.71 -0.01 0.00 0.00 0.00 0.00 61.98 60.32 1n1y s VAL 373 Cb -0.15 -2.25 0.05 0.00 0.00 0.00 0.00 36.38 34.04 1n1y s VAL 373 CO 0.06 0.01 -0.01 -0.13 0.00 0.00 0.00 175.10 175.03 1n1y s ARG 374 N -2.37 2.42 -1.35 2.72 0.52 -0.22 -2.06 118.95 118.61 1n1y s ARG 374 Ca 0.19 -1.27 -0.12 0.00 -0.52 0.00 0.00 55.73 54.01 1n1y s ARG 374 Cb -0.10 -3.16 0.12 0.00 0.52 0.00 0.00 34.95 32.33 1n1y s ARG 374 CO 0.10 -0.62 1.99 1.28 0.02 0.00 0.00 175.30 178.07 1n1y n LEU 375 N 4.61 6.63 -0.01 2.53 4.77 -0.85 -3.48 117.00 131.20 1n1y n LEU 375 Ca -0.13 -4.43 -0.13 0.00 -0.03 0.00 0.00 56.01 51.29 1n1y n LEU 375 Cb 0.43 -1.56 -0.10 0.00 -2.33 0.00 0.00 43.42 39.86 1n1y n LEU 375 CO 0.26 1.22 0.59 0.40 -1.33 0.00 0.00 177.39 178.53 1n1y h ILE 376 N 3.92 1.41 0.01 -0.08 1.08 -1.84 -3.00 117.51 119.01 1n1y h ILE 376 Ca 0.46 -1.30 -0.21 0.00 -0.39 0.00 0.00 64.86 63.41 1n1y h ILE 376 Cb 0.65 2.28 -0.00 0.00 -3.07 0.00 0.00 36.82 36.68 1n1y h ILE 376 CO 1.71 0.33 -0.92 1.23 -0.69 0.00 0.00 178.15 179.81 1n1y h GLY 377 N -0.58 0.34 0.90 5.37 0.00 -1.81 -3.13 103.07 104.16 1n1y h GLY 377 Ca -0.00 -0.62 -0.02 0.00 0.00 0.00 0.00 47.33 46.70 1n1y h GLY 377 CO 0.00 0.54 0.09 0.83 0.00 0.00 0.00 176.54 178.01 1n1y h GLU 378 N 0.17 0.37 -0.77 4.80 3.07 -1.92 -2.60 114.58 117.71 1n1y h GLU 378 Ca -0.07 -0.07 -0.00 0.00 -0.50 0.00 0.00 59.36 58.72 1n1y h GLU 378 Cb 1.56 -0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 29.37 1n1y h GLU 378 CO 0.15 0.42 0.48 1.25 -1.40 0.00 0.00 179.01 179.91 1n1y h LEU 379 N 0.25 0.91 0.25 1.33 5.85 -1.60 -0.56 115.31 121.73 1n1y h LEU 379 Ca 0.08 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1n1y h LEU 379 Cb 0.19 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1n1y h LEU 379 CO -0.01 0.68 -0.28 -0.61 -0.34 0.00 0.00 178.44 177.89 1n1y h GLN 380 N 1.05 -0.55 -0.29 1.25 4.15 -1.45 0.12 115.11 119.39 1n1y h GLN 380 Ca 0.28 0.04 0.05 0.00 0.77 0.00 0.00 58.65 59.79 1n1y h GLN 380 Cb -0.07 0.13 -0.05 0.00 0.21 0.00 0.00 27.48 27.70 1n1y h GLN 380 CO -0.05 -0.37 -0.01 1.25 -1.93 0.00 0.00 178.83 177.72 1n1y h LEU 381 N -0.57 -0.14 -0.36 -2.39 5.85 -1.07 -2.18 115.31 114.44 1n1y h LEU 381 Ca -0.00 0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.85 1n1y h LEU 381 Cb 0.54 0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.64 1n1y h LEU 381 CO -0.08 -0.03 0.02 0.24 -0.34 0.00 0.00 178.44 178.25 1n1y h MET 382 N 0.08 0.12 -0.84 1.25 2.86 -0.75 -1.62 114.93 116.03 1n1y h MET 382 Ca 0.14 -0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.83 1n1y h MET 382 Cb 0.19 -0.03 -0.05 0.00 0.06 0.00 0.00 31.60 31.77 1n1y h MET 382 CO -0.25 0.08 0.55 0.87 1.06 0.00 0.00 176.91 179.22 1n1y h LYS 383 N 0.12 0.94 0.08 1.72 1.57 -0.36 -2.26 116.57 118.39 1n1y h LYS 383 Ca 0.18 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1n1y h LYS 383 Cb 0.23 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1n1y h LYS 383 CO -0.28 0.62 -0.04 1.03 -0.57 0.00 0.00 179.45 180.22 1n1y h SER 384 N 0.97 -0.09 -0.69 0.86 0.87 -0.73 -2.82 113.55 111.92 1n1y h SER 384 Ca 0.35 -0.21 0.06 0.00 -1.23 0.00 0.00 61.79 60.76 1n1y h SER 384 Cb 0.14 0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.09 1n1y h SER 384 CO -0.12 0.16 0.45 0.58 -0.53 0.00 0.00 176.83 177.38 1n1y h VAL 385 N -0.34 1.03 -0.27 2.23 2.07 -0.94 -2.12 116.25 117.91 1n1y h VAL 385 Ca -0.01 -0.25 -0.07 0.00 0.82 0.00 0.00 66.70 67.18 1n1y h VAL 385 Cb 0.30 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 1n1y h VAL 385 CO 0.02 0.13 -0.12 0.58 0.02 0.00 0.00 177.57 178.20 1n1y h VAL 386 N 0.74 1.30 -0.56 2.57 2.07 -1.40 -2.76 116.25 118.21 1n1y h VAL 386 Ca 0.29 -1.20 0.14 0.00 0.82 0.00 0.00 66.70 66.75 1n1y h VAL 386 Cb 0.22 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 1n1y h VAL 386 CO -0.09 0.38 0.39 0.03 0.02 0.00 0.00 177.57 178.30 1n1y h ARG 387 N 0.29 0.12 0.20 1.57 3.08 -1.13 -0.26 114.38 118.25 1n1y h ARG 387 Ca 0.06 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 1n1y h ARG 387 Cb 0.63 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.66 1n1y h ARG 387 CO 0.04 0.08 -0.10 1.15 -1.07 0.00 0.00 179.97 180.07 1n1y h THR 388 N 0.12 0.83 -0.45 2.04 2.02 -1.26 -1.89 112.91 114.32 1n1y h THR 388 Ca 0.27 -0.95 0.08 0.00 0.77 0.00 0.00 66.41 66.58 1n1y h THR 388 Cb 0.89 1.33 -0.07 0.00 -1.74 0.00 0.00 68.15 68.56 1n1y h THR 388 CO -0.03 0.19 0.05 -0.50 0.37 0.00 0.00 175.52 175.59 1n1y h TRP 389 N -0.80 0.06 0.09 3.16 6.55 -1.09 -0.91 115.95 123.01 1n1y h TRP 389 Ca -0.03 0.03 0.01 0.00 0.95 0.00 0.00 58.89 59.85 1n1y h TRP 389 Cb 0.51 0.04 -0.02 0.00 -0.86 0.00 0.00 29.16 28.84 1n1y h TRP 389 CO 0.06 -0.05 -0.14 0.87 -1.05 0.00 0.00 178.44 178.13 1n1y h LYS 390 N 0.17 -0.28 -0.00 0.49 1.57 -1.14 -2.23 116.57 115.15 1n1y h LYS 390 Ca 0.23 0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1n1y h LYS 390 Cb 0.31 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.69 1n1y h LYS 390 CO -0.34 -0.19 0.00 0.93 -0.57 0.00 0.00 179.45 179.29 1n1y h GLU 391 N -0.29 0.01 -0.45 3.15 5.08 -0.84 -2.74 114.58 118.49 1n1y h GLU 391 Ca 0.02 -0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 1n1y h GLU 391 Cb 0.30 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1n1y h GLU 391 CO -0.08 0.09 0.04 1.49 -1.00 0.00 0.00 179.01 179.55 1n1y h GLU 392 N -0.08 0.77 -0.04 2.33 4.57 -1.22 -2.31 114.58 118.61 1n1y h GLU 392 Ca 0.00 -0.23 0.03 0.00 -1.18 0.00 0.00 59.36 57.98 1n1y h GLU 392 Cb 0.08 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.55 1n1y h GLU 392 CO -0.00 0.82 -0.17 -0.44 -1.18 0.00 0.00 179.01 178.04 1n1y h ASP 393 N 0.63 -0.51 -0.60 1.04 5.19 -1.40 -1.80 116.42 118.97 1n1y h ASP 393 Ca 0.13 0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.62 1n1y h ASP 393 Cb 0.44 0.22 -0.03 0.00 0.18 0.00 0.00 39.33 40.14 1n1y h ASP 393 CO 0.02 -0.23 0.38 0.78 -3.12 0.00 0.00 179.24 177.07 1n1y h ASN 394 N -0.26 0.71 -0.07 6.45 -0.26 -1.47 -1.63 115.58 119.06 1n1y h ASN 394 Ca 0.07 -0.04 0.04 0.00 -0.56 0.00 0.00 56.30 55.80 1n1y h ASN 394 Cb 0.35 -0.18 -0.05 0.00 -1.06 0.00 0.00 38.32 37.38 1n1y h ASN 394 CO -0.19 0.54 -0.21 -0.74 -1.06 0.00 0.00 177.43 175.77 1n1y h HIS 395 N 0.82 -0.56 -0.10 1.19 -0.00 -1.10 -1.28 115.15 114.12 1n1y h HIS 395 Ca 0.22 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.60 1n1y h HIS 395 Cb -0.05 0.26 -0.01 0.00 -0.00 0.00 0.00 27.41 27.61 1n1y h HIS 395 CO -0.02 -0.29 -0.01 -0.07 -0.00 0.00 0.00 177.93 177.53 1n1y h LEU 396 N -0.30 0.12 -0.66 0.26 3.38 -1.14 -2.23 115.31 114.74 1n1y h LEU 396 Ca 0.08 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1n1y h LEU 396 Cb 0.42 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1n1y h LEU 396 CO -0.24 0.17 0.00 0.00 0.09 0.00 0.00 178.44 178.46 1n1y n ALA 397 N -2.51 2.53 0.35 1.53 0.00 -0.55 -3.77 120.51 118.08 1n1y n ALA 397 Ca -0.01 -0.35 0.05 0.00 0.00 0.00 0.00 53.44 53.13 1n1y n ALA 397 Cb 0.15 -1.11 -0.06 0.00 0.00 0.00 0.00 19.45 18.43 1n1y n ALA 397 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1n1y n SER 398 N -0.07 0.99 -4.73 0.00 7.64 -0.83 -4.88 113.62 111.75 1n1y n SER 398 Ca 0.12 -0.56 -0.42 0.00 1.01 0.00 0.00 58.87 59.03 1n1y n SER 398 Cb 0.20 1.11 -0.03 0.00 -1.01 0.00 0.00 64.21 64.48 1n1y n SER 398 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1n1y s ILE 399 N -2.10 2.94 -0.38 0.44 1.01 -1.24 -4.97 121.20 116.89 1n1y s ILE 399 Ca 0.02 0.72 -0.26 0.00 0.00 0.00 0.00 60.65 61.13 1n1y s ILE 399 Cb 0.07 -3.46 0.02 0.00 0.01 0.00 0.00 42.46 39.10 1n1y s ILE 399 CO 0.40 0.08 0.94 0.00 0.00 0.00 0.00 174.94 176.37 1n1y s THR 401 N 3.56 5.21 0.64 0.00 -4.23 -1.26 -4.94 115.64 114.62 1n1y s THR 401 Ca 0.39 -0.49 -0.17 0.00 -1.18 0.00 0.00 61.69 60.24 1n1y s THR 401 Cb -0.11 -3.77 -0.05 0.00 1.34 0.00 0.00 72.50 69.91 1n1y s THR 401 CO 0.20 -0.23 0.71 -2.65 -0.54 0.00 0.00 174.62 172.11 1n1y n PRO 402 N -0.89 0.57 -3.32 3.99 -0.02 -1.26 -1.19 135.00 132.88 1n1y n PRO 402 Ca -0.05 0.23 -0.38 0.00 -2.02 0.00 0.00 63.50 61.27 1n1y n PRO 402 Cb 0.54 -1.94 -0.06 0.00 -0.02 0.00 0.00 33.50 32.02 1n1y n PRO 402 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1n1y s VAL 403 N -1.72 4.95 -0.13 -1.45 1.01 -1.26 -3.84 120.40 117.96 1n1y s VAL 403 Ca 0.71 1.08 -0.10 0.00 0.00 0.00 0.00 61.98 63.67 1n1y s VAL 403 Cb -0.40 -3.85 -0.05 0.00 0.00 0.00 0.00 36.38 32.09 1n1y s VAL 403 CO 0.52 0.47 0.19 -0.69 0.00 0.00 0.00 175.10 175.60 1n1y s VAL 404 N -0.47 5.39 -0.19 2.92 1.01 -1.26 -5.02 120.40 122.78 1n1y s VAL 404 Ca 0.28 0.34 -0.35 0.00 0.00 0.00 0.00 61.98 62.24 1n1y s VAL 404 Cb -0.18 -3.49 -0.12 0.00 0.00 0.00 0.00 36.38 32.59 1n1y s VAL 404 CO 0.15 0.53 1.93 -2.65 0.00 0.00 0.00 175.10 175.06 1n1y n PRO 405 N 2.64 1.73 0.00 2.72 -0.02 -1.26 -5.16 135.00 135.66 1n1y n PRO 405 Ca -0.17 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 1n1y n PRO 405 Cb 0.53 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 1n1y n PRO 405 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1n1y n ALA 406 N 7.28 0.22 -0.28 3.55 0.00 -1.26 -5.32 120.51 124.70 1n1y n ALA 406 Ca 0.27 -0.03 -0.04 0.00 0.00 0.00 0.00 53.44 53.64 1n1y n ALA 406 Cb 0.25 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.68 1n1y n ALA 406 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n1y n GLY 413 N 2.54 -1.63 3.51 0.00 0.00 -1.26 -5.34 105.19 103.01 1n1y n GLY 413 Ca 0.00 0.81 -0.24 0.00 0.00 0.00 0.00 46.02 46.59 1n1y n GLY 413 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n1y n GLY 415 N -0.82 1.11 3.60 0.00 0.00 -0.34 -4.87 105.19 103.89 1n1y n GLY 415 Ca -0.05 -2.05 -0.40 0.00 0.00 0.00 0.00 46.02 43.52 1n1y n GLY 415 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n1y n ALA 416 N -2.87 0.09 -1.57 4.61 0.00 -1.26 -4.57 120.51 114.94 1n1y n ALA 416 Ca -0.07 0.16 -0.31 0.00 0.00 0.00 0.00 53.44 53.22 1n1y n ALA 416 Cb 0.28 -2.07 0.05 0.00 0.00 0.00 0.00 19.45 17.71 1n1y n ALA 416 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n1y s ALA 417 N -1.36 2.67 -0.07 0.00 0.00 -1.26 -4.63 121.76 117.10 1n1y s ALA 417 Ca 0.66 0.15 -0.30 0.00 0.00 0.00 0.00 51.96 52.48 1n1y s ALA 417 Cb -0.52 -3.19 -0.04 0.00 0.00 0.00 0.00 23.12 19.37 1n1y s ALA 417 CO 0.55 -1.18 1.48 0.08 0.00 0.00 0.00 175.76 176.69 1n1y s VAL 418 N -2.93 3.81 0.20 0.00 1.01 -1.26 -4.94 120.40 116.28 1n1y s VAL 418 Ca 0.59 1.04 -0.32 0.00 0.00 0.00 0.00 61.98 63.30 1n1y s VAL 418 Cb -0.15 -3.67 -0.11 0.00 0.00 0.00 0.00 36.38 32.45 1n1y s VAL 418 CO 0.52 -0.07 1.66 -2.84 0.00 0.00 0.00 175.10 174.37 1n1y s PRO 419 N 3.46 4.16 0.00 2.72 0.02 -1.26 -4.58 135.00 139.51 1n1y s PRO 419 Ca 0.66 2.52 0.00 0.00 0.02 0.00 0.00 61.00 64.20 1n1y s PRO 419 Cb -0.30 -3.10 0.00 0.00 0.02 0.00 0.00 34.50 31.12 1n1y s PRO 419 CO 0.24 -0.70 0.00 0.25 -0.33 0.00 0.00 177.00 176.47 1n1y n THR 420 N 3.90 0.00 -2.41 0.99 -2.24 -1.26 -4.89 114.28 108.37 1n1y n THR 420 Ca 0.15 -0.31 -0.43 0.00 -2.27 0.00 0.00 64.05 61.18 1n1y n THR 420 Cb 0.36 0.92 -0.02 0.00 -2.10 0.00 0.00 70.33 69.50 1n1y n THR 420 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n1y s ALA 421 N -0.80 3.11 0.00 6.98 0.00 -1.26 -2.35 121.76 127.44 1n1y s ALA 421 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 51.78 1n1y s ALA 421 Cb 0.00 -3.91 0.00 0.00 0.00 0.00 0.00 23.12 19.21 1n1y s ALA 421 CO 0.00 -2.28 0.00 0.41 0.00 0.00 0.00 175.76 173.89 1n1y n GLY 422 N 4.92 0.64 3.61 0.00 0.00 -1.26 -4.95 105.19 108.14 1n1y n GLY 422 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 1n1y n GLY 422 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1n1y s LEU 423 N 0.00 3.61 -0.23 0.99 0.20 -0.99 -1.80 118.68 120.46 1n1y s LEU 423 Ca 0.00 1.17 -0.05 0.00 0.69 0.00 0.00 54.13 55.93 1n1y s LEU 423 Cb 0.00 -3.53 -0.18 0.00 -0.43 0.00 0.00 46.19 42.05 1n1y s LEU 423 CO 0.00 -1.50 -0.09 0.52 -0.29 0.00 0.00 176.35 174.99 1n1y n VAL 424 N 7.08 1.57 -3.96 1.68 0.31 -0.32 -4.74 118.33 119.95 1n1y n VAL 424 Ca 0.19 -0.50 -0.09 0.00 -0.01 0.00 0.00 64.34 63.94 1n1y n VAL 424 Cb 0.47 -1.64 -0.09 0.00 -0.91 0.00 0.00 33.84 31.66 1n1y n VAL 424 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1n1y s GLY 425 N -5.95 0.24 -0.16 2.92 0.00 -1.16 -4.73 107.32 98.48 1n1y s GLY 425 Ca -0.33 -0.75 -0.06 0.00 0.00 0.00 0.00 44.72 43.58 1n1y s GLY 425 CO 0.61 -0.88 0.35 -0.12 0.00 0.00 0.00 173.10 173.06 1n1y s PHE 426 N -3.13 -0.61 -0.19 1.90 5.99 -1.26 -2.55 117.98 118.12 1n1y s PHE 426 Ca -0.00 1.25 -0.03 0.00 0.00 0.00 0.00 56.93 58.14 1n1y s PHE 426 Cb 0.02 0.16 -0.02 0.00 0.00 0.00 0.00 43.02 43.18 1n1y s PHE 426 CO -0.07 -0.41 -0.05 -0.51 -0.00 0.00 0.00 175.22 174.18 1n1y s LEU 427 N 2.34 2.99 0.00 6.12 1.43 -0.83 -0.18 118.68 130.54 1n1y s LEU 427 Ca -0.02 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 52.78 1n1y s LEU 427 Cb -0.12 -1.74 0.00 0.00 0.03 0.00 0.00 46.19 44.37 1n1y s LEU 427 CO -0.11 0.06 0.00 -0.24 0.23 0.00 0.00 176.35 176.29 1n1y n SER 428 N 4.24 0.00 -0.05 2.29 2.88 -1.26 -2.17 113.62 119.55 1n1y n SER 428 Ca -0.18 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.25 1n1y n SER 428 Cb 0.52 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.93 1n1y n SER 428 CO 0.00 0.00 0.00 -0.74 -1.23 0.00 0.00 175.04 173.07 1n1y h HIS 429 N 0.00 0.28 -2.71 0.66 -0.00 -1.88 -3.23 115.15 108.27 1n1y h HIS 429 Ca 0.00 -0.02 -0.53 0.00 -0.00 0.00 0.00 60.37 59.82 1n1y h HIS 429 Cb 0.00 -0.08 0.04 0.00 -0.00 0.00 0.00 27.41 27.36 1n1y h HIS 429 CO 0.00 0.35 0.98 0.45 -0.00 0.00 0.00 177.93 179.71 1n1y s SER 430 N -5.61 6.53 -0.29 3.26 0.15 -1.26 -4.60 113.70 111.88 1n1y s SER 430 Ca -0.14 2.64 -0.20 0.00 0.70 0.00 0.00 55.95 58.95 1n1y s SER 430 Cb 0.07 -2.58 0.14 0.00 -1.71 0.00 0.00 66.02 61.94 1n1y s SER 430 CO 0.71 -0.90 1.04 0.00 1.20 0.00 0.00 173.24 175.29 1n1y s ALA 431 N 1.86 -2.15 -0.03 5.45 0.00 -1.26 -2.95 121.76 122.68 1n1y s ALA 431 Ca 0.74 2.03 -0.08 0.00 0.00 0.00 0.00 51.96 54.65 1n1y s ALA 431 Cb -0.44 -1.61 0.01 0.00 0.00 0.00 0.00 23.12 21.08 1n1y s ALA 431 CO 0.32 -0.28 0.18 0.54 0.00 0.00 0.00 175.76 176.52 1n1y s ASN 432 N 0.78 -0.08 1.83 0.00 2.20 -0.49 -5.00 114.94 114.18 1n1y s ASN 432 Ca -0.03 0.04 0.00 0.00 -0.94 0.00 0.00 52.86 51.93 1n1y s ASN 432 Cb -0.04 0.29 0.00 0.00 -2.00 0.00 0.00 41.25 39.50 1n1y s ASN 432 CO -0.11 -0.27 0.00 0.61 -2.94 0.00 0.00 177.10 174.38 1n1y n GLY 433 N 1.97 3.96 1.65 0.45 0.00 -1.26 -0.85 105.19 111.12 1n1y n GLY 433 Ca -0.19 0.08 -0.03 0.00 0.00 0.00 0.00 46.02 45.87 1n1y n GLY 433 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1n1y n SER 434 N 7.01 4.25 -4.10 1.61 3.41 -1.26 -4.92 113.62 119.62 1n1y n SER 434 Ca 0.00 -3.28 -0.27 0.00 -0.26 0.00 0.00 58.87 55.05 1n1y n SER 434 Cb 0.00 -0.69 -0.17 0.00 -0.26 0.00 0.00 64.21 63.09 1n1y n SER 434 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1n1y s VAL 435 N -3.02 1.47 -0.29 -3.33 1.01 -0.03 0.13 120.40 116.34 1n1y s VAL 435 Ca 0.51 -0.68 -0.10 0.00 0.00 0.00 0.00 61.98 61.72 1n1y s VAL 435 Cb 0.42 -1.30 -0.02 0.00 0.00 0.00 0.00 36.38 35.47 1n1y s VAL 435 CO 0.10 0.43 0.15 0.86 0.00 0.00 0.00 175.10 176.64 1n1y s TRP 436 N 0.51 3.17 0.15 5.22 -0.11 0.73 -1.40 118.94 127.22 1n1y s TRP 436 Ca -0.15 -0.37 -0.30 0.00 1.22 0.00 0.00 56.10 56.50 1n1y s TRP 436 Cb -0.16 -2.34 -0.07 0.00 -1.50 0.00 0.00 33.47 29.39 1n1y s TRP 436 CO 0.05 -0.37 1.02 -1.21 -4.62 0.00 0.00 176.95 171.83 1n1y s GLU 437 N 1.65 4.67 -0.45 5.86 2.02 -1.15 -1.51 118.70 129.79 1n1y s GLU 437 Ca 0.06 1.57 -0.29 0.00 0.02 0.00 0.00 54.97 56.33 1n1y s GLU 437 Cb -0.16 -3.32 0.03 0.00 0.10 0.00 0.00 34.13 30.77 1n1y s GLU 437 CO 0.07 0.19 1.10 0.34 0.02 0.00 0.00 175.26 176.98 1n1y s ASP 438 N -0.18 6.66 0.49 -0.19 2.15 -1.26 -4.30 116.67 120.03 1n1y s ASP 438 Ca 0.47 0.51 0.28 0.00 0.43 0.00 0.00 52.55 54.24 1n1y s ASP 438 Cb -0.26 -2.54 1.36 0.00 -0.30 0.00 0.00 42.92 41.19 1n1y s ASP 438 CO 0.32 -1.17 1.82 0.58 -0.17 0.00 0.00 175.17 176.55 1n1y h VAL 439 N 6.14 0.50 -0.30 1.11 2.07 -0.96 0.78 116.25 125.59 1n1y h VAL 439 Ca -0.23 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1n1y h VAL 439 Cb 1.06 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1n1y h VAL 439 CO 1.10 0.03 0.00 -1.22 0.02 0.00 0.00 177.57 177.50 1n1y n TYR 440 N -4.36 0.39 -2.82 1.57 4.02 -1.26 -4.94 117.16 109.75 1n1y n TYR 440 Ca 0.23 -0.19 -0.22 0.00 -0.01 0.00 0.00 57.90 57.71 1n1y n TYR 440 Cb 1.02 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 40.36 1n1y n TYR 440 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1n1y n ARG 441 N 0.53 -3.90 0.02 -0.72 1.74 0.27 -4.91 116.66 109.70 1n1y n ARG 441 Ca 0.14 0.94 -0.02 0.00 -0.77 0.00 0.00 57.85 58.15 1n1y n ARG 441 Cb 0.34 -5.73 -0.01 0.00 -1.02 0.00 0.00 32.46 26.04 1n1y n ARG 441 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1n1y s VAL 443 N -2.09 1.45 0.86 0.00 1.01 -1.26 -4.94 120.40 115.43 1n1y s VAL 443 Ca -0.03 -1.71 -0.12 0.00 0.00 0.00 0.00 61.98 60.12 1n1y s VAL 443 Cb 0.01 -2.04 0.11 0.00 0.00 0.00 0.00 36.38 34.45 1n1y s VAL 443 CO 0.05 -0.58 1.13 -1.81 0.00 0.00 0.00 175.10 173.89 1n1y s ASP 444 N 1.34 3.97 -0.05 3.32 1.01 -1.26 -4.56 116.67 120.44 1n1y s ASP 444 Ca 0.08 1.05 0.06 0.00 0.71 0.00 0.00 52.55 54.46 1n1y s ASP 444 Cb -0.18 -1.68 -0.01 0.00 1.01 0.00 0.00 42.92 42.06 1n1y s ASP 444 CO -0.17 -2.27 -0.25 0.00 0.21 0.00 0.00 175.17 172.69 1n1y s ALA 445 N -3.27 2.17 0.27 5.23 0.00 -0.57 -4.59 121.76 121.00 1n1y s ALA 445 Ca 0.62 -1.06 -0.29 0.00 0.00 0.00 0.00 51.96 51.24 1n1y s ALA 445 Cb -0.14 -0.66 -0.09 0.00 0.00 0.00 0.00 23.12 22.22 1n1y s ALA 445 CO 0.53 0.43 1.00 -0.80 0.00 0.00 0.00 175.76 176.93 1n1y s ASN 446 N -0.22 7.42 0.26 0.00 0.01 -0.97 -0.20 114.94 121.25 1n1y s ASN 446 Ca -0.02 2.05 0.08 0.00 -0.71 0.00 0.00 52.86 54.27 1n1y s ASN 446 Cb -0.13 -2.61 -0.05 0.00 0.41 0.00 0.00 41.25 38.86 1n1y s ASN 446 CO 0.03 -0.01 -0.10 -0.69 -1.51 0.00 0.00 177.10 174.81 1n1y s VAL 447 N -1.25 1.82 -0.18 1.60 1.01 0.12 -1.27 120.40 122.25 1n1y s VAL 447 Ca 0.44 -2.19 -0.28 0.00 0.00 0.00 0.00 61.98 59.95 1n1y s VAL 447 Cb -0.27 -2.33 0.07 0.00 0.00 0.00 0.00 36.38 33.85 1n1y s VAL 447 CO 0.34 -0.39 0.73 0.00 0.00 0.00 0.00 175.10 175.78 1n1y s ALA 448 N -2.91 -1.79 -1.28 5.51 0.00 -1.11 -4.72 121.76 115.47 1n1y s ALA 448 Ca 0.28 1.71 -0.15 0.00 0.00 0.00 0.00 51.96 53.80 1n1y s ALA 448 Cb 0.01 -0.69 0.01 0.00 0.00 0.00 0.00 23.12 22.45 1n1y s ALA 448 CO 0.11 -0.35 0.58 0.09 0.00 0.00 0.00 175.76 176.20 1n1y n ASN 449 N 1.86 -2.89 -4.43 0.00 3.02 -1.26 -2.78 115.26 108.78 1n1y n ASN 449 Ca -0.16 -1.09 -0.21 0.00 -0.03 0.00 0.00 54.58 53.09 1n1y n ASN 449 Cb 0.56 -2.81 -0.10 0.00 -0.61 0.00 0.00 39.78 36.81 1n1y n ASN 449 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n1y s ALA 450 N -3.72 2.33 -0.05 5.41 0.00 -1.26 -2.35 121.76 122.11 1n1y s ALA 450 Ca 0.28 -1.94 -0.02 0.00 0.00 0.00 0.00 51.96 50.28 1n1y s ALA 450 Cb -0.12 0.31 0.04 0.00 0.00 0.00 0.00 23.12 23.35 1n1y s ALA 450 CO 0.90 -0.14 0.10 -2.00 0.00 0.00 0.00 175.76 174.63 1n1y s GLU 451 N -3.77 0.00 0.39 0.00 2.12 -0.71 -4.98 118.70 111.76 1n1y s GLU 451 Ca 0.31 0.39 -0.27 0.00 0.36 0.00 0.00 54.97 55.75 1n1y s GLU 451 Cb 0.05 -0.30 -0.10 0.00 0.26 0.00 0.00 34.13 34.04 1n1y s GLU 451 CO 0.12 -0.24 1.43 1.03 -0.54 0.00 0.00 175.26 177.06 1n1y s ARG 452 N 1.70 4.05 0.09 4.30 0.52 -1.26 -1.44 118.95 126.91 1n1y s ARG 452 Ca -0.02 2.44 -0.05 0.00 -0.52 0.00 0.00 55.73 57.58 1n1y s ARG 452 Cb -0.12 -2.90 -0.02 0.00 0.52 0.00 0.00 34.95 32.43 1n1y s ARG 452 CO -0.05 -0.53 0.11 0.14 0.02 0.00 0.00 175.30 174.99 1n1y s VAL 453 N -1.15 0.15 -0.25 3.52 -7.23 -0.77 -4.86 120.40 109.80 1n1y s VAL 453 Ca 0.54 -1.56 -0.36 0.00 -1.81 0.00 0.00 61.98 58.80 1n1y s VAL 453 Cb -0.44 -1.61 -0.12 0.00 0.56 0.00 0.00 36.38 34.77 1n1y s VAL 453 CO 0.59 -0.68 2.00 -2.65 -0.31 0.00 0.00 175.10 174.05 1n1y n PRO 454 N -0.03 1.46 -1.03 4.82 -0.02 -1.26 -1.53 135.00 137.40 1n1y n PRO 454 Ca -0.12 0.48 -0.01 0.00 -2.02 0.00 0.00 63.50 61.83 1n1y n PRO 454 Cb 0.62 -2.47 -0.00 0.00 -0.02 0.00 0.00 33.50 31.63 1n1y n PRO 454 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1n1y n ASN 455 N 8.01 -3.92 0.00 2.55 3.02 -1.26 -4.90 115.26 118.76 1n1y n ASN 455 Ca 0.32 0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.90 1n1y n ASN 455 Cb 0.24 -1.52 0.00 0.00 -0.61 0.00 0.00 39.78 37.89 1n1y n ASN 455 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1n1y n GLY 456 N -1.81 0.86 3.08 7.41 0.00 -0.58 -1.96 105.19 112.18 1n1y n GLY 456 Ca -0.01 -0.38 -0.11 0.00 0.00 0.00 0.00 46.02 45.52 1n1y n GLY 456 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n1y s LEU 457 N 0.00 2.34 -0.11 0.99 1.43 -0.98 -1.85 118.68 120.50 1n1y s LEU 457 Ca 0.00 -0.70 0.00 0.00 -1.03 0.00 0.00 54.13 52.40 1n1y s LEU 457 Cb 0.00 -0.05 -0.02 0.00 0.03 0.00 0.00 46.19 46.15 1n1y s LEU 457 CO 0.00 -0.33 -0.12 -0.75 0.23 0.00 0.00 176.35 175.38 1n1y s LYS 458 N -2.35 3.21 -0.05 1.70 2.20 -0.52 -1.96 119.74 121.98 1n1y s LYS 458 Ca -0.04 -0.66 -0.03 0.00 -0.36 0.00 0.00 55.97 54.89 1n1y s LYS 458 Cb -0.04 -2.61 -0.04 0.00 -1.51 0.00 0.00 37.83 33.62 1n1y s LYS 458 CO -0.02 0.33 0.10 -0.06 -0.36 0.00 0.00 175.35 175.33 1n1y s PHE 459 N 0.07 3.38 -0.30 4.03 0.40 -0.76 -1.73 117.98 123.06 1n1y s PHE 459 Ca -0.04 0.30 -0.07 0.00 -0.60 0.00 0.00 56.93 56.52 1n1y s PHE 459 Cb -0.14 -1.81 0.16 0.00 0.51 0.00 0.00 43.02 41.74 1n1y s PHE 459 CO 0.04 0.59 0.68 1.21 0.70 0.00 0.00 175.22 178.45 1n1y s ASN 460 N -1.45 -1.15 0.00 1.36 3.84 -0.99 -4.19 114.94 112.35 1n1y s ASN 460 Ca 0.20 1.16 0.00 0.00 0.21 0.00 0.00 52.86 54.43 1n1y s ASN 460 Cb -0.12 2.14 0.00 0.00 -0.55 0.00 0.00 41.25 42.72 1n1y s ASN 460 CO 0.10 -0.22 0.00 0.61 -2.79 0.00 0.00 177.10 174.80 1n1y n GLY 461 N 5.40 2.99 3.61 1.21 0.00 -1.26 -4.69 105.19 112.44 1n1y n GLY 461 Ca -0.07 -2.02 -0.47 0.00 0.00 0.00 0.00 46.02 43.46 1n1y n GLY 461 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1n1y n VAL 462 N -1.10 0.45 -0.53 1.61 0.31 -1.26 -1.18 118.33 116.62 1n1y n VAL 462 Ca 0.00 -0.23 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 1n1y n VAL 462 Cb 0.00 -2.01 0.00 0.00 -0.91 0.00 0.00 33.84 30.92 1n1y n VAL 462 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1n1y n GLY 463 N 5.23 0.76 3.67 2.92 0.00 -0.73 -4.88 105.19 112.16 1n1y n GLY 463 Ca 0.28 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.76 1n1y n GLY 463 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n1y n GLY 464 N -2.11 0.85 0.00 -0.02 0.00 -0.32 -3.91 105.19 99.68 1n1y n GLY 464 Ca 0.00 0.84 0.00 0.00 0.00 0.00 0.00 46.02 46.86 1n1y n GLY 464 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n1y n GLY 465 N 3.72 -2.05 3.03 -0.02 0.00 -1.12 -2.01 105.19 106.74 1n1y n GLY 465 Ca 0.23 -1.31 -0.15 0.00 0.00 0.00 0.00 46.02 44.79 1n1y n GLY 465 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n1y s ALA 466 N -1.49 0.59 -0.26 4.61 0.00 0.18 -2.73 121.76 122.66 1n1y s ALA 466 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.42 1n1y s ALA 466 Cb 0.00 -0.05 0.04 0.00 0.00 0.00 0.00 23.12 23.11 1n1y s ALA 466 CO 0.00 0.07 -0.08 0.08 0.00 0.00 0.00 175.76 175.83 1n1y s VAL 467 N -0.76 2.55 -0.56 0.00 1.01 -0.40 -1.65 120.40 120.60 1n1y s VAL 467 Ca -0.03 -1.31 -0.18 0.00 0.00 0.00 0.00 61.98 60.46 1n1y s VAL 467 Cb -0.06 -2.38 0.10 0.00 0.00 0.00 0.00 36.38 34.04 1n1y s VAL 467 CO 0.00 0.09 0.63 0.86 0.00 0.00 0.00 175.10 176.68 1n1y s TRP 468 N 1.23 3.08 0.21 5.22 -0.11 -0.26 -2.28 118.94 126.02 1n1y s TRP 468 Ca -0.04 -0.98 -0.31 0.00 1.22 0.00 0.00 56.10 55.99 1n1y s TRP 468 Cb -0.18 -3.85 -0.11 0.00 -1.50 0.00 0.00 33.47 27.83 1n1y s TRP 468 CO -0.05 -1.17 1.62 -2.14 -4.62 0.00 0.00 176.95 170.60 1n1y s PRO 469 N 2.36 4.17 0.00 5.86 0.02 -1.26 -0.66 135.00 145.49 1n1y s PRO 469 Ca 0.09 2.49 0.00 0.00 0.02 0.00 0.00 61.00 63.60 1n1y s PRO 469 Cb -0.25 -3.10 0.00 0.00 0.02 0.00 0.00 34.50 31.17 1n1y s PRO 469 CO 0.06 -0.65 0.00 0.28 -0.33 0.00 0.00 177.00 176.36 1n1y n VAL 470 N 3.54 0.00 -0.17 3.83 0.31 -0.83 -4.65 118.33 120.36 1n1y n VAL 470 Ca 0.13 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.47 1n1y n VAL 470 Cb 0.37 -0.11 0.27 0.00 -0.91 0.00 0.00 33.84 33.46 1n1y n VAL 470 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1n1y h ALA 471 N 0.06 1.47 0.00 3.52 0.00 -0.84 -1.69 119.26 121.79 1n1y h ALA 471 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1n1y h ALA 471 Cb 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.52 1n1y h ALA 471 CO 0.00 0.47 0.02 0.54 0.00 0.00 0.00 179.25 180.28 1n1y n ARG 472 N -4.41 0.00 0.26 0.00 1.74 -1.00 -1.72 116.66 111.52 1n1y n ARG 472 Ca 0.07 0.31 0.11 0.00 -0.77 0.00 0.00 57.85 57.57 1n1y n ARG 472 Cb 0.06 -1.52 0.70 0.00 -1.02 0.00 0.00 32.46 30.68 1n1y n ARG 472 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1n1y h GLN 473 N 0.00 0.00 0.00 5.56 4.20 -1.57 -3.49 115.11 119.82 1n1y h GLN 473 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1n1y h GLN 473 Cb 0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.82 1n1y h GLN 473 CO 0.00 0.12 0.00 0.41 -0.67 0.00 0.00 178.83 178.69 1n1y n GLY 474 N -0.83 0.84 0.46 3.46 0.00 -0.70 -4.64 105.19 103.78 1n1y n GLY 474 Ca -0.02 -1.41 -0.17 0.00 0.00 0.00 0.00 46.02 44.42 1n1y n GLY 474 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1n1y h GLN 475 N 0.00 -1.03 -5.90 1.61 4.15 -1.89 -3.40 115.11 108.64 1n1y h GLN 475 Ca 0.00 0.07 -0.57 0.00 0.77 0.00 0.00 58.65 58.92 1n1y h GLN 475 Cb 0.00 0.23 -0.07 0.00 0.21 0.00 0.00 27.48 27.86 1n1y h GLN 475 CO 0.00 -0.69 0.18 0.99 -1.93 0.00 0.00 178.83 177.38 1n1y s THR 476 N -5.56 4.99 -0.76 2.39 2.01 -1.26 -4.67 115.64 112.78 1n1y s THR 476 Ca -0.17 1.42 -0.01 0.00 0.31 0.00 0.00 61.69 63.25 1n1y s THR 476 Cb 0.03 -4.04 0.19 0.00 0.01 0.00 0.00 72.50 68.68 1n1y s THR 476 CO 0.52 0.15 0.60 -0.13 -0.69 0.00 0.00 174.62 175.07 1n1y s ARG 477 N 1.48 2.85 0.54 4.92 0.52 -0.66 -4.75 118.95 123.85 1n1y s ARG 477 Ca 0.35 -3.03 0.34 0.00 -0.52 0.00 0.00 55.73 52.87 1n1y s ARG 477 Cb -0.17 -3.76 1.40 0.00 0.52 0.00 0.00 34.95 32.94 1n1y s ARG 477 CO 0.14 -1.23 1.99 0.00 0.02 0.00 0.00 175.30 176.22 1n1y h ARG 478 N 6.24 0.00 -0.71 3.54 3.08 -1.87 -2.95 114.38 121.71 1n1y h ARG 478 Ca 0.09 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.82 1n1y h ARG 478 Cb 0.85 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 30.71 1n1y h ARG 478 CO 0.78 0.00 0.32 0.66 -1.07 0.00 0.00 179.97 180.65 1n1y n TYR 479 N -3.04 2.23 0.28 3.04 0.53 -1.26 -4.64 117.16 114.31 1n1y n TYR 479 Ca 0.00 -1.57 0.17 0.00 -1.02 0.00 0.00 57.90 55.49 1n1y n TYR 479 Cb 0.29 -0.72 0.96 0.00 -1.03 0.00 0.00 39.34 38.84 1n1y n TYR 479 CO 0.00 0.00 0.00 0.37 -1.02 0.00 0.00 176.86 176.21 1n1y h GLN 480 N 1.43 0.00 -0.07 -0.72 5.75 -1.86 -2.35 115.11 117.29 1n1y h GLN 480 Ca 0.39 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.88 1n1y h GLN 480 Cb 2.32 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 30.86 1n1y h GLN 480 CO 0.76 0.00 -0.01 0.27 -2.65 0.00 0.00 178.83 177.20 1n1y h PHE 481 N 0.00 0.10 -0.99 3.99 -0.00 -1.82 -3.06 116.94 115.15 1n1y h PHE 481 Ca 0.02 -0.00 0.22 0.00 -0.00 0.00 0.00 57.97 58.22 1n1y h PHE 481 Cb 0.17 -0.03 -0.12 0.00 -0.00 0.00 0.00 35.95 35.97 1n1y h PHE 481 CO 0.00 0.12 0.58 0.00 -0.00 0.00 0.00 178.31 179.01 1n1y h ALA 482 N 1.89 1.71 0.00 12.09 0.00 -1.50 0.36 119.26 133.81 1n1y h ALA 482 Ca 0.02 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1n1y h ALA 482 Cb 0.10 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1n1y h ALA 482 CO 0.00 -0.20 -0.10 -0.91 0.00 0.00 0.00 179.25 178.04 1n1y h ASN 483 N 0.62 0.00 0.02 0.00 2.35 -1.77 -3.07 115.58 113.73 1n1y h ASN 483 Ca 0.62 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 56.20 1n1y h ASN 483 Cb 1.10 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.45 1n1y h ASN 483 CO -0.45 0.10 -0.88 0.22 -1.65 0.00 0.00 177.43 174.77 1n1y h TYR 484 N 0.00 0.06 -2.11 1.19 3.20 -1.17 -3.41 116.97 114.72 1n1y h TYR 484 Ca -0.00 -0.04 0.05 0.00 3.14 0.00 0.00 58.73 61.87 1n1y h TYR 484 Cb 0.18 -0.00 -0.18 0.00 1.54 0.00 0.00 36.73 38.27 1n1y h TYR 484 CO 0.00 1.34 0.40 -0.98 -1.64 0.00 0.00 178.16 177.29 1n1y s ARG 485 N -2.33 0.87 0.05 1.82 1.70 -0.50 -4.46 118.95 116.11 1n1y s ARG 485 Ca -0.25 -0.07 -0.28 0.00 -0.47 0.00 0.00 55.73 54.66 1n1y s ARG 485 Cb 0.03 0.41 0.09 0.00 -0.57 0.00 0.00 34.95 34.91 1n1y s ARG 485 CO 0.65 -0.33 1.08 -0.59 -1.08 0.00 0.00 175.30 175.02 1n1y s PHE 486 N -2.20 -0.13 -0.09 5.89 -0.12 -0.83 -3.72 117.98 116.79 1n1y s PHE 486 Ca -0.01 -0.07 -0.04 0.00 -0.05 0.00 0.00 56.93 56.76 1n1y s PHE 486 Cb -0.01 0.59 0.05 0.00 -0.63 0.00 0.00 43.02 43.02 1n1y s PHE 486 CO -0.02 -0.56 0.18 0.99 -0.05 0.00 0.00 175.22 175.75 1n1y s THR 487 N -2.91 -0.25 -0.13 -4.49 2.01 -1.02 -2.28 115.64 106.57 1n1y s THR 487 Ca 0.12 0.32 0.00 0.00 0.31 0.00 0.00 61.69 62.43 1n1y s THR 487 Cb 0.01 -0.31 -0.01 0.00 0.01 0.00 0.00 72.50 72.19 1n1y s THR 487 CO -0.02 0.13 -0.14 -0.22 -0.69 0.00 0.00 174.62 173.69 1n1y s LEU 488 N 2.14 2.67 0.10 4.42 2.96 -0.24 -1.33 118.68 129.40 1n1y s LEU 488 Ca 0.01 -0.35 0.09 0.00 -0.22 0.00 0.00 54.13 53.66 1n1y s LEU 488 Cb -0.12 -1.60 -0.04 0.00 0.50 0.00 0.00 46.19 44.94 1n1y s LEU 488 CO -0.06 0.16 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.22 1n1y s VAL 489 N 0.36 1.83 -0.22 1.68 1.01 0.13 0.11 120.40 125.31 1n1y s VAL 489 Ca -0.11 -1.57 -0.28 0.00 0.00 0.00 0.00 61.98 60.01 1n1y s VAL 489 Cb -0.16 -1.65 0.13 0.00 0.00 0.00 0.00 36.38 34.70 1n1y s VAL 489 CO 0.06 -0.01 1.05 0.00 0.00 0.00 0.00 175.10 176.20 1n1y s ALA 490 N -1.12 -1.97 -0.16 5.51 0.00 -0.19 -1.06 121.76 122.77 1n1y s ALA 490 Ca 0.08 1.71 -0.08 0.00 0.00 0.00 0.00 51.96 53.67 1n1y s ALA 490 Cb -0.10 -1.06 -0.04 0.00 0.00 0.00 0.00 23.12 21.92 1n1y s ALA 490 CO 0.04 -0.27 0.10 0.99 0.00 0.00 0.00 175.76 176.63 1n1y s THR 491 N -0.58 5.17 0.13 0.00 2.01 -0.71 -0.22 115.64 121.45 1n1y s THR 491 Ca 0.01 0.10 -0.02 0.00 0.31 0.00 0.00 61.69 62.08 1n1y s THR 491 Cb -0.02 -3.31 -0.03 0.00 0.01 0.00 0.00 72.50 69.15 1n1y s THR 491 CO -0.02 0.51 0.09 0.68 -0.69 0.00 0.00 174.62 175.19 1n1y s VAL 492 N -0.15 0.10 -0.02 3.82 -7.23 -0.26 -1.18 120.40 115.49 1n1y s VAL 492 Ca 0.09 -1.82 -0.06 0.00 -1.81 0.00 0.00 61.98 58.38 1n1y s VAL 492 Cb -0.12 -2.00 0.01 0.00 0.56 0.00 0.00 36.38 34.83 1n1y s VAL 492 CO 0.01 -0.45 0.13 0.42 -0.31 0.00 0.00 175.10 174.90 1n1y s THR 493 N -4.03 0.05 -0.26 5.32 -4.23 -0.87 -0.36 115.64 111.27 1n1y s THR 493 Ca 0.23 -0.45 -0.09 0.00 -1.18 0.00 0.00 61.69 60.20 1n1y s THR 493 Cb 0.07 -0.35 -0.04 0.00 1.34 0.00 0.00 72.50 73.53 1n1y s THR 493 CO 0.01 -0.25 0.11 -0.63 -0.54 0.00 0.00 174.62 173.32 1n1y s ILE 494 N -0.85 4.65 -0.10 2.99 1.01 -1.26 -1.97 121.20 125.67 1n1y s ILE 494 Ca -0.09 -0.05 0.15 0.00 0.00 0.00 0.00 60.65 60.66 1n1y s ILE 494 Cb -0.05 -3.19 -0.18 0.00 0.01 0.00 0.00 42.46 39.05 1n1y s ILE 494 CO 0.01 0.31 0.72 0.47 0.00 0.00 0.00 174.94 176.46 1n1y n ASP 495 N 4.93 0.81 -3.75 3.58 8.00 -0.32 -1.98 116.55 127.83 1n1y n ASP 495 Ca -0.15 0.37 -0.13 0.00 0.71 0.00 0.00 54.79 55.58 1n1y n ASP 495 Cb 0.52 0.14 -0.10 0.00 -0.02 0.00 0.00 41.12 41.66 1n1y n ASP 495 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1n1y s GLU 496 N -2.79 0.53 0.17 -1.24 2.02 -1.08 -4.91 118.70 111.40 1n1y s GLU 496 Ca -0.04 0.26 -0.31 0.00 0.02 0.00 0.00 54.97 54.90 1n1y s GLU 496 Cb 0.08 0.25 -0.10 0.00 0.10 0.00 0.00 34.13 34.46 1n1y s GLU 496 CO 0.82 -0.10 1.55 -0.51 0.02 0.00 0.00 175.26 177.03 1n1y s LEU 497 N -0.37 4.37 0.74 1.80 1.43 -1.26 -4.68 118.68 120.70 1n1y s LEU 497 Ca -0.05 2.61 -0.11 0.00 -1.03 0.00 0.00 54.13 55.55 1n1y s LEU 497 Cb -0.03 -3.60 0.03 0.00 0.03 0.00 0.00 46.19 42.62 1n1y s LEU 497 CO 0.02 -0.81 1.10 -2.16 0.23 0.00 0.00 176.35 174.73 1n1y s PRO 498 N 1.00 2.61 0.07 1.29 0.04 -1.26 -5.00 135.00 133.75 1n1y s PRO 498 Ca 0.69 0.51 -0.15 0.00 0.04 0.00 0.00 61.00 62.09 1n1y s PRO 498 Cb -0.43 -1.99 -0.20 0.00 0.04 0.00 0.00 34.50 31.92 1n1y s PRO 498 CO 0.32 -1.22 1.22 -0.22 0.04 0.00 0.00 177.00 177.14 1n1y h LYS 499 N -0.79 0.65 0.00 4.56 3.64 -1.95 -3.40 116.57 119.28 1n1y h LYS 499 Ca -0.46 -0.61 0.00 0.00 -1.27 0.00 0.00 60.65 58.31 1n1y h LYS 499 Cb 1.26 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.23 1n1y h LYS 499 CO 0.62 1.22 0.00 0.41 -2.27 0.00 0.00 179.45 179.43 1n1y n GLY 500 N 0.89 1.23 3.35 5.01 0.00 -1.26 -4.77 105.19 109.65 1n1y n GLY 500 Ca -0.09 -0.17 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 1n1y n GLY 500 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n1y s THR 501 N 0.53 2.17 -0.00 2.61 2.01 -1.26 -1.28 115.64 120.41 1n1y s THR 501 Ca 0.00 -1.39 -0.03 0.00 0.31 0.00 0.00 61.69 60.58 1n1y s THR 501 Cb 0.00 -1.85 -0.00 0.00 0.01 0.00 0.00 72.50 70.66 1n1y s THR 501 CO 0.00 0.36 0.06 -0.55 -0.69 0.00 0.00 174.62 173.80 1n1y s SER 502 N -1.26 0.06 0.36 3.53 0.15 0.01 -5.00 113.70 111.54 1n1y s SER 502 Ca 0.12 -0.17 -0.26 0.00 0.70 0.00 0.00 55.95 56.35 1n1y s SER 502 Cb -0.10 0.15 -0.09 0.00 -1.71 0.00 0.00 66.02 64.27 1n1y s SER 502 CO 0.02 -0.22 1.03 -2.84 1.20 0.00 0.00 173.24 172.44 1n1y s PRO 503 N -0.87 4.36 0.00 5.44 0.02 -1.26 -1.80 135.00 140.89 1n1y s PRO 503 Ca -0.10 1.52 0.00 0.00 0.02 0.00 0.00 61.00 62.44 1n1y s PRO 503 Cb -0.06 -2.73 0.00 0.00 0.02 0.00 0.00 34.50 31.74 1n1y s PRO 503 CO 0.00 0.03 0.00 -0.11 -0.33 0.00 0.00 177.00 176.59 1n1y n LEU 504 N 0.32 1.87 0.00 -5.54 7.94 -0.98 -4.28 117.00 116.33 1n1y n LEU 504 Ca 0.03 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.93 1n1y n LEU 504 Cb 0.49 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.44 1n1y n LEU 504 CO 0.46 0.31 0.00 -0.11 -1.11 0.00 0.00 177.39 176.95 1n1y n LEU 505 N -2.16 0.00 0.00 -1.96 7.94 -1.14 -1.45 117.00 118.23 1n1y n LEU 505 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1n1y n LEU 505 Cb 0.39 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.34 1n1y n LEU 505 CO 0.00 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 176.89 1n1y n GLY 506 N -0.04 -0.89 3.17 -3.96 0.00 -0.92 0.01 105.19 102.56 1n1y n GLY 506 Ca 0.00 -1.02 -0.30 0.00 0.00 0.00 0.00 46.02 44.70 1n1y n GLY 506 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n1y s ALA 507 N -1.00 1.91 0.25 4.61 0.00 0.22 -0.91 121.76 126.85 1n1y s ALA 507 Ca 0.00 -0.83 0.08 0.00 0.00 0.00 0.00 51.96 51.22 1n1y s ALA 507 Cb 0.00 -0.72 -0.04 0.00 0.00 0.00 0.00 23.12 22.36 1n1y s ALA 507 CO 0.00 0.26 0.07 0.20 0.00 0.00 0.00 175.76 176.29 1n1y s GLY 508 N 0.35 1.58 0.14 0.00 0.00 -0.85 -0.89 107.32 107.65 1n1y s GLY 508 Ca -0.16 -1.52 0.07 0.00 0.00 0.00 0.00 44.72 43.11 1n1y s GLY 508 CO 0.07 -1.57 -0.03 1.08 0.00 0.00 0.00 173.10 172.65 1n1y s LEU 509 N -3.62 3.25 0.63 0.66 1.43 -0.91 -0.65 118.68 119.48 1n1y s LEU 509 Ca 0.31 -0.36 -0.16 0.00 -1.03 0.00 0.00 54.13 52.89 1n1y s LEU 509 Cb -0.07 -1.96 -0.01 0.00 0.03 0.00 0.00 46.19 44.17 1n1y s LEU 509 CO 0.22 0.13 1.13 -1.61 0.23 0.00 0.00 176.35 176.44 1n1y s GLU 510 N -2.63 2.89 0.00 1.70 0.41 -0.93 -4.68 118.70 115.46 1n1y s GLU 510 Ca 0.25 1.51 0.00 0.00 -0.41 0.00 0.00 54.97 56.32 1n1y s GLU 510 Cb -0.10 -1.95 0.00 0.00 -1.78 0.00 0.00 34.13 30.30 1n1y s GLU 510 CO 0.17 -1.20 0.00 0.41 -0.49 0.00 0.00 175.26 174.15 1n1y n GLY 511 N -0.20 -1.25 3.54 -1.39 0.00 -1.26 -5.00 105.19 99.63 1n1y n GLY 511 Ca 0.11 -2.24 -0.32 0.00 0.00 0.00 0.00 46.02 43.57 1n1y n GLY 511 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1n1y n PRO 512 N -0.54 -0.58 0.00 1.61 -0.02 -1.26 -4.71 135.00 129.50 1n1y n PRO 512 Ca 0.00 -0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 1n1y n PRO 512 Cb 0.00 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 1n1y n PRO 512 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n1y n GLY 513 N 0.89 1.11 2.53 -1.23 0.00 -1.26 -4.31 105.19 102.92 1n1y n GLY 513 Ca 0.09 -0.62 -0.11 0.00 0.00 0.00 0.00 46.02 45.37 1n1y n GLY 513 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1n1y n ASP 514 N -2.26 0.50 -4.71 1.61 3.85 -1.26 -5.11 116.55 109.17 1n1y n ASP 514 Ca 0.00 -2.85 -0.33 0.00 -0.71 0.00 0.00 54.79 50.90 1n1y n ASP 514 Cb 0.00 -0.15 0.11 0.00 -1.35 0.00 0.00 41.12 39.73 1n1y n ASP 514 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1n1y s ALA 515 N -2.19 1.96 0.13 2.12 0.00 -1.26 -4.91 121.76 117.61 1n1y s ALA 515 Ca 0.30 0.78 0.07 0.00 0.00 0.00 0.00 51.96 53.11 1n1y s ALA 515 Cb 0.41 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 20.03 1n1y s ALA 515 CO -0.02 -2.10 -0.17 0.15 0.00 0.00 0.00 175.76 173.62 1n1y s LYS 516 N -4.15 1.11 -0.15 0.00 3.01 -1.26 -2.13 119.74 116.17 1n1y s LYS 516 Ca 0.72 -1.26 -0.18 0.00 -1.01 0.00 0.00 55.97 54.24 1n1y s LYS 516 Cb -0.27 -1.13 -0.24 0.00 -1.01 0.00 0.00 37.83 35.18 1n1y s LYS 516 CO 0.49 0.23 0.41 1.25 0.51 0.00 0.00 175.35 178.24 1n1y h LEU 517 N 3.59 0.21 -7.00 3.17 5.85 -1.33 -3.39 115.31 116.41 1n1y h LEU 517 Ca -0.42 -0.74 -0.00 0.00 0.84 0.00 0.00 57.88 57.55 1n1y h LEU 517 Cb 1.20 -0.07 -0.21 0.00 0.37 0.00 0.00 40.66 41.95 1n1y h LEU 517 CO 0.48 1.56 0.33 -0.22 -0.34 0.00 0.00 178.44 180.25 1n1y s LEU 518 N -7.65 -0.55 0.00 2.25 2.96 -1.24 -2.03 118.68 112.43 1n1y s LEU 518 Ca -0.24 0.62 0.00 0.00 -0.22 0.00 0.00 54.13 54.29 1n1y s LEU 518 Cb 0.05 2.27 0.00 0.00 0.50 0.00 0.00 46.19 49.01 1n1y s LEU 518 CO 0.69 -0.49 0.00 0.61 -1.32 0.00 0.00 176.35 175.84 1n1y n GLY 519 N 0.90 -1.45 2.96 7.98 0.00 -1.12 -0.61 105.19 113.86 1n1y n GLY 519 Ca -0.15 -1.02 -0.17 0.00 0.00 0.00 0.00 46.02 44.68 1n1y n GLY 519 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1n1y s LEU 520 N 0.00 1.92 0.10 0.99 2.96 0.10 -1.93 118.68 122.82 1n1y s LEU 520 Ca 0.00 -0.11 0.02 0.00 -0.22 0.00 0.00 54.13 53.82 1n1y s LEU 520 Cb 0.00 -0.33 -0.04 0.00 0.50 0.00 0.00 46.19 46.32 1n1y s LEU 520 CO 0.00 0.06 -0.07 -0.55 -1.32 0.00 0.00 176.35 174.46 1n1y s SER 521 N -0.00 1.21 0.09 3.68 0.15 0.02 -2.32 113.70 116.52 1n1y s SER 521 Ca 0.01 -0.94 0.06 0.00 0.70 0.00 0.00 55.95 55.78 1n1y s SER 521 Cb -0.04 0.07 -0.03 0.00 -1.71 0.00 0.00 66.02 64.31 1n1y s SER 521 CO -0.00 -0.40 -0.17 -0.72 1.20 0.00 0.00 173.24 173.15 1n1y s TYR 522 N -3.24 1.46 0.00 3.44 -0.85 -0.74 0.25 117.35 117.67 1n1y s TYR 522 Ca 0.09 -0.46 0.00 0.00 -0.52 0.00 0.00 57.07 56.18 1n1y s TYR 522 Cb 0.03 -0.80 0.00 0.00 0.38 0.00 0.00 41.96 41.57 1n1y s TYR 522 CO -0.03 0.13 0.00 -0.40 -1.52 0.00 0.00 175.55 173.73 1n1y n ASP 523 N 1.04 1.67 0.02 -0.18 5.68 -1.10 -0.81 116.55 122.87 1n1y n ASP 523 Ca -0.19 -0.96 0.11 0.00 -0.50 0.00 0.00 54.79 53.25 1n1y n ASP 523 Cb 0.55 0.00 0.48 0.00 -1.14 0.00 0.00 41.12 41.01 1n1y n ASP 523 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1n1y n LYS 524 N 0.00 0.05 -0.31 0.11 2.85 -0.41 -3.25 118.16 117.20 1n1y n LYS 524 Ca 0.00 0.14 0.12 0.00 -1.05 0.00 0.00 58.31 57.52 1n1y n LYS 524 Cb 0.00 -1.57 0.29 0.00 -0.65 0.00 0.00 35.03 33.10 1n1y n LYS 524 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1n1y n ASN 525 N -1.66 3.80 -1.86 -5.58 3.02 -1.26 -4.94 115.26 106.79 1n1y n ASN 525 Ca 0.05 -2.00 -0.12 0.00 -0.03 0.00 0.00 54.58 52.48 1n1y n ASN 525 Cb 0.29 -0.41 0.03 0.00 -0.61 0.00 0.00 39.78 39.07 1n1y n ASN 525 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1n1y n ARG 526 N 1.61 -3.11 -4.47 3.52 1.74 -1.20 -4.93 116.66 109.83 1n1y n ARG 526 Ca 0.23 0.48 -0.29 0.00 -0.77 0.00 0.00 57.85 57.50 1n1y n ARG 526 Cb 0.62 -4.44 -0.13 0.00 -1.02 0.00 0.00 32.46 27.49 1n1y n ARG 526 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1n1y s GLN 527 N -5.31 1.44 0.37 5.56 -0.21 -1.26 -0.67 119.66 119.57 1n1y s GLN 527 Ca 0.21 -1.28 -0.24 0.00 0.02 0.00 0.00 55.36 54.07 1n1y s GLN 527 Cb -0.09 -1.85 -0.10 0.00 1.00 0.00 0.00 33.01 31.97 1n1y s GLN 527 CO 0.25 0.44 0.95 -1.58 -2.12 0.00 0.00 175.29 173.24 1n1y s TRP 528 N -1.02 3.51 -0.50 0.91 0.52 -0.36 -2.72 118.94 119.27 1n1y s TRP 528 Ca 0.13 1.70 0.03 0.00 0.02 0.00 0.00 56.10 57.98 1n1y s TRP 528 Cb -0.10 -2.91 0.14 0.00 -1.15 0.00 0.00 33.47 29.45 1n1y s TRP 528 CO 0.05 0.02 0.29 1.03 0.02 0.00 0.00 176.95 178.36 1n1y s ARG 529 N -2.54 1.65 0.42 4.98 0.52 0.68 -1.61 118.95 123.05 1n1y s ARG 529 Ca 0.56 -2.41 -0.24 0.00 -0.52 0.00 0.00 55.73 53.12 1n1y s ARG 529 Cb -0.15 -2.74 -0.08 0.00 0.52 0.00 0.00 34.95 32.50 1n1y s ARG 529 CO 0.20 -1.18 1.10 -2.14 0.02 0.00 0.00 175.30 173.30 1n1y s PRO 530 N -0.14 4.03 -0.15 3.54 0.02 -1.26 -0.80 135.00 140.24 1n1y s PRO 530 Ca 0.20 1.64 0.02 0.00 0.02 0.00 0.00 61.00 62.87 1n1y s PRO 530 Cb -0.20 -2.53 0.01 0.00 0.02 0.00 0.00 34.50 31.80 1n1y s PRO 530 CO -0.04 -0.28 -0.20 -0.51 -0.33 0.00 0.00 177.00 175.64 1n1y s LEU 531 N -2.72 2.22 -0.68 -5.54 1.43 -0.81 -4.58 118.68 108.00 1n1y s LEU 531 Ca 0.59 -0.57 0.05 0.00 -1.03 0.00 0.00 54.13 53.17 1n1y s LEU 531 Cb -0.25 -1.48 0.17 0.00 0.03 0.00 0.00 46.19 44.66 1n1y s LEU 531 CO 0.31 0.07 0.49 -1.22 0.23 0.00 0.00 176.35 176.24 1n1y n TYR 532 N 4.11 2.85 -2.12 0.29 4.02 -1.26 -2.77 117.16 122.28 1n1y n TYR 532 Ca -0.20 -4.21 0.00 0.00 -0.01 0.00 0.00 57.90 53.48 1n1y n TYR 532 Cb 0.51 -0.54 0.00 0.00 -0.02 0.00 0.00 39.34 39.30 1n1y n TYR 532 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1n1y n GLY 533 N 2.01 0.32 0.01 2.72 0.00 -0.86 -3.68 105.19 105.72 1n1y n GLY 533 Ca 0.21 -0.84 0.12 0.00 0.00 0.00 0.00 46.02 45.51 1n1y n GLY 533 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n1y n ALA 534 N 8.80 3.44 -1.72 4.61 0.00 -1.26 -4.69 120.51 129.69 1n1y n ALA 534 Ca 0.00 -0.34 -0.42 0.00 0.00 0.00 0.00 53.44 52.68 1n1y n ALA 534 Cb 0.00 -1.12 -0.01 0.00 0.00 0.00 0.00 19.45 18.32 1n1y n ALA 534 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n1y n ALA 535 N -1.57 1.75 -1.64 0.00 0.00 -1.24 -4.90 120.51 112.90 1n1y n ALA 535 Ca 0.05 0.37 -0.45 0.00 0.00 0.00 0.00 53.44 53.41 1n1y n ALA 535 Cb 0.36 -2.34 -0.02 0.00 0.00 0.00 0.00 19.45 17.45 1n1y n ALA 535 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1n1y n PRO 536 N 1.11 1.70 -2.78 0.00 -0.04 -1.26 -4.52 135.00 129.21 1n1y n PRO 536 Ca 0.06 0.60 -0.43 0.00 -0.04 0.00 0.00 63.50 63.69 1n1y n PRO 536 Cb 0.36 -2.12 -0.03 0.00 -0.04 0.00 0.00 33.50 31.67 1n1y n PRO 536 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1n1y s ALA 537 N -0.64 3.10 -0.00 0.55 0.00 -1.26 -4.95 121.76 118.56 1n1y s ALA 537 Ca 0.63 -2.54 -0.26 0.00 0.00 0.00 0.00 51.96 49.78 1n1y s ALA 537 Cb -0.68 -4.23 -0.04 0.00 0.00 0.00 0.00 23.12 18.17 1n1y s ALA 537 CO 0.56 -3.23 0.82 -1.54 0.00 0.00 0.00 175.76 172.38 1n1y s SER 538 N 4.15 7.21 0.72 0.00 1.04 -1.26 -4.93 113.70 120.62 1n1y s SER 538 Ca 0.38 1.45 -0.11 0.00 0.48 0.00 0.00 55.95 58.14 1n1y s SER 538 Cb -0.03 -2.49 0.03 0.00 0.10 0.00 0.00 66.02 63.62 1n1y s SER 538 CO -0.09 -0.12 1.08 -2.16 0.98 0.00 0.00 173.24 172.93 1n1y s PRO 539 N 0.57 2.64 0.17 4.02 0.04 -1.26 -4.58 135.00 136.61 1n1y s PRO 539 Ca 0.43 1.11 -0.24 0.00 0.04 0.00 0.00 61.00 62.34 1n1y s PRO 539 Cb -0.20 -1.95 0.06 0.00 0.04 0.00 0.00 34.50 32.45 1n1y s PRO 539 CO 0.23 -1.34 0.81 -0.08 0.04 0.00 0.00 177.00 176.67 1n1y s THR 540 N -2.87 0.00 0.01 1.26 -1.32 -0.63 -4.99 115.64 107.09 1n1y s THR 540 Ca 0.61 -0.57 0.00 0.00 -1.21 0.00 0.00 61.69 60.52 1n1y s THR 540 Cb -0.16 -1.69 0.00 0.00 -1.51 0.00 0.00 72.50 69.14 1n1y s THR 540 CO 0.53 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.55 1n1y n GLY 541 N -0.42 -1.15 3.25 6.08 0.00 -1.26 -1.23 105.19 110.46 1n1y n GLY 541 Ca -0.08 -1.07 -0.13 0.00 0.00 0.00 0.00 46.02 44.74 1n1y n GLY 541 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1n1y s SER 542 N -4.06 -0.35 0.13 1.61 0.15 -1.26 -4.47 113.70 105.44 1n1y s SER 542 Ca 0.00 0.61 -0.01 0.00 0.70 0.00 0.00 55.95 57.25 1n1y s SER 542 Cb 0.00 0.66 -0.04 0.00 -1.71 0.00 0.00 66.02 64.93 1n1y s SER 542 CO 0.00 -0.19 0.04 -1.66 1.20 0.00 0.00 173.24 172.62 1n1y s TRP 543 N -0.11 0.87 0.06 3.44 1.48 0.15 -4.97 118.94 119.85 1n1y s TRP 543 Ca -0.03 -1.18 0.07 0.00 -1.06 0.00 0.00 56.10 53.91 1n1y s TRP 543 Cb -0.03 -0.50 -0.03 0.00 -1.16 0.00 0.00 33.47 31.75 1n1y s TRP 543 CO 0.01 -0.45 -0.21 -1.21 -4.06 0.00 0.00 176.95 171.03 1n1y s GLU 544 N -4.01 1.33 0.50 3.25 0.41 -1.26 -4.81 118.70 114.12 1n1y s GLU 544 Ca 0.22 -0.99 -0.23 0.00 -0.41 0.00 0.00 54.97 53.56 1n1y s GLU 544 Cb 0.07 -1.48 -0.07 0.00 -1.78 0.00 0.00 34.13 30.87 1n1y s GLU 544 CO 0.00 0.37 1.28 1.28 -0.49 0.00 0.00 175.26 177.70 1n1y n LEU 545 N 1.68 4.70 0.00 1.80 4.77 -1.26 -3.05 117.00 125.63 1n1y n LEU 545 Ca -0.18 1.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.82 1n1y n LEU 545 Cb 0.53 -1.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.10 1n1y n LEU 545 CO 0.23 -0.75 0.00 1.41 -1.33 0.00 0.00 177.39 176.95 1n1y n HIS 546 N -0.77 0.00 -3.68 -1.77 8.25 -0.84 -4.99 115.22 111.43 1n1y n HIS 546 Ca 0.09 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.18 1n1y n HIS 546 Cb 0.43 -1.19 -0.06 0.00 1.12 0.00 0.00 29.99 30.29 1n1y n HIS 546 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 1n1y s LYS 547 N -1.14 3.73 -0.00 -0.41 2.20 -1.17 -4.94 119.74 118.01 1n1y s LYS 547 Ca 0.00 0.13 -0.30 0.00 -0.36 0.00 0.00 55.97 55.44 1n1y s LYS 547 Cb 0.00 -3.22 -0.03 0.00 -1.51 0.00 0.00 37.83 33.06 1n1y s LYS 547 CO 0.00 0.69 1.05 -1.59 -0.36 0.00 0.00 175.35 175.14 1n1y s LYS 548 N -0.92 4.50 -0.02 4.03 -2.85 -1.26 -4.38 119.74 118.83 1n1y s LYS 548 Ca 0.19 1.52 0.05 0.00 -1.00 0.00 0.00 55.97 56.72 1n1y s LYS 548 Cb -0.14 -3.45 -0.01 0.00 -2.06 0.00 0.00 37.83 32.17 1n1y s LYS 548 CO 0.08 -0.16 -0.16 0.71 0.10 0.00 0.00 175.35 175.92 1n1y s TYR 549 N 1.24 1.45 -0.13 1.78 1.51 0.51 -4.96 117.35 118.75 1n1y s TYR 549 Ca 0.53 -0.32 -0.23 0.00 -1.01 0.00 0.00 57.07 56.05 1n1y s TYR 549 Cb -0.23 -0.95 -0.03 0.00 -0.11 0.00 0.00 41.96 40.64 1n1y s TYR 549 CO 0.27 -0.06 0.69 -1.58 -1.11 0.00 0.00 175.55 173.75 1n1y s HIS 550 N -0.24 3.48 -0.07 2.71 2.46 -1.26 -1.10 115.29 121.27 1n1y s HIS 550 Ca 0.03 1.12 0.06 0.00 0.47 0.00 0.00 55.06 56.74 1n1y s HIS 550 Cb -0.08 -2.83 -0.01 0.00 -0.13 0.00 0.00 32.58 29.54 1n1y s HIS 550 CO 0.00 -0.05 -0.24 0.08 -2.47 0.00 0.00 174.74 172.05 1n1y s VAL 551 N 1.40 2.09 -0.02 0.89 1.01 0.70 -1.97 120.40 124.50 1n1y s VAL 551 Ca 0.34 -1.05 0.00 0.00 0.00 0.00 0.00 61.98 61.28 1n1y s VAL 551 Cb -0.17 -1.76 0.02 0.00 0.00 0.00 0.00 36.38 34.47 1n1y s VAL 551 CO 0.14 0.57 0.00 -0.69 0.00 0.00 0.00 175.10 175.12 1n1y s VAL 552 N -0.06 0.09 -0.14 2.92 1.01 -0.95 -1.02 120.40 122.25 1n1y s VAL 552 Ca -0.07 0.06 0.01 0.00 0.00 0.00 0.00 61.98 61.99 1n1y s VAL 552 Cb -0.15 -0.15 0.00 0.00 0.00 0.00 0.00 36.38 36.08 1n1y s VAL 552 CO 0.05 0.09 -0.18 -0.76 0.00 0.00 0.00 175.10 174.29 1n1y s LEU 553 N 0.62 2.33 -0.03 3.92 1.43 0.12 -1.35 118.68 125.72 1n1y s LEU 553 Ca -0.06 -0.51 0.07 0.00 -1.03 0.00 0.00 54.13 52.61 1n1y s LEU 553 Cb -0.08 -1.51 -0.02 0.00 0.03 0.00 0.00 46.19 44.61 1n1y s LEU 553 CO -0.01 0.11 -0.25 0.28 0.23 0.00 0.00 176.35 176.70 1n1y s THR 554 N 0.68 2.11 -0.24 5.49 -1.32 -0.44 -1.08 115.64 120.85 1n1y s THR 554 Ca -0.09 -1.08 -0.03 0.00 -1.21 0.00 0.00 61.69 59.29 1n1y s THR 554 Cb -0.16 -1.74 0.12 0.00 -1.51 0.00 0.00 72.50 69.21 1n1y s THR 554 CO 0.02 0.58 0.31 -0.32 -2.21 0.00 0.00 174.62 173.00 1n1y s MET 555 N -0.54 0.29 0.08 7.08 0.00 -0.96 -1.80 119.30 123.45 1n1y s MET 555 Ca 0.08 0.30 -0.12 0.00 0.00 0.00 0.00 55.69 55.95 1n1y s MET 555 Cb -0.11 -0.76 0.02 0.00 0.00 0.00 0.00 34.83 33.98 1n1y s MET 555 CO -0.00 -0.72 0.29 0.00 0.00 0.00 0.00 175.02 174.59 1n1y s ALA 556 N 2.44 -0.57 -1.70 4.11 0.00 -1.07 -1.96 121.76 123.01 1n1y s ALA 556 Ca 0.10 -0.25 -0.20 0.00 0.00 0.00 0.00 51.96 51.61 1n1y s ALA 556 Cb -0.15 0.49 0.18 0.00 0.00 0.00 0.00 23.12 23.63 1n1y s ALA 556 CO -0.17 -0.51 0.71 -0.25 0.00 0.00 0.00 175.76 175.53 1n1y n ASP 557 N 0.11 -2.89 -0.50 0.00 8.00 -1.26 0.12 116.55 120.12 1n1y n ASP 557 Ca -0.17 -1.02 -0.07 0.00 0.71 0.00 0.00 54.79 54.25 1n1y n ASP 557 Cb 0.62 -2.40 -0.03 0.00 -0.02 0.00 0.00 41.12 39.29 1n1y n ASP 557 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1n1y n ARG 558 N -4.22 -1.52 -3.62 -1.24 1.74 -1.26 -4.97 116.66 101.57 1n1y n ARG 558 Ca 0.09 0.68 -0.20 0.00 -0.77 0.00 0.00 57.85 57.65 1n1y n ARG 558 Cb 0.48 -4.94 -0.01 0.00 -1.02 0.00 0.00 32.46 26.96 1n1y n ARG 558 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1n1y s GLN 559 N -2.36 3.09 0.01 5.56 -0.21 0.32 -0.33 119.66 125.73 1n1y s GLN 559 Ca 0.00 -1.03 -0.01 0.00 0.02 0.00 0.00 55.36 54.34 1n1y s GLN 559 Cb 0.00 -2.76 -0.01 0.00 1.00 0.00 0.00 33.01 31.24 1n1y s GLN 559 CO 0.00 0.13 0.01 0.20 -2.12 0.00 0.00 175.29 173.51 1n1y s GLY 560 N -4.10 0.11 -0.04 3.09 0.00 -0.30 -2.58 107.32 103.49 1n1y s GLY 560 Ca 0.42 -0.25 -0.16 0.00 0.00 0.00 0.00 44.72 44.73 1n1y s GLY 560 CO 0.30 -0.30 0.35 -0.56 0.00 0.00 0.00 173.10 172.89 1n1y s SER 561 N -0.76 -0.26 -0.06 1.64 0.01 -0.74 -0.16 113.70 113.37 1n1y s SER 561 Ca -0.08 0.25 0.01 0.00 1.31 0.00 0.00 55.95 57.44 1n1y s SER 561 Cb -0.05 0.41 0.02 0.00 0.21 0.00 0.00 66.02 66.61 1n1y s SER 561 CO -0.00 -0.41 -0.06 -0.69 0.41 0.00 0.00 173.24 172.49 1n1y s VAL 562 N -1.06 0.67 -0.02 3.43 1.01 -1.26 -1.33 120.40 121.85 1n1y s VAL 562 Ca -0.11 -0.17 0.05 0.00 0.00 0.00 0.00 61.98 61.75 1n1y s VAL 562 Cb -0.04 -0.69 -0.03 0.00 0.00 0.00 0.00 36.38 35.62 1n1y s VAL 562 CO 0.04 0.26 -0.16 -0.31 0.00 0.00 0.00 175.10 174.94 1n1y s TYR 563 N 1.07 2.64 -0.10 5.22 1.51 -0.46 -2.15 117.35 125.07 1n1y s TYR 563 Ca -0.08 -0.21 0.01 0.00 -1.01 0.00 0.00 57.07 55.78 1n1y s TYR 563 Cb -0.14 -1.57 0.02 0.00 -0.11 0.00 0.00 41.96 40.16 1n1y s TYR 563 CO -0.01 0.20 -0.12 0.08 -1.11 0.00 0.00 175.55 174.59 1n1y s VAL 564 N -0.80 1.26 -1.99 0.71 1.01 -0.29 -2.24 120.40 118.05 1n1y s VAL 564 Ca 0.13 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.62 1n1y s VAL 564 Cb -0.11 -1.19 0.00 0.00 0.00 0.00 0.00 36.38 35.08 1n1y s VAL 564 CO 0.02 0.40 0.00 0.47 0.00 0.00 0.00 175.10 175.99 1n1y n ASP 565 N 4.40 -5.30 0.00 3.32 8.00 -0.83 -2.33 116.55 123.81 1n1y n ASP 565 Ca -0.18 0.44 0.00 0.00 0.71 0.00 0.00 54.79 55.77 1n1y n ASP 565 Cb 0.51 -4.46 0.00 0.00 -0.02 0.00 0.00 41.12 37.15 1n1y n ASP 565 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1n1y n GLY 566 N -0.66 1.82 3.68 0.44 0.00 -1.26 -5.02 105.19 104.19 1n1y n GLY 566 Ca -0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.55 1n1y n GLY 566 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1n1y s GLN 567 N -0.97 2.49 0.54 1.61 -1.52 -0.98 -4.94 119.66 115.88 1n1y s GLN 567 Ca 0.00 -0.99 -0.16 0.00 -1.95 0.00 0.00 55.36 52.27 1n1y s GLN 567 Cb 0.00 -2.45 -0.07 0.00 -0.22 0.00 0.00 33.01 30.27 1n1y s GLN 567 CO 0.00 0.49 1.00 -2.14 -0.25 0.00 0.00 175.29 174.39 1n1y s PRO 568 N -2.70 3.83 0.22 2.91 0.02 -1.26 -1.14 135.00 136.88 1n1y s PRO 568 Ca 0.27 0.97 0.04 0.00 0.02 0.00 0.00 61.00 62.30 1n1y s PRO 568 Cb -0.10 -2.12 -0.03 0.00 0.02 0.00 0.00 34.50 32.27 1n1y s PRO 568 CO 0.19 -0.37 0.34 -0.51 -0.33 0.00 0.00 177.00 176.32 1n1y s LEU 569 N -4.24 4.32 0.31 -5.54 1.43 -0.92 -4.87 118.68 109.18 1n1y s LEU 569 Ca 0.59 0.09 -0.29 0.00 -1.03 0.00 0.00 54.13 53.49 1n1y s LEU 569 Cb -0.11 -2.87 -0.13 0.00 0.03 0.00 0.00 46.19 43.12 1n1y s LEU 569 CO 0.34 -0.04 1.30 0.00 0.23 0.00 0.00 176.35 178.18 1n1y n ALA 570 N -1.21 1.15 0.00 4.21 0.00 -1.26 -2.03 120.51 121.37 1n1y n ALA 570 Ca -0.09 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1n1y n ALA 570 Cb 0.56 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.77 1n1y n ALA 570 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n1y n GLY 571 N 1.14 3.43 3.69 0.00 0.00 -1.26 -4.99 105.19 107.20 1n1y n GLY 571 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 1n1y n GLY 571 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1n1y n SER 572 N 0.00 3.89 0.00 1.61 7.64 -0.86 -2.78 113.62 123.12 1n1y n SER 572 Ca 0.00 1.00 0.00 0.00 1.01 0.00 0.00 58.87 60.88 1n1y n SER 572 Cb 0.00 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 61.68 1n1y n SER 572 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1n1y n GLY 573 N 4.15 0.98 3.83 0.23 0.00 0.78 -4.96 105.19 110.19 1n1y n GLY 573 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 1n1y n GLY 573 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1n1y s ASN 574 N -0.53 6.96 0.29 1.61 -0.87 -1.12 -4.66 114.94 116.61 1n1y s ASN 574 Ca 0.00 1.36 -0.30 0.00 -1.57 0.00 0.00 52.86 52.35 1n1y s ASN 574 Cb 0.00 -2.40 -0.11 0.00 -0.02 0.00 0.00 41.25 38.72 1n1y s ASN 574 CO 0.00 -0.04 1.58 -0.89 -2.57 0.00 0.00 177.10 175.18 1n1y s THR 575 N -1.67 2.12 -0.88 1.60 2.01 -1.26 -1.15 115.64 116.40 1n1y s THR 575 Ca 0.46 0.10 0.09 0.00 0.31 0.00 0.00 61.69 62.65 1n1y s THR 575 Cb -0.14 -3.06 0.01 0.00 0.01 0.00 0.00 72.50 69.31 1n1y s THR 575 CO 0.20 0.02 0.62 1.33 -0.69 0.00 0.00 174.62 176.10 1n1y n VAL 576 N 2.21 0.00 -3.66 3.82 0.24 0.55 -4.82 118.33 116.66 1n1y n VAL 576 Ca 0.08 -0.41 -0.08 0.00 -2.04 0.00 0.00 64.34 61.88 1n1y n VAL 576 Cb 0.38 1.12 -0.09 0.00 -1.47 0.00 0.00 33.84 33.78 1n1y n VAL 576 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1n1y s VAL 577 N -1.23 -0.03 -0.16 3.34 0.11 -1.25 -4.46 120.40 116.72 1n1y s VAL 577 Ca 0.08 0.04 -0.08 0.00 -2.93 0.00 0.00 61.98 59.09 1n1y s VAL 577 Cb 0.07 -0.83 -0.04 0.00 -1.53 0.00 0.00 36.38 34.05 1n1y s VAL 577 CO 0.22 0.02 0.12 -0.13 -3.33 0.00 0.00 175.10 172.00 1n1y s ARG 578 N 1.57 3.76 0.00 1.54 3.00 -1.26 -4.98 118.95 122.58 1n1y s ARG 578 Ca -0.10 -0.20 0.00 0.00 0.00 0.00 0.00 55.73 55.43 1n1y s ARG 578 Cb -0.07 -3.26 0.00 0.00 0.00 0.00 0.00 34.95 31.62 1n1y s ARG 578 CO -0.17 0.54 0.00 0.41 0.00 0.00 0.00 175.30 176.08 1n1y n GLY 579 N 2.75 2.77 0.11 -3.53 0.00 -1.26 -4.83 105.19 101.21 1n1y n GLY 579 Ca -0.18 -2.05 0.12 0.00 0.00 0.00 0.00 46.02 43.92 1n1y n GLY 579 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n1y n ALA 580 N -0.59 3.36 -1.92 4.61 0.00 -1.26 -4.88 120.51 119.84 1n1y n ALA 580 Ca 0.00 -0.38 -0.40 0.00 0.00 0.00 0.00 53.44 52.65 1n1y n ALA 580 Cb 0.00 -1.12 -0.05 0.00 0.00 0.00 0.00 19.45 18.28 1n1y n ALA 580 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1n1y s THR 581 N -2.77 4.00 0.42 0.00 2.01 -1.26 -5.02 115.64 113.02 1n1y s THR 581 Ca 0.17 1.88 -0.24 0.00 0.31 0.00 0.00 61.69 63.81 1n1y s THR 581 Cb 0.18 -4.20 -0.08 0.00 0.01 0.00 0.00 72.50 68.41 1n1y s THR 581 CO 0.62 0.39 1.12 -0.76 -0.69 0.00 0.00 174.62 175.30 1n1y s LEU 582 N -0.84 4.11 0.82 4.42 1.43 -1.26 -5.00 118.68 122.36 1n1y s LEU 582 Ca 0.44 2.21 -0.10 0.00 -1.03 0.00 0.00 54.13 55.65 1n1y s LEU 582 Cb -0.27 -4.16 0.09 0.00 0.03 0.00 0.00 46.19 41.87 1n1y s LEU 582 CO 0.34 -0.69 1.10 -2.84 0.23 0.00 0.00 176.35 174.49 1n1y s PRO 583 N -2.52 1.84 -0.66 1.29 0.02 -1.26 -5.01 135.00 128.70 1n1y s PRO 583 Ca 0.60 1.24 0.05 0.00 0.02 0.00 0.00 61.00 62.91 1n1y s PRO 583 Cb -0.26 -1.84 0.18 0.00 0.02 0.00 0.00 34.50 32.59 1n1y s PRO 583 CO 0.33 -1.96 0.51 -3.47 -0.33 0.00 0.00 177.00 172.08 1n1y n ASP 584 N -3.75 2.64 -4.69 2.53 2.03 -1.26 -4.82 116.55 109.24 1n1y n ASP 584 Ca 0.10 -3.13 -0.42 0.00 0.52 0.00 0.00 54.79 51.85 1n1y n ASP 584 Cb 0.53 -0.72 -0.03 0.00 -0.72 0.00 0.00 41.12 40.18 1n1y n ASP 584 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1n1y s ILE 585 N -1.42 2.67 -0.04 5.18 1.01 -1.26 -2.18 121.20 125.16 1n1y s ILE 585 Ca 0.28 0.14 -0.21 0.00 0.00 0.00 0.00 60.65 60.86 1n1y s ILE 585 Cb -0.00 -3.09 -0.30 0.00 0.01 0.00 0.00 42.46 39.08 1n1y s ILE 585 CO -0.15 -0.00 0.93 0.77 0.00 0.00 0.00 174.94 176.49 1n1y h SER 586 N 8.66 0.49 -5.48 3.58 4.64 -1.16 -2.58 113.55 121.69 1n1y h SER 586 Ca -0.45 -0.92 0.27 0.00 -0.47 0.00 0.00 61.79 60.21 1n1y h SER 586 Cb 1.21 -0.16 -0.11 0.00 -0.31 0.00 0.00 62.40 63.03 1n1y h SER 586 CO 0.94 1.37 0.71 -1.38 -0.87 0.00 0.00 176.83 177.61 1n1y s HIS 587 N -2.56 -0.09 -0.07 4.77 -3.43 -1.23 -1.51 115.29 111.18 1n1y s HIS 587 Ca -0.13 -0.07 -0.06 0.00 -0.80 0.00 0.00 55.06 53.99 1n1y s HIS 587 Cb 0.01 0.57 -0.04 0.00 -1.43 0.00 0.00 32.58 31.69 1n1y s HIS 587 CO 0.83 -0.44 0.18 -0.06 -2.00 0.00 0.00 174.74 173.25 1n1y s PHE 588 N -2.70 3.59 -0.03 0.38 2.99 0.17 -2.00 117.98 120.37 1n1y s PHE 588 Ca 0.13 0.51 0.07 0.00 0.00 0.00 0.00 56.93 57.64 1n1y s PHE 588 Cb 0.02 -1.93 -0.02 0.00 0.00 0.00 0.00 43.02 41.10 1n1y s PHE 588 CO -0.02 0.70 -0.26 1.52 -0.00 0.00 0.00 175.22 177.16 1n1y s TYR 589 N -1.15 2.34 -0.19 0.36 -0.85 -0.08 -1.11 117.35 116.67 1n1y s TYR 589 Ca 0.20 -0.51 0.01 0.00 -0.52 0.00 0.00 57.07 56.25 1n1y s TYR 589 Cb -0.13 -1.52 0.04 0.00 0.38 0.00 0.00 41.96 40.74 1n1y s TYR 589 CO 0.10 -0.09 -0.12 0.42 -1.52 0.00 0.00 175.55 174.34 1n1y s ILE 590 N -0.49 1.71 0.00 -3.49 1.01 -0.66 -2.17 121.20 117.11 1n1y s ILE 590 Ca 0.06 -0.99 0.00 0.00 0.00 0.00 0.00 60.65 59.73 1n1y s ILE 590 Cb -0.11 -1.73 0.00 0.00 0.01 0.00 0.00 42.46 40.63 1n1y s ILE 590 CO 0.00 0.24 0.00 0.61 0.00 0.00 0.00 174.94 175.79 1n1y n GLY 591 N 4.67 0.50 2.20 6.18 0.00 -0.53 -0.65 105.19 117.57 1n1y n GLY 591 Ca -0.16 -0.97 -0.21 0.00 0.00 0.00 0.00 46.02 44.69 1n1y n GLY 591 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n1y n GLY 592 N 0.00 3.30 3.79 -0.02 0.00 -0.85 -3.72 105.19 107.68 1n1y n GLY 592 Ca 0.00 -1.65 -0.34 0.00 0.00 0.00 0.00 46.02 44.03 1n1y n GLY 592 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1n1y s PRO 593 N -1.88 3.37 -0.30 1.61 0.04 -1.20 -4.10 135.00 132.54 1n1y s PRO 593 Ca 0.38 1.40 -0.22 0.00 0.04 0.00 0.00 61.00 62.60 1n1y s PRO 593 Cb 0.27 -2.03 0.19 0.00 0.04 0.00 0.00 34.50 32.97 1n1y s PRO 593 CO -0.09 -0.79 1.33 -0.98 0.04 0.00 0.00 177.00 176.50 1n1y s ARG 594 N -3.62 0.10 0.00 4.56 1.04 -1.26 -5.00 118.95 114.78 1n1y s ARG 594 Ca 0.68 0.14 0.20 0.00 -1.04 0.00 0.00 55.73 55.71 1n1y s ARG 594 Cb -0.19 0.04 0.18 0.00 -2.04 0.00 0.00 34.95 32.94 1n1y s ARG 594 CO 0.30 -0.02 1.16 -1.13 -0.04 0.00 0.00 175.30 175.58 1n1y n SER 595 N 2.24 2.74 -3.64 -2.89 3.41 -1.26 -4.62 113.62 109.60 1n1y n SER 595 Ca -0.13 -1.85 -0.08 0.00 -0.26 0.00 0.00 58.87 56.54 1n1y n SER 595 Cb 0.57 -0.02 -0.02 0.00 -0.26 0.00 0.00 64.21 64.47 1n1y n SER 595 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1n1y s LYS 596 N -1.65 1.33 2.22 4.33 -2.85 -1.26 -5.15 119.74 116.71 1n1y s LYS 596 Ca 0.25 -0.64 0.00 0.00 -1.00 0.00 0.00 55.97 54.58 1n1y s LYS 596 Cb 0.17 0.52 0.00 0.00 -2.06 0.00 0.00 37.83 36.46 1n1y s LYS 596 CO 0.26 -0.60 0.00 0.41 0.10 0.00 0.00 175.35 175.52 1n1y n GLY 597 N -0.40 -0.86 3.63 0.59 0.00 -1.26 -4.90 105.19 101.98 1n1y n GLY 597 Ca -0.09 -1.30 -0.52 0.00 0.00 0.00 0.00 46.02 44.11 1n1y n GLY 597 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n1y n ALA 598 N 3.22 -0.45 -0.96 4.61 0.00 -1.26 -4.80 120.51 120.87 1n1y n ALA 598 Ca 0.00 0.48 -0.36 0.00 0.00 0.00 0.00 53.44 53.56 1n1y n ALA 598 Cb 0.00 -2.16 -0.05 0.00 0.00 0.00 0.00 19.45 17.25 1n1y n ALA 598 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1n1y n PRO 599 N 3.32 1.54 -1.91 0.00 -0.04 -1.26 -4.93 135.00 131.72 1n1y n PRO 599 Ca 0.20 -1.64 -0.41 0.00 -0.04 0.00 0.00 63.50 61.60 1n1y n PRO 599 Cb 0.20 -2.73 -0.02 0.00 -0.04 0.00 0.00 33.50 30.91 1n1y n PRO 599 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1n1y s THR 600 N 4.64 2.38 -0.44 0.52 2.01 -1.26 -4.83 115.64 118.66 1n1y s THR 600 Ca 0.50 0.33 0.04 0.00 0.31 0.00 0.00 61.69 62.87 1n1y s THR 600 Cb 0.13 -3.21 0.17 0.00 0.01 0.00 0.00 72.50 69.59 1n1y s THR 600 CO 0.08 0.06 0.34 -0.62 -0.69 0.00 0.00 174.62 173.79 1n1y s ASP 601 N 0.25 2.02 -0.50 3.53 -1.08 -1.26 -1.77 116.67 117.86 1n1y s ASP 601 Ca 0.59 -3.04 -0.28 0.00 -0.52 0.00 0.00 52.55 49.29 1n1y s ASP 601 Cb -0.44 -0.58 0.03 0.00 -1.46 0.00 0.00 42.92 40.47 1n1y s ASP 601 CO 0.49 -0.18 1.11 -0.44 0.52 0.00 0.00 175.17 176.67 1n1y s SER 602 N 0.02 6.56 -1.28 -0.34 0.01 -1.26 -4.93 113.70 112.47 1n1y s SER 602 Ca 0.30 0.30 -0.15 0.00 1.31 0.00 0.00 55.95 57.71 1n1y s SER 602 Cb -0.01 -2.53 0.11 0.00 0.21 0.00 0.00 66.02 63.80 1n1y s SER 602 CO -0.17 -1.28 1.68 0.54 0.41 0.00 0.00 173.24 174.42 1n1y n ARG 603 N 7.88 3.27 -4.24 12.44 5.12 -1.26 -4.62 116.66 135.26 1n1y n ARG 603 Ca 0.10 -3.46 -0.13 0.00 -1.93 0.00 0.00 57.85 52.43 1n1y n ARG 603 Cb 0.49 -3.26 -0.10 0.00 -1.16 0.00 0.00 32.46 28.43 1n1y n ARG 603 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1n1y s VAL 604 N 2.79 0.41 -0.05 1.55 -7.23 -1.26 -1.17 120.40 115.44 1n1y s VAL 604 Ca 0.48 -1.97 0.03 0.00 -1.81 0.00 0.00 61.98 58.70 1n1y s VAL 604 Cb 0.03 -2.31 0.01 0.00 0.56 0.00 0.00 36.38 34.67 1n1y s VAL 604 CO 0.03 -0.26 -0.13 -0.89 -0.31 0.00 0.00 175.10 173.53 1n1y s THR 605 N -3.85 1.17 -0.05 5.32 2.01 -0.83 -1.82 115.64 117.58 1n1y s THR 605 Ca 0.30 -0.54 0.02 0.00 0.31 0.00 0.00 61.69 61.79 1n1y s THR 605 Cb 0.07 -1.05 0.01 0.00 0.01 0.00 0.00 72.50 71.55 1n1y s THR 605 CO 0.07 0.36 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.56 1n1y s VAL 606 N 0.39 1.02 0.02 3.82 1.01 -0.83 -2.04 120.40 123.80 1n1y s VAL 606 Ca -0.10 -0.43 0.03 0.00 0.00 0.00 0.00 61.98 61.49 1n1y s VAL 606 Cb -0.13 -0.93 -0.01 0.00 0.00 0.00 0.00 36.38 35.30 1n1y s VAL 606 CO 0.03 0.32 -0.10 0.42 0.00 0.00 0.00 175.10 175.77 1n1y s THR 607 N 0.58 0.77 -0.60 3.92 -4.23 -0.32 -2.31 115.64 113.44 1n1y s THR 607 Ca -0.12 -0.71 -0.07 0.00 -1.18 0.00 0.00 61.69 59.62 1n1y s THR 607 Cb -0.14 -0.70 0.01 0.00 1.34 0.00 0.00 72.50 73.01 1n1y s THR 607 CO 0.03 0.00 0.65 0.59 -0.54 0.00 0.00 174.62 175.35 1n1y n ASN 608 N 2.26 -7.79 -4.68 3.99 5.03 -0.83 -1.74 115.26 111.50 1n1y n ASN 608 Ca -0.17 0.18 -0.38 0.00 0.87 0.00 0.00 54.58 55.08 1n1y n ASN 608 Cb 0.56 -5.29 -0.07 0.00 -1.02 0.00 0.00 39.78 33.96 1n1y n ASN 608 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1n1y s VAL 609 N -2.83 5.18 0.02 2.41 1.01 -0.92 -3.96 120.40 121.31 1n1y s VAL 609 Ca 0.10 0.81 0.08 0.00 0.00 0.00 0.00 61.98 62.97 1n1y s VAL 609 Cb -0.03 -3.77 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 1n1y s VAL 609 CO 0.75 0.26 -0.24 -0.69 0.00 0.00 0.00 175.10 175.18 1n1y s VAL 610 N 1.16 1.93 -0.08 2.92 1.01 -0.22 -1.98 120.40 125.14 1n1y s VAL 610 Ca 0.22 -1.18 0.01 0.00 0.00 0.00 0.00 61.98 61.02 1n1y s VAL 610 Cb -0.15 -1.63 0.02 0.00 0.00 0.00 0.00 36.38 34.62 1n1y s VAL 610 CO 0.09 0.41 -0.09 -0.22 0.00 0.00 0.00 175.10 175.29 1n1y s LEU 611 N -0.91 1.37 0.25 3.92 2.96 -1.06 -0.69 118.68 124.51 1n1y s LEU 611 Ca 0.10 -0.27 0.10 0.00 -0.22 0.00 0.00 54.13 53.84 1n1y s LEU 611 Cb -0.09 -0.77 -0.05 0.00 0.50 0.00 0.00 46.19 45.78 1n1y s LEU 611 CO 0.01 -0.05 -0.11 -0.31 -1.32 0.00 0.00 176.35 174.57 1n1y s TYR 612 N 1.18 2.51 -0.32 5.38 1.51 -0.44 -1.17 117.35 126.00 1n1y s TYR 612 Ca -0.05 -0.27 0.12 0.00 -1.01 0.00 0.00 57.07 55.86 1n1y s TYR 612 Cb -0.14 -1.14 0.74 0.00 -0.11 0.00 0.00 41.96 41.31 1n1y s TYR 612 CO -0.02 0.62 1.64 0.27 -1.11 0.00 0.00 175.55 176.95 1n1y n ASN 613 N -0.50 5.27 -3.86 2.29 0.23 -0.75 -2.42 115.26 115.53 1n1y n ASN 613 Ca -0.07 -2.86 -0.09 0.00 -0.53 0.00 0.00 54.58 51.02 1n1y n ASN 613 Cb 0.58 -0.68 -0.05 0.00 -2.08 0.00 0.00 39.78 37.55 1n1y n ASN 613 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1n1y s ARG 614 N -2.62 1.30 -0.60 -3.83 1.70 -1.26 -4.66 118.95 108.98 1n1y s ARG 614 Ca 0.50 -1.04 -0.27 0.00 -0.47 0.00 0.00 55.73 54.45 1n1y s ARG 614 Cb 0.38 0.45 0.03 0.00 -0.57 0.00 0.00 34.95 35.25 1n1y s ARG 614 CO 0.14 -0.52 1.12 0.50 -1.08 0.00 0.00 175.30 175.47 1n1y s ARG 615 N -3.93 3.40 0.39 3.89 3.00 -1.26 -3.89 118.95 120.55 1n1y s ARG 615 Ca 0.14 -0.00 -0.27 0.00 -1.00 0.00 0.00 55.73 54.59 1n1y s ARG 615 Cb 0.01 -4.06 -0.10 0.00 0.00 0.00 0.00 34.95 30.80 1n1y s ARG 615 CO -0.00 -1.69 1.44 -0.51 0.00 0.00 0.00 175.30 174.54 1n1y s LEU 616 N 4.73 4.27 0.92 -0.88 1.43 -1.26 -5.00 118.68 122.88 1n1y s LEU 616 Ca 0.37 2.96 -0.14 0.00 -1.03 0.00 0.00 54.13 56.29 1n1y s LEU 616 Cb -0.09 -3.75 0.15 0.00 0.03 0.00 0.00 46.19 42.53 1n1y s LEU 616 CO 0.22 -0.92 1.21 0.54 0.23 0.00 0.00 176.35 177.62 1n1y s ASN 617 N -0.31 3.48 0.16 2.29 2.20 -1.26 -4.88 114.94 116.62 1n1y s ASN 617 Ca 0.55 0.66 -0.16 0.00 -0.94 0.00 0.00 52.86 52.97 1n1y s ASN 617 Cb -0.45 -1.01 0.02 0.00 -2.00 0.00 0.00 41.25 37.81 1n1y s ASN 617 CO 0.60 -2.54 1.82 0.77 -2.94 0.00 0.00 177.10 174.81 1n1y h SER 618 N -1.50 0.48 0.34 3.54 4.64 -2.00 -2.45 113.55 116.61 1n1y h SER 618 Ca -0.47 -0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 60.73 1n1y h SER 618 Cb 1.30 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 1n1y h SER 618 CO 0.53 0.35 -0.46 0.77 -0.87 0.00 0.00 176.83 177.16 1n1y h SER 619 N 0.56 0.15 -0.04 4.97 4.64 -2.00 -2.48 113.55 119.36 1n1y h SER 619 Ca 0.15 -0.07 -0.07 0.00 -0.47 0.00 0.00 61.79 61.34 1n1y h SER 619 Cb -0.06 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 1n1y h SER 619 CO -0.03 0.59 -0.16 -0.33 -0.87 0.00 0.00 176.83 176.02 1n1y h GLU 620 N 0.12 0.38 -0.17 4.77 5.08 -1.85 -1.38 114.58 121.52 1n1y h GLU 620 Ca 0.01 -0.11 -0.17 0.00 -1.00 0.00 0.00 59.36 58.09 1n1y h GLU 620 Cb 0.85 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.06 1n1y h GLU 620 CO 0.07 0.54 -0.61 0.82 -1.00 0.00 0.00 179.01 178.83 1n1y h ILE 621 N 0.35 1.33 -0.11 3.13 2.04 -1.15 -2.86 117.51 120.24 1n1y h ILE 621 Ca 0.06 -1.88 0.01 0.00 1.00 0.00 0.00 64.86 64.06 1n1y h ILE 621 Cb 0.49 1.85 -0.01 0.00 -0.74 0.00 0.00 36.82 38.41 1n1y h ILE 621 CO 0.03 0.58 0.03 -0.09 0.00 0.00 0.00 178.15 178.71 1n1y h ARG 622 N 0.43 0.08 -0.71 2.37 2.43 -0.97 -1.35 114.38 116.65 1n1y h ARG 622 Ca -0.00 -0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.26 1n1y h ARG 622 Cb 1.17 -0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 30.62 1n1y h ARG 622 CO 0.11 0.05 0.34 1.15 -1.51 0.00 0.00 179.97 180.11 1n1y h THR 623 N 0.08 0.80 -0.33 0.20 2.02 -1.22 -1.83 112.91 112.63 1n1y h THR 623 Ca 0.05 -0.19 -0.07 0.00 0.77 0.00 0.00 66.41 66.97 1n1y h THR 623 Cb 0.03 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 66.63 1n1y h THR 623 CO -0.06 0.10 -0.07 -0.07 0.37 0.00 0.00 175.52 175.79 1n1y h LEU 624 N 0.55 0.64 -1.28 2.58 3.38 -1.25 -2.82 115.31 117.12 1n1y h LEU 624 Ca 0.36 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1n1y h LEU 624 Cb 0.43 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 1n1y h LEU 624 CO -0.30 0.85 0.39 0.15 0.09 0.00 0.00 178.44 179.62 1n1y h PHE 625 N 0.42 0.85 -0.02 1.13 3.57 -0.77 -1.64 116.94 120.48 1n1y h PHE 625 Ca 0.09 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.59 1n1y h PHE 625 Cb 0.56 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.02 1n1y h PHE 625 CO 0.05 0.57 0.00 1.28 -2.23 0.00 0.00 178.31 177.98 1n1y n LEU 626 N -4.40 1.19 0.00 0.59 4.77 -0.73 -4.12 117.00 114.29 1n1y n LEU 626 Ca 0.06 -0.40 0.00 0.00 -0.03 0.00 0.00 56.01 55.64 1n1y n LEU 626 Cb 0.07 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1n1y n LEU 626 CO 0.37 0.20 0.30 -1.54 -1.33 0.00 0.00 177.39 175.39 1n1y n SER 627 N -0.07 0.52 0.16 -1.43 3.41 -0.95 -4.67 113.62 110.59 1n1y n SER 627 Ca 0.20 -1.25 0.08 0.00 -0.26 0.00 0.00 58.87 57.64 1n1y n SER 627 Cb 0.30 0.00 0.45 0.00 -0.26 0.00 0.00 64.21 64.70 1n1y n SER 627 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n1y n GLN 628 N -0.12 0.11 -0.15 4.33 10.64 -0.66 -0.61 117.38 130.91 1n1y n GLN 628 Ca 0.00 0.60 0.09 0.00 -1.83 0.00 0.00 57.00 55.85 1n1y n GLN 628 Cb 0.42 -2.03 0.27 0.00 -0.86 0.00 0.00 30.24 28.03 1n1y n GLN 628 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1n1y n ASP 629 N -2.13 2.10 0.00 2.61 8.00 -1.26 -4.15 116.55 121.72 1n1y n ASP 629 Ca -0.01 -1.87 0.00 0.00 0.71 0.00 0.00 54.79 53.62 1n1y n ASP 629 Cb 0.20 -0.20 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1n1y n ASP 629 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1n1y n MET 630 N 0.62 3.18 0.06 -1.24 2.81 0.21 -4.80 117.12 117.97 1n1y n MET 630 Ca 0.15 -0.15 0.11 0.00 -1.81 0.00 0.00 57.70 56.01 1n1y n MET 630 Cb 0.37 -0.58 -0.06 0.00 -0.71 0.00 0.00 33.22 32.24 1n1y n MET 630 CO 0.00 0.00 0.00 0.44 1.51 0.00 0.00 175.97 177.92 1n1y n ILE 631 N -0.50 0.39 -1.22 2.02 -5.35 -1.24 -4.99 119.36 108.47 1n1y n ILE 631 Ca 0.00 -0.52 -0.35 0.00 -0.27 0.00 0.00 62.75 61.61 1n1y n ILE 631 Cb 0.02 -0.20 0.10 0.00 -1.74 0.00 0.00 39.64 37.82 1n1y n ILE 631 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1n1y n GLY 632 N 1.22 -0.66 1.72 3.28 0.00 -1.26 -4.88 105.19 104.60 1n1y n GLY 632 Ca -0.01 -0.42 -0.14 0.00 0.00 0.00 0.00 46.02 45.44 1n1y n GLY 632 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1n1y n THR 633 N -2.79 2.36 -0.70 2.61 -2.24 -1.26 -5.07 114.28 107.19 1n1y n THR 633 Ca 0.12 -1.23 0.00 0.00 -2.27 0.00 0.00 64.05 60.67 1n1y n THR 633 Cb 0.50 -0.93 0.00 0.00 -2.10 0.00 0.00 70.33 67.80 1n1y n THR 633 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60