#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s0j s ALA 2 N 0.00 1.83 0.24 1.96 0.00 -1.26 -4.90 121.76 119.63 1s0j s ALA 2 Ca 0.00 0.40 -0.30 0.00 0.00 0.00 0.00 51.96 52.05 1s0j s ALA 2 Cb 0.00 -3.35 -0.10 0.00 0.00 0.00 0.00 23.12 19.67 1s0j s ALA 2 CO 0.00 -2.28 1.50 -2.14 0.00 0.00 0.00 175.76 172.85 1s0j s PRO 3 N -4.78 4.22 0.00 0.00 0.02 -1.26 -1.73 135.00 131.47 1s0j s PRO 3 Ca 0.64 2.38 0.00 0.00 0.02 0.00 0.00 61.00 64.04 1s0j s PRO 3 Cb -0.20 -3.10 0.00 0.00 0.02 0.00 0.00 34.50 31.22 1s0j s PRO 3 CO 0.57 -0.51 0.00 0.41 -0.33 0.00 0.00 177.00 177.14 1s0j n GLY 4 N 2.49 3.43 3.89 0.52 0.00 -1.26 -3.69 105.19 110.57 1s0j n GLY 4 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 1s0j n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1s0j s SER 5 N -0.91 6.38 0.24 1.61 0.01 -0.71 -4.51 113.70 115.81 1s0j s SER 5 Ca 0.00 1.06 -0.15 0.00 1.31 0.00 0.00 55.95 58.17 1s0j s SER 5 Cb 0.00 -2.30 0.01 0.00 0.21 0.00 0.00 66.02 63.94 1s0j s SER 5 CO 0.00 -0.51 0.52 -0.94 0.41 0.00 0.00 173.24 172.72 1s0j s SER 6 N -3.66 -0.15 0.20 2.44 1.04 -1.04 -4.89 113.70 107.65 1s0j s SER 6 Ca 0.50 -0.78 -0.14 0.00 0.48 0.00 0.00 55.95 56.00 1s0j s SER 6 Cb -0.10 0.60 0.01 0.00 0.10 0.00 0.00 66.02 66.63 1s0j s SER 6 CO 0.39 -1.15 0.46 0.00 0.98 0.00 0.00 173.24 173.92 1s0j s ARG 7 N -3.97 1.37 0.14 4.02 1.70 -1.26 -0.39 118.95 120.56 1s0j s ARG 7 Ca 0.17 -1.03 0.05 0.00 -0.47 0.00 0.00 55.73 54.45 1s0j s ARG 7 Cb -0.02 0.47 -0.04 0.00 -0.57 0.00 0.00 34.95 34.80 1s0j s ARG 7 CO 0.06 -0.56 -0.10 0.14 -1.08 0.00 0.00 175.30 173.75 1s0j s VAL 8 N -3.93 1.17 -0.52 4.99 -7.23 -0.67 -4.98 120.40 109.24 1s0j s VAL 8 Ca 0.14 -2.03 -0.28 0.00 -1.81 0.00 0.00 61.98 58.01 1s0j s VAL 8 Cb 0.00 -1.81 0.03 0.00 0.56 0.00 0.00 36.38 35.16 1s0j s VAL 8 CO 0.01 -0.72 1.10 -0.70 -0.31 0.00 0.00 175.10 174.47 1s0j s GLU 9 N -3.65 3.58 -0.19 4.82 2.12 -1.26 -0.77 118.70 123.35 1s0j s GLU 9 Ca 0.16 0.30 -0.19 0.00 0.36 0.00 0.00 54.97 55.60 1s0j s GLU 9 Cb 0.02 -3.96 -0.16 0.00 0.26 0.00 0.00 34.13 30.29 1s0j s GLU 9 CO 0.01 -1.47 0.18 1.25 -0.54 0.00 0.00 175.26 174.69 1s0j h LEU 10 N 11.32 0.00 -8.13 2.70 5.85 -1.44 -3.42 115.31 122.19 1s0j h LEU 10 Ca -0.24 -0.44 -0.75 0.00 0.84 0.00 0.00 57.88 57.29 1s0j h LEU 10 Cb 1.06 0.00 -0.24 0.00 0.37 0.00 0.00 40.66 41.85 1s0j h LEU 10 CO 1.13 1.29 -0.26 -0.36 -0.34 0.00 0.00 178.44 179.90 1s0j s PHE 11 N -2.31 3.26 -0.33 1.25 0.08 -0.72 -4.99 117.98 114.21 1s0j s PHE 11 Ca -0.25 -1.25 -0.17 0.00 0.12 0.00 0.00 56.93 55.38 1s0j s PHE 11 Cb 0.04 -3.64 -0.01 0.00 -0.57 0.00 0.00 43.02 38.84 1s0j s PHE 11 CO 0.51 -0.97 0.49 0.15 -0.10 0.00 0.00 175.22 175.30 1s0j s LYS 12 N 1.59 3.70 0.43 0.44 1.02 -1.26 -1.31 119.74 124.36 1s0j s LYS 12 Ca 0.03 -0.11 -0.25 0.00 0.02 0.00 0.00 55.97 55.66 1s0j s LYS 12 Cb -0.29 -3.78 -0.09 0.00 -0.52 0.00 0.00 37.83 33.16 1s0j s LYS 12 CO 0.04 -0.57 1.28 2.89 -0.92 0.00 0.00 175.35 178.07 1s0j n ARG 13 N 5.65 1.92 -2.11 1.68 1.85 -1.26 -0.91 116.66 123.49 1s0j n ARG 13 Ca -0.05 0.69 -0.12 0.00 -1.00 0.00 0.00 57.85 57.36 1s0j n ARG 13 Cb 0.49 -2.41 -0.02 0.00 -1.05 0.00 0.00 32.46 29.47 1s0j n ARG 13 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 1s0j n GLN 14 N -0.06 -1.94 0.11 2.89 6.02 0.33 -4.62 117.38 120.11 1s0j n GLN 14 Ca 0.07 0.63 0.00 0.00 -0.01 0.00 0.00 57.00 57.69 1s0j n GLN 14 Cb 0.40 -5.11 0.00 0.00 1.02 0.00 0.00 30.24 26.55 1s0j n GLN 14 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1s0j n SER 15 N -1.36 -0.77 -4.77 1.08 2.88 -0.87 -4.92 113.62 104.88 1s0j n SER 15 Ca -0.14 0.38 -0.40 0.00 -1.33 0.00 0.00 58.87 57.38 1s0j n SER 15 Cb 0.54 0.88 0.01 0.00 -0.75 0.00 0.00 64.21 64.89 1s0j n SER 15 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1s0j s SER 16 N -4.26 6.09 0.14 -3.46 0.01 -0.08 -4.79 113.70 107.34 1s0j s SER 16 Ca 0.00 2.95 0.07 0.00 1.31 0.00 0.00 55.95 60.28 1s0j s SER 16 Cb 0.00 -2.66 -0.04 0.00 0.21 0.00 0.00 66.02 63.53 1s0j s SER 16 CO 0.00 -1.04 -0.02 -0.54 0.41 0.00 0.00 173.24 172.05 1s0j s LYS 17 N -2.29 2.37 0.10 12.44 1.02 -1.26 -2.09 119.74 130.03 1s0j s LYS 17 Ca 0.57 -1.03 0.04 0.00 0.02 0.00 0.00 55.97 55.58 1s0j s LYS 17 Cb -0.44 -2.39 -0.04 0.00 -0.52 0.00 0.00 37.83 34.44 1s0j s LYS 17 CO 0.58 0.49 -0.11 0.14 -0.92 0.00 0.00 175.35 175.53 1s0j s VAL 18 N -1.52 1.01 -0.85 3.17 -7.23 -0.48 -4.86 120.40 109.64 1s0j s VAL 18 Ca 0.26 -1.62 -0.25 0.00 -1.81 0.00 0.00 61.98 58.56 1s0j s VAL 18 Cb -0.10 -1.35 0.01 0.00 0.56 0.00 0.00 36.38 35.50 1s0j s VAL 18 CO 0.17 -0.51 1.57 -2.16 -0.31 0.00 0.00 175.10 173.87 1s0j s PRO 19 N -2.67 3.11 -0.27 4.82 0.04 -1.26 -0.94 135.00 137.83 1s0j s PRO 19 Ca 0.05 -0.43 -0.28 0.00 0.04 0.00 0.00 61.00 60.38 1s0j s PRO 19 Cb -0.04 -4.82 0.01 0.00 0.04 0.00 0.00 34.50 29.69 1s0j s PRO 19 CO 0.01 -2.52 0.99 0.12 0.04 0.00 0.00 177.00 175.63 1s0j s PHE 20 N 6.91 3.25 -0.20 0.56 5.36 0.87 -4.67 117.98 130.07 1s0j s PHE 20 Ca 0.51 1.24 -0.08 0.00 -0.96 0.00 0.00 56.93 57.65 1s0j s PHE 20 Cb -0.06 -3.37 -0.04 0.00 -0.34 0.00 0.00 43.02 39.21 1s0j s PHE 20 CO 0.04 -0.57 0.08 -2.00 -1.46 0.00 0.00 175.22 171.31 1s0j s GLU 21 N 3.26 3.96 -0.18 10.12 2.12 -1.26 -0.85 118.70 135.87 1s0j s GLU 21 Ca 0.42 -0.34 -0.10 0.00 0.36 0.00 0.00 54.97 55.31 1s0j s GLU 21 Cb -0.14 -3.30 0.06 0.00 0.26 0.00 0.00 34.13 31.02 1s0j s GLU 21 CO 0.10 0.18 0.44 0.21 -0.54 0.00 0.00 175.26 175.65 1s0j s LYS 22 N 0.65 0.41 -1.51 4.30 2.20 0.01 -4.94 119.74 120.87 1s0j s LYS 22 Ca 0.04 0.86 -0.12 0.00 -0.36 0.00 0.00 55.97 56.39 1s0j s LYS 22 Cb -0.13 0.03 0.08 0.00 -1.51 0.00 0.00 37.83 36.30 1s0j s LYS 22 CO 0.01 -0.17 0.96 -0.25 -0.36 0.00 0.00 175.35 175.55 1s0j n ASP 23 N 4.40 -4.51 0.00 1.43 10.43 -1.26 -1.74 116.55 125.31 1s0j n ASP 23 Ca -0.21 -0.78 0.00 0.00 2.57 0.00 0.00 54.79 56.37 1s0j n ASP 23 Cb 0.55 -3.93 0.00 0.00 1.84 0.00 0.00 41.12 39.58 1s0j n ASP 23 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1s0j n GLY 24 N -1.70 0.98 3.46 0.44 0.00 -1.26 -5.02 105.19 102.09 1s0j n GLY 24 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 1s0j n GLY 24 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1s0j s LYS 25 N -0.01 2.25 -0.08 1.61 2.20 -0.71 -5.12 119.74 119.89 1s0j s LYS 25 Ca 0.00 -0.86 0.05 0.00 -0.36 0.00 0.00 55.97 54.80 1s0j s LYS 25 Cb 0.00 -2.26 -0.01 0.00 -1.51 0.00 0.00 37.83 34.06 1s0j s LYS 25 CO 0.00 0.58 -0.23 0.08 -0.36 0.00 0.00 175.35 175.41 1s0j s VAL 26 N -0.83 2.19 0.02 4.02 1.01 -1.26 -0.81 120.40 124.74 1s0j s VAL 26 Ca 0.13 -1.00 0.03 0.00 0.00 0.00 0.00 61.98 61.14 1s0j s VAL 26 Cb -0.11 -1.82 -0.01 0.00 0.00 0.00 0.00 36.38 34.44 1s0j s VAL 26 CO 0.03 0.56 -0.09 0.42 0.00 0.00 0.00 175.10 176.03 1s0j s THR 27 N 0.03 0.66 -0.19 3.92 -4.23 -0.03 -4.93 115.64 110.87 1s0j s THR 27 Ca -0.09 -0.68 -0.29 0.00 -1.18 0.00 0.00 61.69 59.45 1s0j s THR 27 Cb -0.15 -0.62 -0.02 0.00 1.34 0.00 0.00 72.50 73.05 1s0j s THR 27 CO 0.06 -0.04 1.38 -1.61 -0.54 0.00 0.00 174.62 173.86 1s0j s GLU 28 N -0.81 4.09 -0.08 3.99 0.41 -1.26 -0.09 118.70 124.95 1s0j s GLU 28 Ca -0.01 1.64 0.03 0.00 -0.41 0.00 0.00 54.97 56.22 1s0j s GLU 28 Cb -0.06 -3.86 0.01 0.00 -1.78 0.00 0.00 34.13 28.43 1s0j s GLU 28 CO 0.00 -0.91 -0.18 0.50 -0.49 0.00 0.00 175.26 174.18 1s0j s ARG 29 N 3.91 2.25 0.36 1.61 3.52 -0.11 -4.88 118.95 125.60 1s0j s ARG 29 Ca 0.60 -0.63 -0.27 0.00 -0.13 0.00 0.00 55.73 55.30 1s0j s ARG 29 Cb -0.23 -1.79 -0.09 0.00 -1.56 0.00 0.00 34.95 31.28 1s0j s ARG 29 CO 0.21 0.13 1.24 0.08 -0.81 0.00 0.00 175.30 176.14 1s0j s VAL 30 N 0.43 2.91 -0.11 7.11 1.01 -1.26 -1.38 120.40 129.12 1s0j s VAL 30 Ca -0.14 0.85 -0.01 0.00 0.00 0.00 0.00 61.98 62.67 1s0j s VAL 30 Cb -0.16 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 1s0j s VAL 30 CO 0.06 0.15 -0.07 -0.69 0.00 0.00 0.00 175.10 174.55 1s0j s VAL 31 N -1.25 3.66 0.03 2.92 1.01 -0.89 -4.91 120.40 120.96 1s0j s VAL 31 Ca 0.53 -0.47 -0.27 0.00 0.00 0.00 0.00 61.98 61.77 1s0j s VAL 31 Cb -0.36 -2.54 -0.17 0.00 0.00 0.00 0.00 36.38 33.32 1s0j s VAL 31 CO 0.46 0.55 1.32 -0.74 0.00 0.00 0.00 175.10 176.69 1s0j h HIS 32 N 6.01 -0.52 -3.77 5.22 6.17 -1.01 0.96 115.15 128.21 1s0j h HIS 32 Ca -0.38 -0.01 -0.16 0.00 0.71 0.00 0.00 60.37 60.52 1s0j h HIS 32 Cb 1.19 0.17 -0.21 0.00 2.52 0.00 0.00 27.41 31.08 1s0j h HIS 32 CO 0.54 -0.21 -0.61 -1.12 0.71 0.00 0.00 177.93 177.24 1s0j s SER 33 N -4.86 0.15 -0.11 3.26 0.01 -0.68 -2.52 113.70 108.93 1s0j s SER 33 Ca -0.15 -0.37 0.03 0.00 1.31 0.00 0.00 55.95 56.77 1s0j s SER 33 Cb 0.03 0.14 -0.00 0.00 0.21 0.00 0.00 66.02 66.40 1s0j s SER 33 CO 0.55 -0.33 -0.22 -0.36 0.41 0.00 0.00 173.24 173.29 1s0j s PHE 34 N -1.41 2.63 0.32 2.43 0.40 -0.27 -0.41 117.98 121.66 1s0j s PHE 34 Ca -0.15 -1.04 0.05 0.00 -0.60 0.00 0.00 56.93 55.18 1s0j s PHE 34 Cb -0.09 -1.76 -0.03 0.00 0.51 0.00 0.00 43.02 41.65 1s0j s PHE 34 CO 0.00 -0.43 0.20 1.03 0.70 0.00 0.00 175.22 176.73 1s0j s ARG 35 N 0.45 1.69 -0.85 0.44 0.52 -0.86 -4.20 118.95 116.14 1s0j s ARG 35 Ca -0.15 -1.98 -0.03 0.00 -0.52 0.00 0.00 55.73 53.05 1s0j s ARG 35 Cb -0.17 0.03 -0.03 0.00 0.52 0.00 0.00 34.95 35.30 1s0j s ARG 35 CO 0.06 -0.54 0.73 1.28 0.02 0.00 0.00 175.30 176.85 1s0j n LEU 36 N -0.63 -4.24 -4.77 2.53 7.99 -1.26 -0.34 117.00 116.29 1s0j n LEU 36 Ca 0.03 -0.51 -0.40 0.00 -0.01 0.00 0.00 56.01 55.11 1s0j n LEU 36 Cb 0.64 -2.54 -0.02 0.00 -0.11 0.00 0.00 43.42 41.39 1s0j n LEU 36 CO 0.34 0.17 0.96 -2.16 -1.51 0.00 0.00 177.39 175.18 1s0j s PRO 37 N -4.49 4.32 -0.04 3.23 0.04 -1.26 -4.22 135.00 132.59 1s0j s PRO 37 Ca 0.19 2.16 -0.01 0.00 0.04 0.00 0.00 61.00 63.38 1s0j s PRO 37 Cb -0.03 -3.03 0.03 0.00 0.04 0.00 0.00 34.50 31.52 1s0j s PRO 37 CO 0.56 -0.19 0.06 0.00 0.04 0.00 0.00 177.00 177.46 1s0j s ALA 38 N -1.17 0.16 -0.15 8.56 0.00 -0.18 -4.46 121.76 124.52 1s0j s ALA 38 Ca 0.50 0.25 0.01 0.00 0.00 0.00 0.00 51.96 52.72 1s0j s ALA 38 Cb -0.39 -0.52 0.02 0.00 0.00 0.00 0.00 23.12 22.24 1s0j s ALA 38 CO 0.51 -0.37 -0.16 -1.17 0.00 0.00 0.00 175.76 174.57 1s0j s LEU 39 N 1.83 1.81 0.23 0.00 2.96 -1.26 -0.56 118.68 123.70 1s0j s LEU 39 Ca 0.00 -0.53 0.00 0.00 -0.22 0.00 0.00 54.13 53.39 1s0j s LEU 39 Cb -0.12 -1.26 -0.05 0.00 0.50 0.00 0.00 46.19 45.26 1s0j s LEU 39 CO -0.03 -0.03 0.12 0.68 -1.32 0.00 0.00 176.35 175.76 1s0j s VAL 40 N 1.39 0.28 -0.21 1.68 -7.23 -0.06 -4.63 120.40 111.63 1s0j s VAL 40 Ca 0.04 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.21 1s0j s VAL 40 Cb -0.13 -2.57 0.02 0.00 0.56 0.00 0.00 36.38 34.26 1s0j s VAL 40 CO -0.11 0.00 -0.14 0.21 -0.31 0.00 0.00 175.10 174.75 1s0j s ASN 41 N -3.24 3.64 -0.62 4.85 2.47 -1.26 -0.97 114.94 119.80 1s0j s ASN 41 Ca 0.38 -0.73 -0.08 0.00 0.42 0.00 0.00 52.86 52.86 1s0j s ASN 41 Cb 0.07 -1.56 0.16 0.00 -1.45 0.00 0.00 41.25 38.48 1s0j s ASN 41 CO 0.13 -0.04 0.49 -0.69 -3.72 0.00 0.00 177.10 173.27 1s0j s VAL 42 N 1.30 4.37 -1.05 -5.21 1.01 0.45 -4.76 120.40 116.51 1s0j s VAL 42 Ca 0.03 -2.42 -0.16 0.00 0.00 0.00 0.00 61.98 59.43 1s0j s VAL 42 Cb -0.15 -3.81 0.02 0.00 0.00 0.00 0.00 36.38 32.44 1s0j s VAL 42 CO -0.09 -0.88 0.30 -0.67 0.00 0.00 0.00 175.10 173.76 1s0j n ASP 43 N 4.11 -1.48 0.00 3.32 2.03 -1.26 -1.30 116.55 121.97 1s0j n ASP 43 Ca 0.04 -1.01 0.00 0.00 0.52 0.00 0.00 54.79 54.34 1s0j n ASP 43 Cb 0.41 -1.23 0.00 0.00 -0.72 0.00 0.00 41.12 39.59 1s0j n ASP 43 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1s0j n GLY 44 N -2.01 2.70 3.53 0.27 0.00 -1.26 -5.05 105.19 103.37 1s0j n GLY 44 Ca -0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 1s0j n GLY 44 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s0j s VAL 45 N -2.62 4.84 0.08 1.61 1.01 -0.42 -4.78 120.40 120.12 1s0j s VAL 45 Ca 0.00 0.01 -0.30 0.00 0.00 0.00 0.00 61.98 61.69 1s0j s VAL 45 Cb 0.00 -3.28 -0.05 0.00 0.00 0.00 0.00 36.38 33.05 1s0j s VAL 45 CO 0.00 0.30 1.01 -0.04 0.00 0.00 0.00 175.10 176.38 1s0j s MET 46 N 1.60 4.61 -0.06 2.72 -1.94 -0.42 -0.41 119.30 125.41 1s0j s MET 46 Ca 0.07 1.52 0.02 0.00 -1.71 0.00 0.00 55.69 55.58 1s0j s MET 46 Cb -0.15 -3.38 0.02 0.00 2.01 0.00 0.00 34.83 33.32 1s0j s MET 46 CO 0.07 0.06 -0.09 0.08 -0.01 0.00 0.00 175.02 175.13 1s0j s VAL 47 N 0.38 0.92 -0.22 -6.03 1.01 -0.14 -1.11 120.40 115.21 1s0j s VAL 47 Ca 0.50 -0.35 -0.00 0.00 0.00 0.00 0.00 61.98 62.13 1s0j s VAL 47 Cb -0.24 -0.87 0.02 0.00 0.00 0.00 0.00 36.38 35.29 1s0j s VAL 47 CO 0.30 0.31 -0.12 0.00 0.00 0.00 0.00 175.10 175.59 1s0j s ALA 48 N 0.78 2.55 -0.02 5.51 0.00 0.47 -0.88 121.76 130.17 1s0j s ALA 48 Ca -0.13 -1.34 0.02 0.00 0.00 0.00 0.00 51.96 50.51 1s0j s ALA 48 Cb -0.15 -1.47 -0.03 0.00 0.00 0.00 0.00 23.12 21.46 1s0j s ALA 48 CO 0.02 -0.59 -0.04 0.42 0.00 0.00 0.00 175.76 175.57 1s0j s ILE 49 N 1.32 3.85 0.29 0.00 1.01 0.28 -0.17 121.20 127.78 1s0j s ILE 49 Ca 0.02 -0.62 -0.20 0.00 0.00 0.00 0.00 60.65 59.85 1s0j s ILE 49 Cb -0.15 -2.66 0.02 0.00 0.01 0.00 0.00 42.46 39.68 1s0j s ILE 49 CO -0.08 0.45 0.72 0.00 0.00 0.00 0.00 174.94 176.03 1s0j s ALA 50 N -0.97 -1.13 0.13 9.38 0.00 -0.51 -1.01 121.76 127.66 1s0j s ALA 50 Ca 0.16 -0.38 -0.28 0.00 0.00 0.00 0.00 51.96 51.46 1s0j s ALA 50 Cb -0.11 0.84 -0.07 0.00 0.00 0.00 0.00 23.12 23.78 1s0j s ALA 50 CO 0.07 -1.03 0.90 -0.51 0.00 0.00 0.00 175.76 175.19 1s0j s ASP 51 N -2.94 7.46 -0.43 0.00 1.11 0.54 -0.78 116.67 121.64 1s0j s ASP 51 Ca 0.12 1.74 -0.09 0.00 0.18 0.00 0.00 52.55 54.50 1s0j s ASP 51 Cb -0.06 -2.56 0.08 0.00 1.07 0.00 0.00 42.92 41.46 1s0j s ASP 51 CO 0.08 0.03 0.27 0.00 1.18 0.00 0.00 175.17 176.73 1s0j s ALA 52 N -0.41 3.31 -0.57 5.23 0.00 0.37 -2.03 121.76 127.66 1s0j s ALA 52 Ca 0.43 -2.19 -0.18 0.00 0.00 0.00 0.00 51.96 50.01 1s0j s ALA 52 Cb -0.23 -2.68 0.11 0.00 0.00 0.00 0.00 23.12 20.31 1s0j s ALA 52 CO 0.29 -1.68 0.63 1.03 0.00 0.00 0.00 175.76 176.03 1s0j s ARG 53 N 1.42 3.03 0.20 0.00 0.52 0.45 -2.22 118.95 122.35 1s0j s ARG 53 Ca 0.03 -1.40 -0.10 0.00 -0.52 0.00 0.00 55.73 53.74 1s0j s ARG 53 Cb -0.23 -4.26 0.15 0.00 0.52 0.00 0.00 34.95 31.12 1s0j s ARG 53 CO 0.02 -1.44 1.84 1.88 0.02 0.00 0.00 175.30 177.62 1s0j h TYR 54 N 9.08 0.99 0.00 -0.53 -1.99 -1.66 -1.73 116.97 121.13 1s0j h TYR 54 Ca -0.29 -0.01 -0.07 0.00 2.00 0.00 0.00 58.73 60.36 1s0j h TYR 54 Cb 1.09 -0.32 -0.01 0.00 2.00 0.00 0.00 36.73 39.49 1s0j h TYR 54 CO 0.79 0.68 -1.48 0.39 -0.00 0.00 0.00 178.16 178.54 1s0j n GLU 55 N -4.50 1.29 -3.51 4.88 -0.58 -1.26 -1.79 120.64 115.18 1s0j n GLU 55 Ca 0.07 -0.05 -0.10 0.00 -0.42 0.00 0.00 57.16 56.66 1s0j n GLU 55 Cb 0.07 -1.21 -0.02 0.00 -0.57 0.00 0.00 31.44 29.70 1s0j n GLU 55 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 1s0j s THR 56 N -2.44 0.00 -1.45 2.62 -1.32 -1.26 -4.89 115.64 106.90 1s0j s THR 56 Ca -0.04 -0.15 0.29 0.00 -1.21 0.00 0.00 61.69 60.58 1s0j s THR 56 Cb 0.04 -1.17 0.44 0.00 -1.51 0.00 0.00 72.50 70.30 1s0j s THR 56 CO 0.36 0.00 1.93 -1.54 -2.21 0.00 0.00 174.62 173.16 1s0j n SER 57 N -0.36 0.22 -4.70 8.08 3.41 -1.26 -4.67 113.62 114.34 1s0j n SER 57 Ca -0.13 -0.26 -0.43 0.00 -0.26 0.00 0.00 58.87 57.79 1s0j n SER 57 Cb 0.63 -0.19 -0.02 0.00 -0.26 0.00 0.00 64.21 64.38 1s0j n SER 57 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1s0j n PHE 58 N -1.18 2.39 -0.08 7.33 7.35 -1.26 -4.88 117.46 127.13 1s0j n PHE 58 Ca 0.13 0.44 0.03 0.00 -0.76 0.00 0.00 57.45 57.29 1s0j n PHE 58 Cb 0.27 -2.47 0.36 0.00 0.35 0.00 0.00 39.48 37.99 1s0j n PHE 58 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1s0j h ALA 59 N 3.64 1.63 -2.02 3.13 0.00 -1.98 -3.29 119.26 120.37 1s0j h ALA 59 Ca -0.46 -0.04 -0.78 0.00 0.00 0.00 0.00 54.91 53.64 1s0j h ALA 59 Cb 1.27 -0.21 -0.30 0.00 0.00 0.00 0.00 17.79 18.54 1s0j h ALA 59 CO 0.71 0.34 0.54 0.09 0.00 0.00 0.00 179.25 180.94 1s0j n ASN 60 N -4.46 5.94 -2.58 0.00 3.02 -1.26 -4.93 115.26 110.99 1s0j n ASN 60 Ca 0.05 -3.39 -0.11 0.00 -0.03 0.00 0.00 54.58 51.09 1s0j n ASN 60 Cb 0.05 -1.18 -0.02 0.00 -0.61 0.00 0.00 39.78 38.02 1s0j n ASN 60 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1s0j n SER 61 N 1.34 -1.12 -4.64 6.41 3.41 -1.24 -4.77 113.62 113.00 1s0j n SER 61 Ca 0.26 -2.49 -0.43 0.00 -0.26 0.00 0.00 58.87 55.95 1s0j n SER 61 Cb 0.35 2.08 -0.03 0.00 -0.26 0.00 0.00 64.21 66.35 1s0j n SER 61 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1s0j s LEU 62 N 0.00 4.07 -0.05 1.04 2.96 -1.24 -4.41 118.68 121.05 1s0j s LEU 62 Ca 0.23 1.84 -0.02 0.00 -0.22 0.00 0.00 54.13 55.95 1s0j s LEU 62 Cb -0.01 -3.53 0.03 0.00 0.50 0.00 0.00 46.19 43.18 1s0j s LEU 62 CO 0.16 -1.08 0.10 -0.63 -1.32 0.00 0.00 176.35 173.58 1s0j s ILE 63 N 4.60 -0.05 0.30 6.68 1.01 -1.06 -2.00 121.20 130.68 1s0j s ILE 63 Ca 0.70 0.19 0.09 0.00 0.00 0.00 0.00 60.65 61.63 1s0j s ILE 63 Cb -0.27 -0.18 -0.05 0.00 0.01 0.00 0.00 42.46 41.97 1s0j s ILE 63 CO 0.27 0.08 0.01 -1.81 0.00 0.00 0.00 174.94 173.49 1s0j s ASP 64 N 1.11 4.40 -0.23 3.58 1.01 -0.94 -2.14 116.67 123.45 1s0j s ASP 64 Ca -0.09 -0.79 -0.18 0.00 0.71 0.00 0.00 52.55 52.21 1s0j s ASP 64 Cb -0.12 -0.70 -0.03 0.00 1.01 0.00 0.00 42.92 43.08 1s0j s ASP 64 CO -0.05 -0.11 0.49 -0.89 0.21 0.00 0.00 175.17 174.82 1s0j s THR 65 N -2.41 5.11 0.16 -1.27 2.01 0.16 -0.48 115.64 118.93 1s0j s THR 65 Ca 0.33 0.86 0.04 0.00 0.31 0.00 0.00 61.69 63.23 1s0j s THR 65 Cb -0.04 -3.81 -0.04 0.00 0.01 0.00 0.00 72.50 68.62 1s0j s THR 65 CO 0.20 0.15 0.23 0.54 -0.69 0.00 0.00 174.62 175.04 1s0j s VAL 66 N 1.91 4.97 -0.01 3.82 0.11 0.04 -0.15 120.40 131.08 1s0j s VAL 66 Ca 0.21 -0.87 0.02 0.00 -2.93 0.00 0.00 61.98 58.41 1s0j s VAL 66 Cb -0.15 -3.56 -0.00 0.00 -1.53 0.00 0.00 36.38 31.13 1s0j s VAL 66 CO 0.09 -0.12 -0.08 0.00 -3.33 0.00 0.00 175.10 171.67 1s0j s ALA 67 N -1.77 0.70 0.03 1.54 0.00 -0.44 -1.42 121.76 120.40 1s0j s ALA 67 Ca 0.33 -0.32 0.08 0.00 0.00 0.00 0.00 51.96 52.05 1s0j s ALA 67 Cb -0.10 -0.21 -0.03 0.00 0.00 0.00 0.00 23.12 22.78 1s0j s ALA 67 CO 0.26 0.15 -0.24 0.15 0.00 0.00 0.00 175.76 176.08 1s0j s LYS 68 N -0.05 1.95 0.06 0.00 1.02 0.76 -1.45 119.74 122.02 1s0j s LYS 68 Ca 0.01 -1.03 0.01 0.00 0.02 0.00 0.00 55.97 54.98 1s0j s LYS 68 Cb -0.05 -2.06 -0.03 0.00 -0.52 0.00 0.00 37.83 35.17 1s0j s LYS 68 CO -0.00 0.53 -0.05 1.52 -0.92 0.00 0.00 175.35 176.43 1s0j s TYR 69 N -0.80 0.61 -0.07 3.18 1.13 -0.14 -0.39 117.35 120.86 1s0j s TYR 69 Ca 0.12 -0.79 -0.06 0.00 -1.41 0.00 0.00 57.07 54.93 1s0j s TYR 69 Cb -0.10 -0.39 0.02 0.00 -1.10 0.00 0.00 41.96 40.39 1s0j s TYR 69 CO 0.02 -0.21 0.19 0.45 -2.51 0.00 0.00 175.55 173.50 1s0j s SER 70 N -2.35 -0.20 -0.00 -0.18 0.15 -0.26 -0.84 113.70 110.01 1s0j s SER 70 Ca -0.00 0.39 0.14 0.00 0.70 0.00 0.00 55.95 57.18 1s0j s SER 70 Cb -0.01 0.38 0.39 0.00 -1.71 0.00 0.00 66.02 65.08 1s0j s SER 70 CO -0.04 -0.08 1.33 1.33 1.20 0.00 0.00 173.24 176.98 1s0j n VAL 71 N 3.16 1.03 -2.30 4.45 0.24 -1.26 -1.30 118.33 122.35 1s0j n VAL 71 Ca -0.15 -1.02 -0.15 0.00 -2.04 0.00 0.00 64.34 60.99 1s0j n VAL 71 Cb 0.58 0.48 0.03 0.00 -1.47 0.00 0.00 33.84 33.47 1s0j n VAL 71 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1s0j n ASP 72 N 0.78 3.64 -3.37 -1.34 5.68 -1.26 -4.97 116.55 115.71 1s0j n ASP 72 Ca 0.15 -3.13 -0.24 0.00 -0.50 0.00 0.00 54.79 51.07 1s0j n ASP 72 Cb 0.48 -0.39 0.01 0.00 -1.14 0.00 0.00 41.12 40.08 1s0j n ASP 72 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1s0j n ASP 73 N -0.67 -4.58 0.00 -1.12 8.00 -1.26 -2.78 116.55 114.14 1s0j n ASP 73 Ca 0.30 -0.43 0.00 0.00 0.71 0.00 0.00 54.79 55.37 1s0j n ASP 73 Cb 0.91 -3.73 0.00 0.00 -0.02 0.00 0.00 41.12 38.27 1s0j n ASP 73 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1s0j n GLY 74 N -1.37 0.77 0.10 0.44 0.00 -1.26 -4.95 105.19 98.92 1s0j n GLY 74 Ca -0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 1s0j n GLY 74 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1s0j h GLU 75 N 3.01 0.18 -5.63 1.61 4.39 -1.95 -3.45 114.58 112.74 1s0j h GLU 75 Ca 0.00 -0.10 -0.46 0.00 0.34 0.00 0.00 59.36 59.14 1s0j h GLU 75 Cb 0.00 0.01 -0.19 0.00 -0.10 0.00 0.00 28.75 28.47 1s0j h GLU 75 CO 0.00 0.65 -0.77 0.95 -1.16 0.00 0.00 179.01 178.68 1s0j s THR 76 N -4.14 1.49 0.06 1.13 -4.23 -1.26 -5.13 115.64 103.55 1s0j s THR 76 Ca -0.15 -1.73 0.01 0.00 -1.18 0.00 0.00 61.69 58.63 1s0j s THR 76 Cb 0.03 -1.60 -0.03 0.00 1.34 0.00 0.00 72.50 72.24 1s0j s THR 76 CO 0.72 -0.35 -0.06 0.26 -0.54 0.00 0.00 174.62 174.66 1s0j s TRP 77 N -1.98 0.64 0.16 3.99 0.52 -1.26 -4.44 118.94 116.57 1s0j s TRP 77 Ca 0.10 -0.75 0.07 0.00 0.02 0.00 0.00 56.10 55.54 1s0j s TRP 77 Cb -0.06 -0.40 -0.04 0.00 -1.15 0.00 0.00 33.47 31.82 1s0j s TRP 77 CO 0.04 -0.18 -0.01 -1.21 0.02 0.00 0.00 176.95 175.60 1s0j s GLU 78 N -2.74 2.39 -0.02 4.98 0.41 -0.02 -4.90 118.70 118.80 1s0j s GLU 78 Ca -0.01 -1.07 0.06 0.00 -0.41 0.00 0.00 54.97 53.55 1s0j s GLU 78 Cb -0.02 -2.37 -0.01 0.00 -1.78 0.00 0.00 34.13 29.95 1s0j s GLU 78 CO -0.04 0.47 -0.19 0.99 -0.49 0.00 0.00 175.26 176.00 1s0j s THR 79 N -1.62 1.52 0.24 3.63 2.01 -1.26 -0.96 115.64 119.19 1s0j s THR 79 Ca 0.26 -0.82 -0.14 0.00 0.31 0.00 0.00 61.69 61.31 1s0j s THR 79 Cb -0.10 -1.26 0.00 0.00 0.01 0.00 0.00 72.50 71.15 1s0j s THR 79 CO 0.18 0.43 0.49 0.00 -0.69 0.00 0.00 174.62 175.03 1s0j s GLN 80 N -0.41 1.53 -0.26 4.92 -2.07 -0.53 -4.87 119.66 117.97 1s0j s GLN 80 Ca 0.07 -1.19 -0.11 0.00 -1.82 0.00 0.00 55.36 52.30 1s0j s GLN 80 Cb -0.08 0.48 -0.05 0.00 -1.09 0.00 0.00 33.01 32.27 1s0j s GLN 80 CO -0.00 -0.64 0.20 0.42 -1.32 0.00 0.00 175.29 173.94 1s0j s ILE 81 N -3.99 5.32 0.02 3.63 -1.09 -1.26 -1.33 121.20 122.50 1s0j s ILE 81 Ca 0.20 0.21 -0.16 0.00 -2.23 0.00 0.00 60.65 58.67 1s0j s ILE 81 Cb -0.01 -3.54 -0.36 0.00 -1.58 0.00 0.00 42.46 36.98 1s0j s ILE 81 CO 0.07 0.28 0.98 0.00 -1.23 0.00 0.00 174.94 175.04 1s0j h ALA 82 N 8.02 -0.15 -3.34 9.38 0.00 -0.84 -3.46 119.26 128.88 1s0j h ALA 82 Ca -0.36 -0.87 -0.30 0.00 0.00 0.00 0.00 54.91 53.38 1s0j h ALA 82 Cb 1.18 0.19 -0.35 0.00 0.00 0.00 0.00 17.79 18.81 1s0j h ALA 82 CO 0.60 0.69 -0.69 0.42 0.00 0.00 0.00 179.25 180.27 1s0j s ILE 83 N -2.59 -0.10 0.13 0.00 1.01 -1.03 -4.86 121.20 113.76 1s0j s ILE 83 Ca -0.10 0.28 -0.02 0.00 0.00 0.00 0.00 60.65 60.82 1s0j s ILE 83 Cb 0.04 -0.17 -0.05 0.00 0.01 0.00 0.00 42.46 42.29 1s0j s ILE 83 CO 0.94 0.12 0.33 -1.59 0.00 0.00 0.00 174.94 174.74 1s0j s LYS 84 N 1.56 3.54 1.08 2.79 -2.85 -1.26 -0.66 119.74 123.93 1s0j s LYS 84 Ca -0.04 -0.27 -0.17 0.00 -1.00 0.00 0.00 55.97 54.49 1s0j s LYS 84 Cb -0.12 -2.90 0.24 0.00 -2.06 0.00 0.00 37.83 32.98 1s0j s LYS 84 CO -0.04 0.49 1.21 0.54 0.10 0.00 0.00 175.35 177.66 1s0j s ASN 85 N -2.66 2.06 0.42 0.03 6.03 -1.26 -4.90 114.94 114.66 1s0j s ASN 85 Ca 0.38 0.46 0.29 0.00 -1.03 0.00 0.00 52.86 52.97 1s0j s ASN 85 Cb -0.12 -0.62 1.27 0.00 -3.03 0.00 0.00 41.25 38.75 1s0j s ASN 85 CO 0.27 -3.40 1.87 0.77 -2.03 0.00 0.00 177.10 174.58 1s0j h SER 86 N -2.09 0.00 -1.43 3.54 4.64 -1.88 -3.46 113.55 112.87 1s0j h SER 86 Ca -0.45 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.50 1s0j h SER 86 Cb 1.27 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.25 1s0j h SER 86 CO 0.37 0.00 -0.38 0.54 -0.87 0.00 0.00 176.83 176.49 1s0j n ARG 87 N -2.66 -1.33 0.08 4.77 5.12 -1.26 -4.89 116.66 116.49 1s0j n ARG 87 Ca 0.01 1.06 -0.04 0.00 -1.93 0.00 0.00 57.85 56.95 1s0j n ARG 87 Cb 0.24 -5.42 0.15 0.00 -1.16 0.00 0.00 32.46 26.27 1s0j n ARG 87 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1s0j h ALA 88 N 0.28 0.92 -2.93 7.54 0.00 -1.90 -3.47 119.26 119.70 1s0j h ALA 88 Ca -0.39 -0.50 -0.21 0.00 0.00 0.00 0.00 54.91 53.80 1s0j h ALA 88 Cb 1.23 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.87 1s0j h ALA 88 CO 0.54 0.68 -0.10 -1.54 0.00 0.00 0.00 179.25 178.83 1s0j s SER 89 N -6.89 0.68 0.18 0.00 1.04 -1.25 -5.01 113.70 102.45 1s0j s SER 89 Ca -0.04 -1.39 0.16 0.00 0.48 0.00 0.00 55.95 55.16 1s0j s SER 89 Cb 0.12 0.69 0.77 0.00 0.10 0.00 0.00 66.02 67.71 1s0j s SER 89 CO 0.79 -1.36 1.50 -1.54 0.98 0.00 0.00 173.24 173.61 1s0j n SER 90 N -1.34 0.37 -0.06 7.02 3.41 -1.26 -2.48 113.62 119.29 1s0j n SER 90 Ca -0.01 0.64 0.06 0.00 -0.26 0.00 0.00 58.87 59.29 1s0j n SER 90 Cb 0.61 -0.70 0.08 0.00 -0.26 0.00 0.00 64.21 63.94 1s0j n SER 90 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1s0j n VAL 91 N -1.96 1.45 -1.74 -3.33 0.24 -1.26 -3.71 118.33 108.03 1s0j n VAL 91 Ca 0.01 -1.67 -0.38 0.00 -2.04 0.00 0.00 64.34 60.26 1s0j n VAL 91 Cb 0.10 0.09 0.05 0.00 -1.47 0.00 0.00 33.84 32.62 1s0j n VAL 91 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1s0j n SER 92 N -1.01 2.44 -3.58 -1.34 7.64 -1.04 -4.15 113.62 112.59 1s0j n SER 92 Ca 0.09 0.92 -0.14 0.00 1.01 0.00 0.00 58.87 60.75 1s0j n SER 92 Cb 0.49 -1.57 -0.06 0.00 -1.01 0.00 0.00 64.21 62.06 1s0j n SER 92 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1s0j s ARG 93 N -3.06 0.83 -0.14 1.43 1.70 -0.68 -2.56 118.95 116.47 1s0j s ARG 93 Ca 0.76 0.47 -0.04 0.00 -0.47 0.00 0.00 55.73 56.45 1s0j s ARG 93 Cb -0.40 0.40 -0.03 0.00 -0.57 0.00 0.00 34.95 34.34 1s0j s ARG 93 CO 0.46 -0.20 -0.00 0.14 -1.08 0.00 0.00 175.30 174.61 1s0j s VAL 94 N -0.57 4.21 0.14 4.99 -7.23 -0.91 -1.20 120.40 119.84 1s0j s VAL 94 Ca -0.04 -0.26 0.05 0.00 -1.81 0.00 0.00 61.98 59.93 1s0j s VAL 94 Cb -0.02 -2.83 -0.04 0.00 0.56 0.00 0.00 36.38 34.05 1s0j s VAL 94 CO 0.04 0.52 -0.12 0.68 -0.31 0.00 0.00 175.10 175.91 1s0j s VAL 95 N -0.06 1.29 -1.21 1.32 -7.23 0.62 -4.57 120.40 110.56 1s0j s VAL 95 Ca 0.03 -1.91 -0.27 0.00 -1.81 0.00 0.00 61.98 58.01 1s0j s VAL 95 Cb -0.13 -1.71 0.02 0.00 0.56 0.00 0.00 36.38 35.13 1s0j s VAL 95 CO 0.02 -0.58 0.69 0.47 -0.31 0.00 0.00 175.10 175.38 1s0j n ASP 96 N 0.12 -4.20 -4.73 4.85 10.43 -1.26 -1.83 116.55 119.93 1s0j n ASP 96 Ca -0.12 -1.19 -0.42 0.00 2.57 0.00 0.00 54.79 55.62 1s0j n ASP 96 Cb 0.59 -2.31 -0.03 0.00 1.84 0.00 0.00 41.12 41.21 1s0j n ASP 96 CO 0.00 0.00 0.00 -0.81 -1.07 0.00 0.00 177.20 175.32 1s0j n PRO 97 N -4.72 2.71 -4.74 -0.24 -0.04 -1.26 -4.22 135.00 122.49 1s0j n PRO 97 Ca -0.12 0.97 -0.29 0.00 -0.04 0.00 0.00 63.50 64.03 1s0j n PRO 97 Cb 0.58 -2.79 -0.17 0.00 -0.04 0.00 0.00 33.50 31.08 1s0j n PRO 97 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1s0j s THR 98 N 0.69 1.59 -0.06 0.52 2.01 -0.52 -2.94 115.64 116.92 1s0j s THR 98 Ca 0.71 -0.73 0.04 0.00 0.31 0.00 0.00 61.69 62.03 1s0j s THR 98 Cb -0.51 -1.42 -0.02 0.00 0.01 0.00 0.00 72.50 70.56 1s0j s THR 98 CO 0.39 0.46 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.90 1s0j s VAL 99 N 0.68 2.64 -0.05 3.82 1.01 0.01 -1.10 120.40 127.41 1s0j s VAL 99 Ca -0.13 -0.86 0.04 0.00 0.00 0.00 0.00 61.98 61.03 1s0j s VAL 99 Cb -0.16 -2.02 -0.00 0.00 0.00 0.00 0.00 36.38 34.20 1s0j s VAL 99 CO 0.03 0.57 -0.18 -0.63 0.00 0.00 0.00 175.10 174.90 1s0j s ILE 100 N -0.36 1.48 -0.18 2.22 1.01 -0.04 0.02 121.20 125.35 1s0j s ILE 100 Ca 0.03 -0.73 -0.12 0.00 0.00 0.00 0.00 60.65 59.83 1s0j s ILE 100 Cb -0.12 -1.28 -0.05 0.00 0.01 0.00 0.00 42.46 41.02 1s0j s ILE 100 CO 0.02 0.43 0.22 -0.69 0.00 0.00 0.00 174.94 174.92 1s0j s VAL 101 N 0.13 5.35 -0.10 2.92 1.01 -1.26 -0.54 120.40 127.91 1s0j s VAL 101 Ca -0.06 0.38 -0.04 0.00 0.00 0.00 0.00 61.98 62.25 1s0j s VAL 101 Cb -0.13 -3.56 0.05 0.00 0.00 0.00 0.00 36.38 32.74 1s0j s VAL 101 CO 0.03 0.41 0.22 -0.75 0.00 0.00 0.00 175.10 175.01 1s0j s LYS 102 N 0.45 0.15 7.98 2.72 2.20 -0.38 -4.70 119.74 128.17 1s0j s LYS 102 Ca 0.12 0.53 0.00 0.00 -0.36 0.00 0.00 55.97 56.27 1s0j s LYS 102 Cb -0.12 -0.13 0.00 0.00 -1.51 0.00 0.00 37.83 36.06 1s0j s LYS 102 CO 0.01 -0.20 0.00 0.41 -0.36 0.00 0.00 175.35 175.22 1s0j n GLY 103 N 4.51 3.62 1.77 5.54 0.00 -1.26 -0.77 105.19 118.59 1s0j n GLY 103 Ca -0.21 -0.10 0.08 0.00 0.00 0.00 0.00 46.02 45.79 1s0j n GLY 103 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1s0j n ASN 104 N 5.13 5.45 -4.67 1.61 6.94 -1.26 -4.54 115.26 123.93 1s0j n ASN 104 Ca 0.00 -2.87 -0.33 0.00 -0.02 0.00 0.00 54.58 51.36 1s0j n ASN 104 Cb 0.00 -0.66 -0.09 0.00 -2.36 0.00 0.00 39.78 36.67 1s0j n ASN 104 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1s0j s LYS 105 N -2.63 2.83 -0.21 -3.83 -0.14 0.05 -0.70 119.74 115.11 1s0j s LYS 105 Ca 0.53 -0.54 -0.05 0.00 -1.36 0.00 0.00 55.97 54.55 1s0j s LYS 105 Cb 0.40 -2.69 -0.02 0.00 -1.68 0.00 0.00 37.83 33.83 1s0j s LYS 105 CO 0.17 0.65 0.01 -0.51 -0.76 0.00 0.00 175.35 174.91 1s0j s LEU 106 N -1.24 3.28 -0.27 3.17 1.43 0.81 -1.25 118.68 124.62 1s0j s LEU 106 Ca 0.16 -0.21 -0.10 0.00 -1.03 0.00 0.00 54.13 52.96 1s0j s LEU 106 Cb -0.11 -1.84 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 1s0j s LEU 106 CO 0.06 0.04 0.14 -0.31 0.23 0.00 0.00 176.35 176.52 1s0j s TYR 107 N 1.15 3.17 -0.18 0.29 2.02 0.30 -0.50 117.35 123.61 1s0j s TYR 107 Ca 0.03 -0.08 0.01 0.00 -0.37 0.00 0.00 57.07 56.66 1s0j s TYR 107 Cb -0.14 -2.32 0.02 0.00 -0.40 0.00 0.00 41.96 39.12 1s0j s TYR 107 CO 0.02 -0.23 -0.18 0.08 -1.57 0.00 0.00 175.55 173.67 1s0j s VAL 108 N 1.69 1.92 -0.25 0.71 1.01 0.20 -0.86 120.40 124.82 1s0j s VAL 108 Ca 0.07 -0.90 -0.11 0.00 0.00 0.00 0.00 61.98 61.04 1s0j s VAL 108 Cb -0.16 -1.78 -0.05 0.00 0.00 0.00 0.00 36.38 34.40 1s0j s VAL 108 CO 0.08 0.48 0.17 -0.22 0.00 0.00 0.00 175.10 175.61 1s0j s LEU 109 N 1.34 4.09 0.02 3.92 2.96 -0.26 -1.01 118.68 129.74 1s0j s LEU 109 Ca 0.04 0.08 0.03 0.00 -0.22 0.00 0.00 54.13 54.06 1s0j s LEU 109 Cb -0.13 -2.12 -0.02 0.00 0.50 0.00 0.00 46.19 44.42 1s0j s LEU 109 CO -0.12 0.03 -0.10 0.68 -1.32 0.00 0.00 176.35 175.52 1s0j s VAL 110 N 1.28 0.73 0.55 1.68 -7.23 -0.14 -1.44 120.40 115.83 1s0j s VAL 110 Ca 0.08 -0.76 -0.18 0.00 -1.81 0.00 0.00 61.98 59.31 1s0j s VAL 110 Cb -0.14 -0.69 -0.06 0.00 0.56 0.00 0.00 36.38 36.05 1s0j s VAL 110 CO 0.07 -0.05 1.06 -0.83 -0.31 0.00 0.00 175.10 175.03 1s0j s GLY 111 N -0.90 2.33 -0.06 2.32 0.00 -0.76 -0.65 107.32 109.59 1s0j s GLY 111 Ca -0.01 0.52 0.02 0.00 0.00 0.00 0.00 44.72 45.25 1s0j s GLY 111 CO 0.00 0.85 -0.11 -0.45 0.00 0.00 0.00 173.10 173.39 1s0j s SER 112 N -2.37 1.64 0.01 1.64 0.15 -0.02 -0.28 113.70 114.47 1s0j s SER 112 Ca 0.66 -0.27 0.05 0.00 0.70 0.00 0.00 55.95 57.09 1s0j s SER 112 Cb -0.17 -0.73 -0.02 0.00 -1.71 0.00 0.00 66.02 63.40 1s0j s SER 112 CO 0.29 0.03 -0.15 -0.31 1.20 0.00 0.00 173.24 174.30 1s0j s TYR 113 N 0.63 1.37 -0.23 3.44 1.51 -0.34 -1.51 117.35 122.22 1s0j s TYR 113 Ca -0.13 -0.30 -0.19 0.00 -1.01 0.00 0.00 57.07 55.44 1s0j s TYR 113 Cb -0.15 -0.85 -0.17 0.00 -0.11 0.00 0.00 41.96 40.69 1s0j s TYR 113 CO 0.03 0.01 0.02 0.09 -1.11 0.00 0.00 175.55 174.59 1s0j n ASN 114 N 2.32 1.89 0.00 2.29 3.02 -1.11 -1.69 115.26 121.97 1s0j n ASN 114 Ca -0.16 0.40 0.00 0.00 -0.03 0.00 0.00 54.58 54.79 1s0j n ASN 114 Cb 0.55 -0.92 0.00 0.00 -0.61 0.00 0.00 39.78 38.80 1s0j n ASN 114 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1s0j n SER 115 N -4.38 0.00 -4.76 6.41 3.41 -1.26 -3.13 113.62 109.91 1s0j n SER 115 Ca -0.39 -0.76 -0.41 0.00 -0.26 0.00 0.00 58.87 57.05 1s0j n SER 115 Cb 0.74 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.67 1s0j n SER 115 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1s0j s SER 116 N 0.00 6.68 0.00 4.04 0.15 -1.26 -4.91 113.70 118.41 1s0j s SER 116 Ca 0.00 2.70 0.24 0.00 0.70 0.00 0.00 55.95 59.58 1s0j s SER 116 Cb 0.00 -2.64 0.47 0.00 -1.71 0.00 0.00 66.02 62.15 1s0j s SER 116 CO 0.00 -0.64 1.42 0.54 1.20 0.00 0.00 173.24 175.76 1s0j n ARG 117 N 1.58 2.23 -3.81 5.44 1.74 -1.26 -4.81 116.66 117.76 1s0j n ARG 117 Ca 0.04 -1.83 -0.32 0.00 -0.77 0.00 0.00 57.85 54.96 1s0j n ARG 117 Cb 0.41 -1.47 -0.05 0.00 -1.02 0.00 0.00 32.46 30.33 1s0j n ARG 117 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1s0j s SER 118 N -1.73 6.43 0.44 0.55 0.01 -1.26 -4.80 113.70 113.34 1s0j s SER 118 Ca 0.34 0.44 -0.26 0.00 1.31 0.00 0.00 55.95 57.79 1s0j s SER 118 Cb 0.21 -2.04 -0.09 0.00 0.21 0.00 0.00 66.02 64.31 1s0j s SER 118 CO 0.30 0.17 1.45 -0.31 0.41 0.00 0.00 173.24 175.27 1s0j s TYR 119 N -1.47 2.45 0.42 2.43 1.51 -1.26 -4.89 117.35 116.54 1s0j s TYR 119 Ca 0.33 1.23 0.11 0.00 -1.01 0.00 0.00 57.07 57.73 1s0j s TYR 119 Cb -0.13 -3.96 0.94 0.00 -0.11 0.00 0.00 41.96 38.70 1s0j s TYR 119 CO 0.23 -3.02 1.99 0.11 -1.11 0.00 0.00 175.55 173.75 1s0j h TRP 120 N 2.44 0.51 0.00 2.71 5.08 -1.98 -0.88 115.95 123.82 1s0j h TRP 120 Ca -0.51 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.47 1s0j h TRP 120 Cb 1.26 -0.17 0.00 0.00 -3.00 0.00 0.00 29.16 27.25 1s0j h TRP 120 CO 0.50 0.27 0.00 0.25 -1.28 0.00 0.00 178.44 178.18 1s0j n THR 121 N -4.47 0.39 1.17 0.12 -2.24 -1.26 -2.07 114.28 105.92 1s0j n THR 121 Ca 0.08 0.10 0.12 0.00 -2.27 0.00 0.00 64.05 62.09 1s0j n THR 121 Cb 0.28 -0.72 0.27 0.00 -2.10 0.00 0.00 70.33 68.06 1s0j n THR 121 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1s0j n SER 122 N -1.42 1.21 -4.77 3.42 3.41 -0.34 -4.82 113.62 110.32 1s0j n SER 122 Ca 0.07 -0.99 -0.39 0.00 -0.26 0.00 0.00 58.87 57.31 1s0j n SER 122 Cb 0.23 0.25 -0.03 0.00 -0.26 0.00 0.00 64.21 64.40 1s0j n SER 122 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1s0j s HIS 123 N -2.55 3.31 -0.57 7.33 3.76 -0.88 -4.93 115.29 120.76 1s0j s HIS 123 Ca 0.22 1.62 0.24 0.00 -0.15 0.00 0.00 55.06 56.99 1s0j s HIS 123 Cb 0.19 -3.31 0.30 0.00 1.11 0.00 0.00 32.58 30.86 1s0j s HIS 123 CO 0.56 -0.91 1.29 0.78 -0.85 0.00 0.00 174.74 175.61 1s0j h GLY 124 N 3.11 0.00 -1.15 -2.22 0.00 -1.91 -3.46 103.07 97.44 1s0j h GLY 124 Ca -0.48 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 46.71 1s0j h GLY 124 CO 0.64 0.00 0.07 2.09 0.00 0.00 0.00 176.54 179.35 1s0j n ASP 125 N -2.24 -1.77 -1.25 0.19 5.68 -1.26 -4.88 116.55 111.02 1s0j n ASP 125 Ca 0.03 -2.65 0.10 0.00 -0.50 0.00 0.00 54.79 51.76 1s0j n ASP 125 Cb 0.46 3.06 0.29 0.00 -1.14 0.00 0.00 41.12 43.79 1s0j n ASP 125 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1s0j n ALA 126 N -0.75 2.59 -0.47 2.12 0.00 -1.26 -4.64 120.51 118.11 1s0j n ALA 126 Ca -0.15 -1.19 0.38 0.00 0.00 0.00 0.00 53.44 52.49 1s0j n ALA 126 Cb 0.56 -0.97 0.69 0.00 0.00 0.00 0.00 19.45 19.73 1s0j n ALA 126 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1s0j h ARG 127 N 3.66 0.09 -0.24 0.00 0.11 -1.97 0.80 114.38 116.83 1s0j h ARG 127 Ca 0.00 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.07 1s0j h ARG 127 Cb 0.98 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 32.04 1s0j h ARG 127 CO 0.06 0.06 0.00 -3.47 0.10 0.00 0.00 179.97 176.72 1s0j n ASP 128 N -4.43 3.29 -4.56 0.08 2.03 -1.26 -5.01 116.55 106.70 1s0j n ASP 128 Ca 0.35 -2.00 -0.30 0.00 0.52 0.00 0.00 54.79 53.36 1s0j n ASP 128 Cb 1.46 -0.15 -0.10 0.00 -0.72 0.00 0.00 41.12 41.61 1s0j n ASP 128 CO 0.00 0.00 0.00 0.86 -1.92 0.00 0.00 177.20 176.14 1s0j s TRP 129 N -1.71 2.72 0.18 -0.67 -0.00 0.27 -2.77 118.94 116.97 1s0j s TRP 129 Ca 0.34 -0.16 -0.09 0.00 -0.00 0.00 0.00 56.10 56.19 1s0j s TRP 129 Cb 0.22 -1.45 -0.01 0.00 -0.00 0.00 0.00 33.47 32.23 1s0j s TRP 129 CO 0.31 0.40 0.30 0.34 -0.00 0.00 0.00 176.95 178.30 1s0j s ASP 130 N -2.03 0.03 -0.10 5.86 -1.08 -0.57 -4.98 116.67 113.80 1s0j s ASP 130 Ca 0.20 -0.91 -0.01 0.00 -0.52 0.00 0.00 52.55 51.31 1s0j s ASP 130 Cb -0.11 0.45 0.03 0.00 -1.46 0.00 0.00 42.92 41.83 1s0j s ASP 130 CO 0.12 -0.92 -0.04 -0.51 0.52 0.00 0.00 175.17 174.34 1s0j s ILE 131 N -3.99 0.70 0.04 4.11 1.10 -1.26 -0.84 121.20 121.06 1s0j s ILE 131 Ca 0.19 -0.10 0.09 0.00 -0.51 0.00 0.00 60.65 60.32 1s0j s ILE 131 Cb 0.03 -0.80 -0.03 0.00 0.15 0.00 0.00 42.46 41.81 1s0j s ILE 131 CO 0.02 0.30 -0.26 -0.76 -2.11 0.00 0.00 174.94 172.13 1s0j s LEU 132 N 1.84 2.15 -0.13 8.50 1.43 0.18 -0.64 118.68 132.01 1s0j s LEU 132 Ca 0.05 -0.56 0.01 0.00 -1.03 0.00 0.00 54.13 52.60 1s0j s LEU 132 Cb -0.13 -1.26 -0.00 0.00 0.03 0.00 0.00 46.19 44.83 1s0j s LEU 132 CO -0.07 0.26 -0.18 -0.22 0.23 0.00 0.00 176.35 176.37 1s0j s LEU 133 N -1.14 2.40 0.02 1.79 2.96 0.33 -0.97 118.68 124.08 1s0j s LEU 133 Ca 0.11 -0.46 0.08 0.00 -0.22 0.00 0.00 54.13 53.64 1s0j s LEU 133 Cb -0.10 -1.52 -0.02 0.00 0.50 0.00 0.00 46.19 45.04 1s0j s LEU 133 CO 0.02 0.13 -0.25 0.00 -1.32 0.00 0.00 176.35 174.93 1s0j s ALA 134 N 0.53 2.12 -0.14 5.97 0.00 -0.18 -0.97 121.76 129.10 1s0j s ALA 134 Ca -0.11 -1.17 0.01 0.00 0.00 0.00 0.00 51.96 50.69 1s0j s ALA 134 Cb -0.16 -0.47 -0.00 0.00 0.00 0.00 0.00 23.12 22.48 1s0j s ALA 134 CO 0.04 0.51 -0.18 0.08 0.00 0.00 0.00 175.76 176.21 1s0j s VAL 135 N -0.72 2.52 -0.13 0.00 1.01 -1.26 -0.63 120.40 121.19 1s0j s VAL 135 Ca 0.10 -0.83 -0.05 0.00 0.00 0.00 0.00 61.98 61.20 1s0j s VAL 135 Cb -0.10 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 1s0j s VAL 135 CO 0.01 0.53 0.04 -0.83 0.00 0.00 0.00 175.10 174.85 1s0j s GLY 136 N 0.64 1.91 -0.20 4.51 0.00 0.34 -0.80 107.32 113.73 1s0j s GLY 136 Ca -0.09 -0.76 -0.03 0.00 0.00 0.00 0.00 44.72 43.84 1s0j s GLY 136 CO 0.02 -0.27 -0.05 1.85 0.00 0.00 0.00 173.10 174.65 1s0j s GLU 137 N -0.35 3.42 -0.17 2.90 2.12 0.19 -0.13 118.70 126.68 1s0j s GLU 137 Ca 0.08 -0.62 -0.16 0.00 0.36 0.00 0.00 54.97 54.64 1s0j s GLU 137 Cb -0.12 -2.95 -0.04 0.00 0.26 0.00 0.00 34.13 31.28 1s0j s GLU 137 CO 0.02 -0.08 0.37 0.08 -0.54 0.00 0.00 175.26 175.10 1s0j s VAL 138 N 1.18 5.24 -0.02 3.70 1.01 0.12 -1.21 120.40 130.43 1s0j s VAL 138 Ca 0.02 0.69 0.06 0.00 0.00 0.00 0.00 61.98 62.76 1s0j s VAL 138 Cb -0.14 -3.71 -0.02 0.00 0.00 0.00 0.00 36.38 32.51 1s0j s VAL 138 CO -0.01 0.33 -0.21 -0.89 0.00 0.00 0.00 175.10 174.31 1s0j s THR 139 N 0.80 1.67 0.06 3.92 2.01 0.09 -4.86 115.64 119.34 1s0j s THR 139 Ca 0.19 -0.90 0.05 0.00 0.31 0.00 0.00 61.69 61.34 1s0j s THR 139 Cb -0.14 -1.39 -0.04 0.00 0.01 0.00 0.00 72.50 70.94 1s0j s THR 139 CO 0.07 0.47 -0.05 -0.54 -0.69 0.00 0.00 174.62 173.88 1s0j s LYS 140 N -0.45 2.44 0.20 4.92 1.02 -1.26 -1.42 119.74 125.20 1s0j s LYS 140 Ca 0.07 -0.84 -0.15 0.00 0.02 0.00 0.00 55.97 55.07 1s0j s LYS 140 Cb -0.09 -2.47 0.01 0.00 -0.52 0.00 0.00 37.83 34.77 1s0j s LYS 140 CO -0.00 0.56 0.47 0.45 -0.92 0.00 0.00 175.35 175.90 1s0j s SER 141 N -1.93 -0.16 -0.49 2.83 0.15 0.56 -4.98 113.70 109.68 1s0j s SER 141 Ca 0.21 -0.67 0.08 0.00 0.70 0.00 0.00 55.95 56.27 1s0j s SER 141 Cb -0.11 0.56 0.32 0.00 -1.71 0.00 0.00 66.02 65.08 1s0j s SER 141 CO 0.13 -1.05 0.80 0.35 1.20 0.00 0.00 173.24 174.66 1s0j n THR 142 N -0.33 1.35 -2.91 6.45 -2.24 -1.26 0.51 114.28 115.86 1s0j n THR 142 Ca -0.07 -5.00 -0.42 0.00 -2.27 0.00 0.00 64.05 56.29 1s0j n THR 142 Cb 0.62 -1.09 -0.04 0.00 -2.10 0.00 0.00 70.33 67.72 1s0j n THR 142 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1s0j s ALA 143 N -2.73 3.62 0.00 6.98 0.00 -0.98 -3.94 121.76 124.71 1s0j s ALA 143 Ca 0.43 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.27 1s0j s ALA 143 Cb 0.28 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 20.15 1s0j s ALA 143 CO -0.10 -0.85 0.00 0.41 0.00 0.00 0.00 175.76 175.22 1s0j n GLY 144 N 3.71 0.60 1.64 0.00 0.00 -1.26 -3.80 105.19 106.09 1s0j n GLY 144 Ca 0.05 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1s0j n GLY 144 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s0j n GLY 145 N -2.18 2.53 3.43 -0.02 0.00 -1.25 -5.03 105.19 102.66 1s0j n GLY 145 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1s0j n GLY 145 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s0j s LYS 146 N -0.54 1.56 0.31 1.61 -2.85 -1.25 -5.09 119.74 113.48 1s0j s LYS 146 Ca 0.00 -1.64 -0.29 0.00 -1.00 0.00 0.00 55.97 53.04 1s0j s LYS 146 Cb 0.00 -1.70 -0.10 0.00 -2.06 0.00 0.00 37.83 33.97 1s0j s LYS 146 CO 0.00 0.33 1.36 0.42 0.10 0.00 0.00 175.35 177.56 1s0j s ILE 147 N -2.23 2.67 0.10 3.79 -1.09 -1.26 -2.32 121.20 120.85 1s0j s ILE 147 Ca 0.25 0.63 0.02 0.00 -2.23 0.00 0.00 60.65 59.32 1s0j s ILE 147 Cb -0.06 -3.40 -0.04 0.00 -1.58 0.00 0.00 42.46 37.38 1s0j s ILE 147 CO 0.12 0.13 -0.07 0.42 -1.23 0.00 0.00 174.94 174.31 1s0j s THR 148 N -0.75 0.74 0.07 2.92 -4.23 0.18 -4.89 115.64 109.67 1s0j s THR 148 Ca 0.53 -1.84 -0.03 0.00 -1.18 0.00 0.00 61.69 59.17 1s0j s THR 148 Cb -0.41 -1.57 -0.03 0.00 1.34 0.00 0.00 72.50 71.84 1s0j s THR 148 CO 0.50 -0.79 0.04 0.00 -0.54 0.00 0.00 174.62 173.83 1s0j s ALA 149 N -3.29 0.36 0.07 3.99 0.00 -1.26 -0.33 121.76 121.30 1s0j s ALA 149 Ca 0.10 -1.09 -0.10 0.00 0.00 0.00 0.00 51.96 50.86 1s0j s ALA 149 Cb 0.03 0.40 0.01 0.00 0.00 0.00 0.00 23.12 23.56 1s0j s ALA 149 CO -0.03 -0.42 0.22 -1.54 0.00 0.00 0.00 175.76 173.98 1s0j s SER 150 N -2.92 0.03 -0.10 0.00 1.04 -0.50 -4.99 113.70 106.26 1s0j s SER 150 Ca 0.09 -0.47 0.01 0.00 0.48 0.00 0.00 55.95 56.05 1s0j s SER 150 Cb 0.07 0.33 0.02 0.00 0.10 0.00 0.00 66.02 66.54 1s0j s SER 150 CO -0.09 -0.67 -0.11 -0.63 0.98 0.00 0.00 173.24 172.73 1s0j s ILE 151 N -3.25 1.18 -0.27 -1.02 1.01 -1.26 -0.73 121.20 116.86 1s0j s ILE 151 Ca 0.00 -0.44 -0.09 0.00 0.00 0.00 0.00 60.65 60.12 1s0j s ILE 151 Cb 0.02 -1.12 -0.03 0.00 0.01 0.00 0.00 42.46 41.33 1s0j s ILE 151 CO -0.08 0.38 0.12 -0.75 0.00 0.00 0.00 174.94 174.62 1s0j s LYS 152 N 1.18 3.74 -0.18 2.79 2.20 -0.35 -4.88 119.74 124.24 1s0j s LYS 152 Ca -0.04 -0.44 -0.14 0.00 -0.36 0.00 0.00 55.97 54.98 1s0j s LYS 152 Cb -0.14 -3.47 -0.04 0.00 -1.51 0.00 0.00 37.83 32.66 1s0j s LYS 152 CO -0.03 -0.21 0.33 -1.58 -0.36 0.00 0.00 175.35 173.50 1s0j s TRP 153 N 1.67 3.42 0.78 4.03 0.52 -1.26 -0.64 118.94 127.46 1s0j s TRP 153 Ca 0.06 0.59 -0.12 0.00 0.02 0.00 0.00 56.10 56.65 1s0j s TRP 153 Cb -0.16 -2.41 0.06 0.00 -1.15 0.00 0.00 33.47 29.81 1s0j s TRP 153 CO 0.07 0.13 1.13 0.20 0.02 0.00 0.00 176.95 178.50 1s0j s GLY 154 N 0.73 1.61 0.33 0.98 0.00 0.02 -5.00 107.32 105.99 1s0j s GLY 154 Ca 0.17 -0.45 -0.28 0.00 0.00 0.00 0.00 44.72 44.16 1s0j s GLY 154 CO 0.06 -0.01 1.19 -0.56 0.00 0.00 0.00 173.10 173.78 1s0j s SER 155 N -4.33 6.92 0.46 1.64 0.01 -1.26 -4.54 113.70 112.60 1s0j s SER 155 Ca 0.60 2.44 -0.24 0.00 1.31 0.00 0.00 55.95 60.07 1s0j s SER 155 Cb -0.12 -2.63 -0.07 0.00 0.21 0.00 0.00 66.02 63.41 1s0j s SER 155 CO 0.51 -0.41 1.25 -2.84 0.41 0.00 0.00 173.24 172.17 1s0j s PRO 156 N -1.77 3.67 -0.08 12.44 0.02 -1.26 -4.75 135.00 143.27 1s0j s PRO 156 Ca 0.49 2.00 0.03 0.00 0.02 0.00 0.00 61.00 63.54 1s0j s PRO 156 Cb -0.35 -2.48 -0.02 0.00 0.02 0.00 0.00 34.50 31.68 1s0j s PRO 156 CO 0.45 -0.69 -0.16 0.08 -0.33 0.00 0.00 177.00 176.35 1s0j s VAL 157 N -1.40 2.91 0.18 3.83 1.01 -0.14 -4.90 120.40 121.88 1s0j s VAL 157 Ca 0.63 -0.76 -0.30 0.00 0.00 0.00 0.00 61.98 61.56 1s0j s VAL 157 Cb -0.34 -2.16 -0.07 0.00 0.00 0.00 0.00 36.38 33.81 1s0j s VAL 157 CO 0.42 0.57 1.00 -0.55 0.00 0.00 0.00 175.10 176.54 1s0j s SER 158 N -0.30 7.46 -0.11 3.32 0.15 -1.26 -0.51 113.70 122.45 1s0j s SER 158 Ca 0.02 1.95 0.16 0.00 0.70 0.00 0.00 55.95 58.78 1s0j s SER 158 Cb -0.13 -2.60 0.57 0.00 -1.71 0.00 0.00 66.02 62.15 1s0j s SER 158 CO 0.03 -0.05 1.48 0.18 1.20 0.00 0.00 173.24 176.08 1s0j n LEU 159 N 2.21 4.10 0.26 3.45 4.77 0.19 -4.61 117.00 127.37 1s0j n LEU 159 Ca 0.01 -2.53 0.09 0.00 -0.03 0.00 0.00 56.01 53.55 1s0j n LEU 159 Cb 0.47 -0.49 0.67 0.00 -2.33 0.00 0.00 43.42 41.75 1s0j n LEU 159 CO 0.52 0.74 1.08 0.50 -1.33 0.00 0.00 177.39 178.90 1s0j h LYS 160 N 2.88 0.00 0.00 3.23 3.64 -1.92 -1.20 116.57 123.20 1s0j h LYS 160 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1s0j h LYS 160 Cb 1.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 1s0j h LYS 160 CO 0.18 0.00 0.00 1.05 -2.27 0.00 0.00 179.45 178.41 1s0j h GLU 161 N 0.00 0.00 -0.25 1.90 4.11 -1.96 -1.72 114.58 116.66 1s0j h GLU 161 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1s0j h GLU 161 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1s0j h GLU 161 CO -0.00 0.00 0.00 1.19 0.07 0.00 0.00 179.01 180.27 1s0j n PHE 162 N -2.73 0.32 -3.64 2.06 3.01 -0.45 -4.84 117.46 111.19 1s0j n PHE 162 Ca -0.01 -0.16 -0.40 0.00 1.01 0.00 0.00 57.45 57.89 1s0j n PHE 162 Cb 0.13 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.48 1s0j n PHE 162 CO 0.00 0.00 0.00 0.12 1.01 0.00 0.00 176.76 177.89 1s0j s PHE 163 N -1.68 3.23 0.58 1.38 5.36 -0.65 -4.80 117.98 121.41 1s0j s PHE 163 Ca 0.33 -0.98 -0.18 0.00 -0.96 0.00 0.00 56.93 55.14 1s0j s PHE 163 Cb 0.18 -2.39 -0.04 0.00 -0.34 0.00 0.00 43.02 40.43 1s0j s PHE 163 CO 0.27 -0.63 1.12 -1.25 -1.46 0.00 0.00 175.22 173.26 1s0j s PRO 164 N 1.53 3.17 0.45 10.12 0.04 -1.26 -4.94 135.00 144.12 1s0j s PRO 164 Ca 0.02 1.51 0.24 0.00 0.04 0.00 0.00 61.00 62.81 1s0j s PRO 164 Cb -0.19 -1.99 0.95 0.00 0.04 0.00 0.00 34.50 33.31 1s0j s PRO 164 CO 0.06 -0.97 1.84 0.00 0.04 0.00 0.00 177.00 177.96 1s0j h ALA 165 N 0.76 1.03 -3.59 8.56 0.00 -1.97 -3.42 119.26 120.63 1s0j h ALA 165 Ca -0.49 -0.20 -0.39 0.00 0.00 0.00 0.00 54.91 53.84 1s0j h ALA 165 Cb 1.25 -0.03 -0.24 0.00 0.00 0.00 0.00 17.79 18.77 1s0j h ALA 165 CO 0.56 0.27 -0.77 -1.21 0.00 0.00 0.00 179.25 178.10 1s0j s GLU 166 N -3.68 0.77 0.13 0.00 2.02 -1.26 -1.32 118.70 115.36 1s0j s GLU 166 Ca 0.00 -0.72 0.06 0.00 0.02 0.00 0.00 54.97 54.33 1s0j s GLU 166 Cb 0.10 -0.72 -0.04 0.00 0.10 0.00 0.00 34.13 33.57 1s0j s GLU 166 CO 0.63 0.17 -0.13 -1.64 0.02 0.00 0.00 175.26 174.31 1s0j s MET 167 N -1.21 1.02 0.00 1.61 -1.94 -0.70 -4.88 119.30 113.20 1s0j s MET 167 Ca -0.01 -1.27 0.00 0.00 -1.71 0.00 0.00 55.69 52.70 1s0j s MET 167 Cb -0.08 -0.84 0.00 0.00 2.01 0.00 0.00 34.83 35.92 1s0j s MET 167 CO 0.01 0.15 0.00 0.39 -0.01 0.00 0.00 175.02 175.56 1s0j n GLU 168 N 0.42 0.00 -1.22 2.03 1.02 -1.26 0.21 120.64 121.84 1s0j n GLU 168 Ca -0.15 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.76 1s0j n GLU 168 Cb 0.58 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.99 1s0j n GLU 168 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1s0j n GLY 169 N 0.00 4.34 3.69 0.62 0.00 -1.26 -4.93 105.19 107.65 1s0j n GLY 169 Ca 0.00 -1.57 -0.09 0.00 0.00 0.00 0.00 46.02 44.36 1s0j n GLY 169 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1s0j s MET 170 N -1.90 1.59 -0.17 1.61 0.23 0.13 -5.14 119.30 115.65 1s0j s MET 170 Ca 0.47 -0.84 -0.04 0.00 -1.03 0.00 0.00 55.69 54.25 1s0j s MET 170 Cb 0.33 0.59 -0.03 0.00 -1.53 0.00 0.00 34.83 34.19 1s0j s MET 170 CO -0.12 -0.71 -0.02 -1.01 -2.03 0.00 0.00 175.02 171.13 1s0j s HIS 171 N -3.87 3.03 0.59 3.16 3.76 -1.26 -1.71 115.29 118.98 1s0j s HIS 171 Ca 0.08 -0.38 -0.14 0.00 -0.15 0.00 0.00 55.06 54.47 1s0j s HIS 171 Cb -0.04 -2.01 -0.04 0.00 1.11 0.00 0.00 32.58 31.60 1s0j s HIS 171 CO 0.00 -0.13 1.03 0.95 -0.85 0.00 0.00 174.74 175.74 1s0j s THR 172 N 0.64 4.21 0.00 1.30 -4.23 -0.44 -0.93 115.64 116.18 1s0j s THR 172 Ca -0.02 0.93 0.00 0.00 -1.18 0.00 0.00 61.69 61.42 1s0j s THR 172 Cb -0.14 -3.56 0.00 0.00 1.34 0.00 0.00 72.50 70.14 1s0j s THR 172 CO 0.02 -0.73 0.00 -3.20 -0.54 0.00 0.00 174.62 170.18 1s0j n ASN 173 N -2.22 0.00 -4.21 3.99 2.85 -0.23 -4.57 115.26 110.87 1s0j n ASN 173 Ca 0.07 0.00 -0.14 0.00 -0.11 0.00 0.00 54.58 54.41 1s0j n ASN 173 Cb 0.53 0.00 -0.10 0.00 1.24 0.00 0.00 39.78 41.45 1s0j n ASN 173 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 1s0j s GLN 174 N -0.24 1.28 0.08 1.20 -0.21 -1.21 -4.53 119.66 116.04 1s0j s GLN 174 Ca 0.00 -1.68 -0.13 0.00 0.02 0.00 0.00 55.36 53.57 1s0j s GLN 174 Cb 0.00 0.11 0.02 0.00 1.00 0.00 0.00 33.01 34.14 1s0j s GLN 174 CO 0.00 -0.37 0.30 -0.59 -2.12 0.00 0.00 175.29 172.51 1s0j s PHE 175 N -4.01 -0.06 0.05 0.91 -0.12 -1.26 -0.61 117.98 112.87 1s0j s PHE 175 Ca 0.39 -0.23 -0.02 0.00 -0.05 0.00 0.00 56.93 57.02 1s0j s PHE 175 Cb 0.07 0.10 -0.03 0.00 -0.63 0.00 0.00 43.02 42.53 1s0j s PHE 175 CO 0.13 -0.58 0.01 -0.51 -0.05 0.00 0.00 175.22 174.22 1s0j s LEU 176 N -2.55 2.27 0.94 -1.99 1.43 -0.47 -4.80 118.68 113.52 1s0j s LEU 176 Ca 0.01 -0.83 -0.11 0.00 -1.03 0.00 0.00 54.13 52.16 1s0j s LEU 176 Cb 0.02 0.31 0.16 0.00 0.03 0.00 0.00 46.19 46.71 1s0j s LEU 176 CO -0.08 -0.55 1.09 -0.83 0.23 0.00 0.00 176.35 176.20 1s0j s GLY 177 N -2.59 1.63 0.00 -3.19 0.00 -1.26 -0.73 107.32 101.18 1s0j s GLY 177 Ca 0.02 0.13 0.31 0.00 0.00 0.00 0.00 44.72 45.18 1s0j s GLY 177 CO -0.08 0.63 2.15 0.61 0.00 0.00 0.00 173.10 176.41 1s0j n GLY 178 N -0.39 -0.92 0.00 0.20 0.00 -0.97 -4.48 105.19 98.62 1s0j n GLY 178 Ca 0.08 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1s0j n GLY 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s0j n ALA 179 N -0.90 0.00 -0.35 4.61 0.00 -1.26 -4.32 120.51 118.29 1s0j n ALA 179 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1s0j n ALA 179 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.60 1s0j n ALA 179 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s0j n GLY 180 N -1.93 1.33 3.29 0.00 0.00 -1.15 -4.77 105.19 101.96 1s0j n GLY 180 Ca 0.00 -0.65 -0.32 0.00 0.00 0.00 0.00 46.02 45.04 1s0j n GLY 180 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s0j s VAL 181 N 0.00 2.55 0.00 1.61 1.01 -1.26 -0.81 120.40 123.51 1s0j s VAL 181 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.14 1s0j s VAL 181 Cb 0.00 -2.03 0.00 0.00 0.00 0.00 0.00 36.38 34.35 1s0j s VAL 181 CO 0.00 0.54 0.00 0.00 0.00 0.00 0.00 175.10 175.64 1s0j n ALA 182 N 3.57 0.00 -2.14 5.51 0.00 0.10 -4.71 120.51 122.84 1s0j n ALA 182 Ca -0.19 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.17 1s0j n ALA 182 Cb 0.53 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.88 1s0j n ALA 182 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1s0j s ILE 183 N 1.49 0.14 -0.22 0.00 -4.36 -1.08 -4.68 121.20 112.49 1s0j s ILE 183 Ca 0.00 -1.86 -0.09 0.00 -0.26 0.00 0.00 60.65 58.44 1s0j s ILE 183 Cb 0.00 -1.85 -0.04 0.00 1.25 0.00 0.00 42.46 41.82 1s0j s ILE 183 CO 0.00 -0.65 0.11 -0.69 0.24 0.00 0.00 174.94 173.94 1s0j s VAL 184 N -4.00 4.90 0.77 8.37 1.01 -1.26 -0.77 120.40 129.43 1s0j s VAL 184 Ca 0.18 0.02 -0.11 0.00 0.00 0.00 0.00 61.98 62.06 1s0j s VAL 184 Cb 0.08 -3.26 0.05 0.00 0.00 0.00 0.00 36.38 33.25 1s0j s VAL 184 CO -0.02 0.38 1.09 0.00 0.00 0.00 0.00 175.10 176.55 1s0j s ALA 185 N 0.99 2.39 -0.31 5.51 0.00 0.19 -4.88 121.76 125.64 1s0j s ALA 185 Ca 0.05 -0.19 0.20 0.00 0.00 0.00 0.00 51.96 52.02 1s0j s ALA 185 Cb -0.14 -3.10 1.05 0.00 0.00 0.00 0.00 23.12 20.93 1s0j s ALA 185 CO 0.03 -1.59 1.62 -1.13 0.00 0.00 0.00 175.76 174.70 1s0j n SER 186 N -3.34 0.54 -0.74 0.00 3.41 -1.26 -0.21 113.62 112.02 1s0j n SER 186 Ca 0.07 0.73 0.11 0.00 -0.26 0.00 0.00 58.87 59.52 1s0j n SER 186 Cb 0.56 -0.80 0.33 0.00 -0.26 0.00 0.00 64.21 64.03 1s0j n SER 186 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1s0j n ASN 187 N -2.19 2.23 0.00 4.04 6.94 -1.26 -4.94 115.26 120.07 1s0j n ASN 187 Ca -0.01 -1.78 0.00 0.00 -0.02 0.00 0.00 54.58 52.77 1s0j n ASN 187 Cb 0.07 -0.11 0.00 0.00 -2.36 0.00 0.00 39.78 37.37 1s0j n ASN 187 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1s0j n GLY 188 N 1.25 1.11 3.76 4.83 0.00 0.70 -5.05 105.19 111.80 1s0j n GLY 188 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1s0j n GLY 188 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1s0j s ASN 189 N -2.75 6.84 0.09 1.61 0.01 -1.25 -4.67 114.94 114.81 1s0j s ASN 189 Ca 0.00 2.60 -0.30 0.00 -0.71 0.00 0.00 52.86 54.44 1s0j s ASN 189 Cb 0.00 -2.64 -0.06 0.00 0.41 0.00 0.00 41.25 38.96 1s0j s ASN 189 CO 0.00 -0.50 1.17 -0.76 -1.51 0.00 0.00 177.10 175.50 1s0j s LEU 190 N -1.37 4.40 -0.20 0.60 1.43 -0.65 -0.64 118.68 122.25 1s0j s LEU 190 Ca 0.50 2.03 -0.02 0.00 -1.03 0.00 0.00 54.13 55.62 1s0j s LEU 190 Cb -0.39 -3.59 0.06 0.00 0.03 0.00 0.00 46.19 42.31 1s0j s LEU 190 CO 0.48 -0.41 0.01 -0.69 0.23 0.00 0.00 176.35 175.97 1s0j s VAL 191 N 0.74 0.81 -0.26 -1.59 1.01 0.05 -1.06 120.40 120.11 1s0j s VAL 191 Ca 0.56 -0.72 -0.08 0.00 0.00 0.00 0.00 61.98 61.75 1s0j s VAL 191 Cb -0.29 -1.23 -0.03 0.00 0.00 0.00 0.00 36.38 34.83 1s0j s VAL 191 CO 0.31 -0.15 0.09 -0.31 0.00 0.00 0.00 175.10 175.03 1s0j s TYR 192 N 1.73 3.11 0.15 5.22 4.12 0.12 -2.64 117.35 129.16 1s0j s TYR 192 Ca -0.02 -0.42 -0.30 0.00 0.02 0.00 0.00 57.07 56.35 1s0j s TYR 192 Cb -0.17 -2.26 -0.07 0.00 -1.52 0.00 0.00 41.96 37.93 1s0j s TYR 192 CO -0.07 -0.36 1.14 -1.25 0.02 0.00 0.00 175.55 175.02 1s0j s PRO 193 N 1.62 4.53 0.13 -1.71 0.05 -1.26 -1.01 135.00 137.36 1s0j s PRO 193 Ca 0.06 1.75 0.08 0.00 0.05 0.00 0.00 61.00 62.95 1s0j s PRO 193 Cb -0.15 -3.29 -0.04 0.00 0.05 0.00 0.00 34.50 31.07 1s0j s PRO 193 CO 0.04 -0.04 -0.19 0.14 0.05 0.00 0.00 177.00 177.00 1s0j s VAL 194 N 0.15 1.71 -0.15 -0.36 -7.23 0.08 -2.30 120.40 112.30 1s0j s VAL 194 Ca 0.52 -1.74 -0.05 0.00 -1.81 0.00 0.00 61.98 58.90 1s0j s VAL 194 Cb -0.30 -1.68 -0.04 0.00 0.56 0.00 0.00 36.38 34.92 1s0j s VAL 194 CO 0.34 -0.23 0.02 0.00 -0.31 0.00 0.00 175.10 174.92 1s0j s GLN 195 N -2.43 3.67 0.04 4.82 -2.07 0.09 -1.23 119.66 122.56 1s0j s GLN 195 Ca 0.11 -0.40 0.06 0.00 -1.82 0.00 0.00 55.36 53.32 1s0j s GLN 195 Cb -0.07 -3.04 -0.02 0.00 -1.09 0.00 0.00 33.01 28.78 1s0j s GLN 195 CO 0.05 0.37 -0.18 0.08 -1.32 0.00 0.00 175.29 174.29 1s0j s VAL 196 N 0.05 1.46 0.15 3.63 1.01 0.64 -1.36 120.40 125.97 1s0j s VAL 196 Ca 0.03 -1.14 0.08 0.00 0.00 0.00 0.00 61.98 60.95 1s0j s VAL 196 Cb -0.13 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 1s0j s VAL 196 CO 0.01 0.12 -0.07 0.42 0.00 0.00 0.00 175.10 175.58 1s0j s THR 197 N -0.83 3.40 0.39 3.92 -4.23 0.22 -1.05 115.64 117.46 1s0j s THR 197 Ca 0.05 -1.44 0.05 0.00 -1.18 0.00 0.00 61.69 59.17 1s0j s THR 197 Cb -0.08 -2.65 0.05 0.00 1.34 0.00 0.00 72.50 71.15 1s0j s THR 197 CO 0.02 -0.02 0.39 -0.46 -0.54 0.00 0.00 174.62 174.01 1s0j n ASN 198 N 0.28 1.94 0.00 3.99 0.23 -0.67 -1.07 115.26 119.96 1s0j n ASN 198 Ca -0.12 -2.22 0.11 0.00 -0.53 0.00 0.00 54.58 51.82 1s0j n ASN 198 Cb 0.54 -0.13 0.53 0.00 -2.08 0.00 0.00 39.78 38.64 1s0j n ASN 198 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1s0j n LYS 199 N -1.58 0.16 -0.10 -3.83 4.76 -0.11 -1.22 118.16 116.24 1s0j n LYS 199 Ca 0.03 0.09 0.11 0.00 -2.87 0.00 0.00 58.31 55.67 1s0j n LYS 199 Cb 0.43 -1.50 0.34 0.00 -1.84 0.00 0.00 35.03 32.46 1s0j n LYS 199 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1s0j n LYS 200 N -1.40 1.85 -1.55 1.97 5.02 -1.26 -4.91 118.16 117.87 1s0j n LYS 200 Ca 0.08 -1.27 -0.13 0.00 -2.02 0.00 0.00 58.31 54.97 1s0j n LYS 200 Cb 0.23 -1.41 -0.05 0.00 -0.02 0.00 0.00 35.03 33.78 1s0j n LYS 200 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1s0j n LYS 201 N 0.50 -0.93 -2.88 1.97 5.02 -0.35 -5.02 118.16 116.47 1s0j n LYS 201 Ca 0.16 0.89 -0.33 0.00 -2.02 0.00 0.00 58.31 57.01 1s0j n LYS 201 Cb 0.37 -4.98 -0.07 0.00 -0.02 0.00 0.00 35.03 30.33 1s0j n LYS 201 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1s0j s GLN 202 N -3.41 4.22 -0.01 1.97 -0.21 -1.26 -4.85 119.66 116.11 1s0j s GLN 202 Ca 0.00 1.05 0.04 0.00 0.02 0.00 0.00 55.36 56.47 1s0j s GLN 202 Cb 0.00 -2.29 -0.03 0.00 1.00 0.00 0.00 33.01 31.69 1s0j s GLN 202 CO 0.00 0.04 -0.11 0.54 -2.12 0.00 0.00 175.29 173.64 1s0j s VAL 203 N -2.08 3.34 0.20 1.09 0.11 -1.26 -1.68 120.40 120.13 1s0j s VAL 203 Ca 0.59 -0.79 -0.15 0.00 -2.93 0.00 0.00 61.98 58.70 1s0j s VAL 203 Cb -0.10 -2.40 0.01 0.00 -1.53 0.00 0.00 36.38 32.37 1s0j s VAL 203 CO 0.15 0.47 0.48 0.72 -3.33 0.00 0.00 175.10 173.59 1s0j s PHE 204 N -0.89 0.06 0.08 1.54 -0.12 -0.21 -0.22 117.98 118.22 1s0j s PHE 204 Ca 0.14 -0.42 0.05 0.00 -0.05 0.00 0.00 56.93 56.66 1s0j s PHE 204 Cb -0.11 0.30 -0.04 0.00 -0.63 0.00 0.00 43.02 42.54 1s0j s PHE 204 CO 0.04 -0.92 -0.04 -1.12 -0.05 0.00 0.00 175.22 173.13 1s0j s SER 205 N -2.92 4.77 0.20 1.98 0.01 -1.18 -0.26 113.70 116.30 1s0j s SER 205 Ca 0.13 -0.24 -0.01 0.00 1.31 0.00 0.00 55.95 57.15 1s0j s SER 205 Cb -0.00 -1.07 -0.04 0.00 0.21 0.00 0.00 66.02 65.12 1s0j s SER 205 CO 0.00 0.19 0.13 -0.54 0.41 0.00 0.00 173.24 173.44 1s0j s LYS 206 N -2.13 1.20 -0.17 12.44 -0.14 -0.36 -1.78 119.74 128.79 1s0j s LYS 206 Ca 0.23 -1.63 -0.06 0.00 -1.36 0.00 0.00 55.97 53.15 1s0j s LYS 206 Cb -0.11 0.24 -0.04 0.00 -1.68 0.00 0.00 37.83 36.25 1s0j s LYS 206 CO 0.15 -0.38 0.03 0.42 -0.76 0.00 0.00 175.35 174.80 1s0j s ILE 207 N -4.14 4.45 -0.20 2.17 -1.09 -1.26 -0.74 121.20 120.39 1s0j s ILE 207 Ca 0.39 -0.16 0.01 0.00 -2.23 0.00 0.00 60.65 58.66 1s0j s ILE 207 Cb 0.07 -2.99 0.04 0.00 -1.58 0.00 0.00 42.46 38.01 1s0j s ILE 207 CO 0.12 0.47 -0.10 0.12 -1.23 0.00 0.00 174.94 174.32 1s0j s PHE 208 N 0.40 2.44 0.11 3.97 2.19 -0.18 -0.78 117.98 126.14 1s0j s PHE 208 Ca 0.01 -1.63 0.01 0.00 0.33 0.00 0.00 56.93 55.65 1s0j s PHE 208 Cb -0.13 -1.64 -0.04 0.00 -1.31 0.00 0.00 43.02 39.89 1s0j s PHE 208 CO 0.01 -0.75 -0.04 1.52 1.83 0.00 0.00 175.22 177.79 1s0j s TYR 209 N 1.39 0.94 -0.05 10.12 1.13 -0.13 -0.70 117.35 130.05 1s0j s TYR 209 Ca -0.02 -0.96 0.02 0.00 -1.41 0.00 0.00 57.07 54.69 1s0j s TYR 209 Cb -0.17 -0.55 0.02 0.00 -1.10 0.00 0.00 41.96 40.17 1s0j s TYR 209 CO -0.08 -0.19 -0.08 0.45 -2.51 0.00 0.00 175.55 173.14 1s0j s SER 210 N -3.07 1.31 0.00 -0.18 0.15 -0.22 -0.78 113.70 110.90 1s0j s SER 210 Ca 0.15 -0.20 0.25 0.00 0.70 0.00 0.00 55.95 56.85 1s0j s SER 210 Cb 0.06 -0.62 0.50 0.00 -1.71 0.00 0.00 66.02 64.25 1s0j s SER 210 CO -0.03 -0.01 1.43 -0.62 1.20 0.00 0.00 173.24 175.21 1s0j n GLU 211 N 3.92 2.10 -2.59 5.44 1.02 -1.26 -1.64 120.64 127.64 1s0j n GLU 211 Ca -0.24 -1.60 -0.12 0.00 -0.02 0.00 0.00 57.16 55.18 1s0j n GLU 211 Cb 0.51 -1.47 0.03 0.00 -0.02 0.00 0.00 31.44 30.49 1s0j n GLU 211 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1s0j n ASP 212 N 0.94 2.57 -2.38 1.62 3.85 -1.26 -4.95 116.55 116.94 1s0j n ASP 212 Ca 0.16 -2.86 -0.21 0.00 -0.71 0.00 0.00 54.79 51.17 1s0j n ASP 212 Cb 0.51 -0.48 -0.01 0.00 -1.35 0.00 0.00 41.12 39.79 1s0j n ASP 212 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 1s0j n GLU 213 N -0.37 -1.69 -0.39 0.11 -0.58 -1.26 -2.85 120.64 113.62 1s0j n GLU 213 Ca 0.19 1.02 0.00 0.00 -0.42 0.00 0.00 57.16 57.95 1s0j n GLU 213 Cb 0.80 -5.68 0.00 0.00 -0.57 0.00 0.00 31.44 25.99 1s0j n GLU 213 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1s0j n GLY 214 N -1.00 0.76 0.19 0.62 0.00 -1.26 -4.96 105.19 99.53 1s0j n GLY 214 Ca -0.25 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.61 1s0j n GLY 214 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s0j h LYS 215 N 3.45 0.61 -5.42 1.61 1.79 -1.94 -3.45 116.57 113.21 1s0j h LYS 215 Ca 0.00 -0.48 -0.41 0.00 -2.18 0.00 0.00 60.65 57.57 1s0j h LYS 215 Cb 0.00 0.10 -0.17 0.00 -1.58 0.00 0.00 32.23 30.58 1s0j h LYS 215 CO 0.00 1.11 -0.75 0.95 -1.08 0.00 0.00 179.45 179.68 1s0j s THR 216 N -3.74 1.41 0.06 -0.16 -4.23 -1.26 -5.11 115.64 102.60 1s0j s THR 216 Ca -0.12 -1.88 0.04 0.00 -1.18 0.00 0.00 61.69 58.55 1s0j s THR 216 Cb 0.07 -1.70 -0.03 0.00 1.34 0.00 0.00 72.50 72.18 1s0j s THR 216 CO 0.85 -0.50 -0.12 0.26 -0.54 0.00 0.00 174.62 174.57 1s0j s TRP 217 N -2.48 1.04 0.10 3.99 0.52 -1.26 -4.33 118.94 116.52 1s0j s TRP 217 Ca 0.13 -0.45 0.05 0.00 0.02 0.00 0.00 56.10 55.86 1s0j s TRP 217 Cb -0.03 -0.60 -0.03 0.00 -1.15 0.00 0.00 33.47 31.66 1s0j s TRP 217 CO 0.03 0.01 -0.13 0.15 0.02 0.00 0.00 176.95 177.03 1s0j s LYS 218 N -1.57 0.93 -0.14 4.98 1.02 0.04 -4.88 119.74 120.12 1s0j s LYS 218 Ca -0.04 -1.14 -0.07 0.00 0.02 0.00 0.00 55.97 54.74 1s0j s LYS 218 Cb -0.09 -0.80 -0.04 0.00 -0.52 0.00 0.00 37.83 36.37 1s0j s LYS 218 CO 0.02 0.16 0.10 -0.06 -0.92 0.00 0.00 175.35 174.64 1s0j s PHE 219 N -1.96 3.43 0.63 3.18 0.40 -1.26 -0.95 117.98 121.44 1s0j s PHE 219 Ca 0.05 0.35 -0.18 0.00 -0.60 0.00 0.00 56.93 56.55 1s0j s PHE 219 Cb -0.06 -1.98 -0.02 0.00 0.51 0.00 0.00 43.02 41.48 1s0j s PHE 219 CO 0.02 0.51 1.24 0.20 0.70 0.00 0.00 175.22 177.89 1s0j s GLY 220 N -0.51 2.76 0.40 4.36 0.00 0.04 -4.92 107.32 109.45 1s0j s GLY 220 Ca 0.11 1.08 0.21 0.00 0.00 0.00 0.00 44.72 46.13 1s0j s GLY 220 CO 0.02 1.49 1.75 0.50 0.00 0.00 0.00 173.10 176.86 1s0j h LYS 221 N 0.66 0.00 0.00 2.90 1.57 -1.74 -3.44 116.57 116.52 1s0j h LYS 221 Ca -0.50 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 57.81 1s0j h LYS 221 Cb 1.31 0.00 0.09 0.00 0.08 0.00 0.00 32.23 33.72 1s0j h LYS 221 CO 0.54 0.31 0.14 0.41 -0.57 0.00 0.00 179.45 180.28 1s0j n GLY 222 N 0.29 0.51 3.68 3.86 0.00 0.45 -4.92 105.19 109.05 1s0j n GLY 222 Ca 0.00 -2.01 -0.09 0.00 0.00 0.00 0.00 46.02 43.92 1s0j n GLY 222 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1s0j s ARG 223 N -5.20 1.59 0.98 1.61 1.70 -1.26 -4.69 118.95 113.67 1s0j s ARG 223 Ca 0.68 -0.96 -0.16 0.00 -0.47 0.00 0.00 55.73 54.82 1s0j s ARG 223 Cb -0.04 0.56 0.19 0.00 -0.57 0.00 0.00 34.95 35.09 1s0j s ARG 223 CO 0.45 -0.70 1.23 -1.54 -1.08 0.00 0.00 175.30 173.66 1s0j s SER 224 N -2.91 2.92 0.85 -2.89 1.04 -0.74 -4.79 113.70 107.18 1s0j s SER 224 Ca 0.12 0.52 -0.12 0.00 0.48 0.00 0.00 55.95 56.95 1s0j s SER 224 Cb -0.03 -0.75 0.11 0.00 0.10 0.00 0.00 66.02 65.45 1s0j s SER 224 CO 0.03 -2.87 1.17 0.00 0.98 0.00 0.00 173.24 172.55 1s0j s ALA 225 N -3.57 1.71 0.48 5.32 0.00 -1.26 -4.65 121.76 119.78 1s0j s ALA 225 Ca 0.70 0.71 -0.23 0.00 0.00 0.00 0.00 51.96 53.14 1s0j s ALA 225 Cb -0.08 -3.46 -0.07 0.00 0.00 0.00 0.00 23.12 19.51 1s0j s ALA 225 CO 0.53 -2.46 1.22 -0.06 0.00 0.00 0.00 175.76 174.99 1s0j s PHE 226 N -2.39 2.72 0.00 0.00 0.40 -1.26 -3.20 117.98 114.25 1s0j s PHE 226 Ca 0.70 1.49 0.00 0.00 -0.60 0.00 0.00 56.93 58.52 1s0j s PHE 226 Cb -0.26 -3.50 0.00 0.00 0.51 0.00 0.00 43.02 39.77 1s0j s PHE 226 CO 0.54 -1.89 0.00 0.41 0.70 0.00 0.00 175.22 174.97 1s0j n GLY 227 N 0.54 0.14 3.57 4.36 0.00 0.69 -5.00 105.19 109.49 1s0j n GLY 227 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1s0j n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s0j n SER 229 N 6.03 2.37 -3.90 0.00 3.41 0.41 -3.09 113.62 118.86 1s0j n SER 229 Ca -0.01 -2.39 -0.25 0.00 -0.26 0.00 0.00 58.87 55.96 1s0j n SER 229 Cb 0.49 0.35 0.01 0.00 -0.26 0.00 0.00 64.21 64.79 1s0j n SER 229 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1s0j n GLU 230 N -0.73 -0.60 -2.43 4.33 1.02 -1.26 -1.39 120.64 119.57 1s0j n GLU 230 Ca -0.10 -0.20 -0.35 0.00 -0.02 0.00 0.00 57.16 56.48 1s0j n GLU 230 Cb 0.40 -0.86 -0.02 0.00 -0.02 0.00 0.00 31.44 30.94 1s0j n GLU 230 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1s0j s PRO 231 N -6.25 3.74 -0.01 3.49 0.04 -1.26 -3.96 135.00 130.79 1s0j s PRO 231 Ca 0.26 1.51 0.02 0.00 0.04 0.00 0.00 61.00 62.83 1s0j s PRO 231 Cb -0.14 -2.19 -0.00 0.00 0.04 0.00 0.00 34.50 32.20 1s0j s PRO 231 CO 0.52 -0.51 -0.08 0.54 0.04 0.00 0.00 177.00 177.51 1s0j s VAL 232 N -1.81 0.62 0.12 -0.36 0.11 -0.46 -4.30 120.40 114.32 1s0j s VAL 232 Ca 0.67 -0.32 0.05 0.00 -2.93 0.00 0.00 61.98 59.45 1s0j s VAL 232 Cb -0.21 -0.53 -0.04 0.00 -1.53 0.00 0.00 36.38 34.07 1s0j s VAL 232 CO 0.25 0.18 -0.11 0.00 -3.33 0.00 0.00 175.10 172.09 1s0j s ALA 233 N -0.05 1.34 0.21 1.54 0.00 -1.26 -0.45 121.76 123.09 1s0j s ALA 233 Ca 0.01 -1.33 -0.02 0.00 0.00 0.00 0.00 51.96 50.62 1s0j s ALA 233 Cb -0.04 0.01 -0.03 0.00 0.00 0.00 0.00 23.12 23.05 1s0j s ALA 233 CO -0.00 -0.02 0.19 -0.48 0.00 0.00 0.00 175.76 175.44 1s0j s LEU 234 N -2.71 1.05 -0.10 0.00 0.05 -0.75 -4.68 118.68 111.54 1s0j s LEU 234 Ca 0.10 -1.34 -0.01 0.00 0.05 0.00 0.00 54.13 52.93 1s0j s LEU 234 Cb -0.01 0.59 -0.03 0.00 -2.05 0.00 0.00 46.19 44.68 1s0j s LEU 234 CO 0.01 -0.89 -0.05 -0.70 -0.55 0.00 0.00 176.35 174.17 1s0j s GLU 235 N -4.11 3.14 -0.06 1.48 2.12 -1.26 -0.77 118.70 119.24 1s0j s GLU 235 Ca 0.37 -0.52 -0.03 0.00 0.36 0.00 0.00 54.97 55.15 1s0j s GLU 235 Cb 0.06 -2.74 0.04 0.00 0.26 0.00 0.00 34.13 31.74 1s0j s GLU 235 CO 0.12 0.51 0.10 -0.46 -0.54 0.00 0.00 175.26 174.99 1s0j s TRP 236 N -0.37 -0.04 -1.52 5.30 -0.11 0.23 -4.87 118.94 117.56 1s0j s TRP 236 Ca 0.06 0.40 -0.05 0.00 1.22 0.00 0.00 56.10 57.73 1s0j s TRP 236 Cb -0.12 -0.39 0.04 0.00 -1.50 0.00 0.00 33.47 31.50 1s0j s TRP 236 CO 0.02 -0.22 0.42 0.39 -4.62 0.00 0.00 176.95 172.94 1s0j n GLU 237 N 5.29 -2.68 -0.86 5.86 1.02 -1.26 -1.22 120.64 126.80 1s0j n GLU 237 Ca -0.04 0.32 0.00 0.00 -0.02 0.00 0.00 57.16 57.42 1s0j n GLU 237 Cb 0.50 -4.46 0.00 0.00 -0.02 0.00 0.00 31.44 27.46 1s0j n GLU 237 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1s0j n GLY 238 N -1.95 0.84 3.33 0.62 0.00 -1.26 -5.02 105.19 101.75 1s0j n GLY 238 Ca -0.21 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.59 1s0j n GLY 238 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s0j s LYS 239 N -0.14 1.28 0.03 1.61 1.02 -0.36 -4.76 119.74 118.42 1s0j s LYS 239 Ca 0.00 -1.42 -0.24 0.00 0.02 0.00 0.00 55.97 54.33 1s0j s LYS 239 Cb 0.00 -1.33 -0.05 0.00 -0.52 0.00 0.00 37.83 35.93 1s0j s LYS 239 CO 0.00 0.27 0.73 -0.51 -0.92 0.00 0.00 175.35 174.91 1s0j s LEU 240 N -2.69 4.44 -0.22 3.17 1.43 0.42 -0.60 118.68 124.63 1s0j s LEU 240 Ca 0.16 1.38 -0.04 0.00 -1.03 0.00 0.00 54.13 54.60 1s0j s LEU 240 Cb -0.06 -3.16 -0.01 0.00 0.03 0.00 0.00 46.19 42.99 1s0j s LEU 240 CO 0.07 0.03 -0.03 -0.63 0.23 0.00 0.00 176.35 176.02 1s0j s ILE 241 N -0.06 3.53 -0.22 -0.59 1.01 0.05 -1.03 121.20 123.89 1s0j s ILE 241 Ca 0.37 -0.44 -0.01 0.00 0.00 0.00 0.00 60.65 60.57 1s0j s ILE 241 Cb -0.20 -2.61 0.02 0.00 0.01 0.00 0.00 42.46 39.68 1s0j s ILE 241 CO 0.22 0.42 -0.10 -0.63 0.00 0.00 0.00 174.94 174.84 1s0j s ILE 242 N 1.40 2.65 -0.24 2.92 1.01 0.26 -1.80 121.20 127.39 1s0j s ILE 242 Ca 0.05 -0.96 -0.05 0.00 0.00 0.00 0.00 60.65 59.68 1s0j s ILE 242 Cb -0.14 -2.28 -0.01 0.00 0.01 0.00 0.00 42.46 40.04 1s0j s ILE 242 CO -0.02 0.32 0.02 0.21 0.00 0.00 0.00 174.94 175.47 1s0j s ASN 243 N 1.32 4.73 0.10 3.58 3.84 0.40 -0.84 114.94 128.08 1s0j s ASN 243 Ca 0.02 -0.39 0.08 0.00 0.21 0.00 0.00 52.86 52.77 1s0j s ASN 243 Cb -0.15 -1.83 -0.04 0.00 -0.55 0.00 0.00 41.25 38.68 1s0j s ASN 243 CO -0.07 -0.06 -0.13 0.42 -2.79 0.00 0.00 177.10 174.47 1s0j s THR 244 N 1.53 3.14 -0.05 -5.21 -4.23 -0.01 -1.35 115.64 109.46 1s0j s THR 244 Ca 0.05 -1.35 -0.30 0.00 -1.18 0.00 0.00 61.69 58.92 1s0j s THR 244 Cb -0.15 -2.45 -0.02 0.00 1.34 0.00 0.00 72.50 71.21 1s0j s THR 244 CO 0.00 0.12 1.01 -0.60 -0.54 0.00 0.00 174.62 174.62 1s0j s ARG 245 N -2.13 4.48 -0.24 3.99 3.52 -0.49 -3.56 118.95 124.52 1s0j s ARG 245 Ca 0.20 1.44 -0.00 0.00 -0.13 0.00 0.00 55.73 57.23 1s0j s ARG 245 Cb -0.11 -3.50 0.07 0.00 -1.56 0.00 0.00 34.95 29.85 1s0j s ARG 245 CO 0.12 -0.20 -0.00 0.08 -0.81 0.00 0.00 175.30 174.49 1s0j s VAL 246 N 1.51 1.17 0.33 7.11 1.01 -1.26 -0.44 120.40 129.82 1s0j s VAL 246 Ca 0.51 -1.09 -0.29 0.00 0.00 0.00 0.00 61.98 61.11 1s0j s VAL 246 Cb -0.20 -1.58 -0.10 0.00 0.00 0.00 0.00 36.38 34.49 1s0j s VAL 246 CO 0.23 -0.23 1.39 -1.81 0.00 0.00 0.00 175.10 174.68 1s0j s ASP 247 N 1.55 6.61 -1.53 3.32 -0.00 -1.26 -2.24 116.67 123.12 1s0j s ASP 247 Ca -0.02 2.80 0.00 0.00 -0.00 0.00 0.00 52.55 55.34 1s0j s ASP 247 Cb -0.18 -2.65 0.00 0.00 -0.00 0.00 0.00 42.92 40.09 1s0j s ASP 247 CO -0.09 -0.67 0.00 -1.22 -0.00 0.00 0.00 175.17 173.18 1s0j n TYR 248 N 0.98 0.00 -4.03 4.23 4.02 0.07 -4.91 117.16 117.53 1s0j n TYR 248 Ca 0.02 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.81 1s0j n TYR 248 Cb 0.41 -2.72 -0.06 0.00 -0.02 0.00 0.00 39.34 36.94 1s0j n TYR 248 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1s0j s ARG 249 N -3.16 1.44 0.46 -0.72 1.81 -0.95 -4.43 118.95 113.41 1s0j s ARG 249 Ca 0.00 -1.31 -0.23 0.00 -1.72 0.00 0.00 55.73 52.47 1s0j s ARG 249 Cb 0.00 0.43 -0.07 0.00 -0.45 0.00 0.00 34.95 34.85 1s0j s ARG 249 CO 0.00 -0.58 1.15 1.03 -0.68 0.00 0.00 175.30 176.22 1s0j s ARG 250 N -4.04 3.77 0.21 3.54 0.52 -1.26 -4.35 118.95 117.34 1s0j s ARG 250 Ca 0.25 1.72 -0.31 0.00 -0.52 0.00 0.00 55.73 56.87 1s0j s ARG 250 Cb 0.01 -2.38 -0.10 0.00 0.52 0.00 0.00 34.95 33.00 1s0j s ARG 250 CO 0.09 -0.53 1.53 1.03 0.02 0.00 0.00 175.30 177.44 1s0j s ARG 251 N -2.74 4.22 0.03 3.54 0.52 -0.26 -4.68 118.95 119.57 1s0j s ARG 251 Ca 0.64 2.38 -0.12 0.00 -0.52 0.00 0.00 55.73 58.11 1s0j s ARG 251 Cb -0.27 -3.12 -0.06 0.00 0.52 0.00 0.00 34.95 32.02 1s0j s ARG 251 CO 0.33 -0.55 0.39 -0.51 0.02 0.00 0.00 175.30 174.98 1s0j s LEU 252 N 0.40 4.41 -0.06 2.53 1.43 -1.23 -0.99 118.68 125.17 1s0j s LEU 252 Ca 0.66 0.86 0.03 0.00 -1.03 0.00 0.00 54.13 54.64 1s0j s LEU 252 Cb -0.44 -2.73 0.01 0.00 0.03 0.00 0.00 46.19 43.06 1s0j s LEU 252 CO 0.38 0.26 -0.15 -0.69 0.23 0.00 0.00 176.35 176.38 1s0j s VAL 253 N -1.22 1.29 0.26 -1.59 1.01 -1.26 -0.83 120.40 118.06 1s0j s VAL 253 Ca 0.27 -0.60 0.12 0.00 0.00 0.00 0.00 61.98 61.77 1s0j s VAL 253 Cb -0.15 -1.15 -0.05 0.00 0.00 0.00 0.00 36.38 35.03 1s0j s VAL 253 CO 0.15 0.39 -0.20 -0.31 0.00 0.00 0.00 175.10 175.13 1s0j s TYR 254 N 0.42 2.32 0.04 5.22 1.51 -0.02 -0.11 117.35 126.74 1s0j s TYR 254 Ca -0.11 -0.33 0.09 0.00 -1.01 0.00 0.00 57.07 55.71 1s0j s TYR 254 Cb -0.14 -1.04 -0.03 0.00 -0.11 0.00 0.00 41.96 40.64 1s0j s TYR 254 CO 0.04 0.66 -0.25 -1.21 -1.11 0.00 0.00 175.55 173.67 1s0j s GLU 255 N -3.30 1.75 -0.04 -0.62 2.02 0.36 -0.58 118.70 118.29 1s0j s GLU 255 Ca 0.28 -1.07 -0.01 0.00 0.02 0.00 0.00 54.97 54.19 1s0j s GLU 255 Cb -0.06 -1.89 0.03 0.00 0.10 0.00 0.00 34.13 32.31 1s0j s GLU 255 CO 0.14 0.49 0.07 0.45 0.02 0.00 0.00 175.26 176.43 1s0j s SER 256 N -1.18 0.38 0.00 -0.19 0.15 -0.20 -1.26 113.70 111.40 1s0j s SER 256 Ca 0.11 0.12 0.24 0.00 0.70 0.00 0.00 55.95 57.11 1s0j s SER 256 Cb -0.10 -0.02 0.15 0.00 -1.71 0.00 0.00 66.02 64.35 1s0j s SER 256 CO 0.02 -0.17 1.22 -1.20 1.20 0.00 0.00 173.24 174.31 1s0j n SER 257 N 4.58 2.82 -2.54 5.45 7.64 -1.26 -0.43 113.62 129.88 1s0j n SER 257 Ca -0.19 -1.91 -0.17 0.00 1.01 0.00 0.00 58.87 57.61 1s0j n SER 257 Cb 0.50 0.08 0.02 0.00 -1.01 0.00 0.00 64.21 63.80 1s0j n SER 257 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1s0j n ASP 258 N 1.11 3.13 -3.99 6.43 5.68 -1.26 -4.92 116.55 122.72 1s0j n ASP 258 Ca 0.13 -3.15 -0.31 0.00 -0.50 0.00 0.00 54.79 50.96 1s0j n ASP 258 Cb 0.57 -0.48 0.01 0.00 -1.14 0.00 0.00 41.12 40.09 1s0j n ASP 258 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 1s0j n MET 259 N -0.36 -4.82 -0.65 0.11 2.81 -1.26 -2.12 117.12 110.83 1s0j n MET 259 Ca 0.25 0.53 0.00 0.00 -1.81 0.00 0.00 57.70 56.67 1s0j n MET 259 Cb 0.77 -5.35 0.00 0.00 -0.71 0.00 0.00 33.22 27.93 1s0j n MET 259 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1s0j n GLY 260 N -1.62 0.78 0.18 3.03 0.00 -1.26 -4.15 105.19 102.15 1s0j n GLY 260 Ca 0.03 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.98 1s0j n GLY 260 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1s0j h ASN 261 N 0.00 0.40 -3.71 1.61 2.35 -1.73 0.13 115.58 114.63 1s0j h ASN 261 Ca 0.00 -0.23 -0.43 0.00 -0.55 0.00 0.00 56.30 55.09 1s0j h ASN 261 Cb 0.00 -0.12 -0.32 0.00 0.05 0.00 0.00 38.32 37.94 1s0j h ASN 261 CO 0.00 0.91 -0.79 0.28 -1.65 0.00 0.00 177.43 176.19 1s0j s THR 262 N -3.80 0.77 -0.10 2.81 -1.32 -1.26 -2.47 115.64 110.27 1s0j s THR 262 Ca -0.05 -0.33 0.03 0.00 -1.21 0.00 0.00 61.69 60.13 1s0j s THR 262 Cb 0.11 -0.71 -0.01 0.00 -1.51 0.00 0.00 72.50 70.39 1s0j s THR 262 CO 0.82 0.25 -0.18 0.26 -2.21 0.00 0.00 174.62 173.55 1s0j s TRP 263 N 0.37 2.66 -0.10 9.09 0.52 -1.26 -4.39 118.94 125.83 1s0j s TRP 263 Ca -0.06 -0.68 0.02 0.00 0.02 0.00 0.00 56.10 55.41 1s0j s TRP 263 Cb -0.10 -1.73 0.01 0.00 -1.15 0.00 0.00 33.47 30.50 1s0j s TRP 263 CO 0.01 -0.20 -0.17 -0.51 0.02 0.00 0.00 176.95 176.10 1s0j s LEU 264 N 0.07 1.83 0.30 2.99 1.43 -0.39 -4.95 118.68 119.96 1s0j s LEU 264 Ca -0.08 -0.44 -0.29 0.00 -1.03 0.00 0.00 54.13 52.28 1s0j s LEU 264 Cb -0.15 -1.14 -0.11 0.00 0.03 0.00 0.00 46.19 44.83 1s0j s LEU 264 CO 0.05 0.06 1.49 -0.70 0.23 0.00 0.00 176.35 177.48 1s0j s GLU 265 N 0.73 4.19 -1.54 1.70 2.12 -1.26 -0.48 118.70 124.16 1s0j s GLU 265 Ca -0.12 2.45 -0.09 0.00 0.36 0.00 0.00 54.97 57.58 1s0j s GLU 265 Cb -0.16 -3.04 -0.03 0.00 0.26 0.00 0.00 34.13 31.16 1s0j s GLU 265 CO 0.02 -0.49 2.79 0.00 -0.54 0.00 0.00 175.26 177.04 1s0j n ALA 266 N 1.66 7.34 0.27 6.30 0.00 0.85 -4.68 120.51 132.25 1s0j n ALA 266 Ca 0.05 -3.70 0.13 0.00 0.00 0.00 0.00 53.44 49.93 1s0j n ALA 266 Cb 0.39 -3.20 0.74 0.00 0.00 0.00 0.00 19.45 17.38 1s0j n ALA 266 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1s0j h VAL 267 N 2.89 0.49 -0.01 0.00 -1.51 -1.88 -1.04 116.25 115.19 1s0j h VAL 267 Ca 0.83 -0.53 0.00 0.00 -1.23 0.00 0.00 66.70 65.76 1s0j h VAL 267 Cb 0.29 1.36 0.00 0.00 -2.13 0.00 0.00 31.29 30.81 1s0j h VAL 267 CO 1.70 0.11 -0.08 0.61 -1.23 0.00 0.00 177.57 178.68 1s0j n GLY 268 N -0.62 -0.74 0.33 5.19 0.00 -1.26 -4.09 105.19 104.01 1s0j n GLY 268 Ca -0.02 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1s0j n GLY 268 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1s0j n THR 269 N -0.71 0.00 0.07 2.61 -2.24 -1.02 -4.76 114.28 108.23 1s0j n THR 269 Ca 0.17 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 62.00 1s0j n THR 269 Cb 0.27 -0.03 -0.07 0.00 -2.10 0.00 0.00 70.33 68.39 1s0j n THR 269 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1s0j n LEU 270 N -1.26 0.08 -4.76 3.22 4.77 -1.05 -4.72 117.00 113.28 1s0j n LEU 270 Ca 0.00 -0.09 -0.41 0.00 -0.03 0.00 0.00 56.01 55.49 1s0j n LEU 270 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1s0j n LEU 270 CO 0.00 0.02 0.97 -0.55 -1.33 0.00 0.00 177.39 176.50 1s0j s SER 271 N -2.92 6.86 0.00 -1.43 0.15 -0.42 -2.66 113.70 113.28 1s0j s SER 271 Ca -0.02 2.54 0.00 0.00 0.70 0.00 0.00 55.95 59.17 1s0j s SER 271 Cb 0.06 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 1s0j s SER 271 CO 0.41 -0.50 0.00 0.54 1.20 0.00 0.00 173.24 174.88 1s0j n ARG 272 N 1.58 -0.49 -0.07 5.44 1.74 -0.16 -4.84 116.66 119.86 1s0j n ARG 272 Ca 0.02 0.12 -0.12 0.00 -0.77 0.00 0.00 57.85 57.11 1s0j n ARG 272 Cb 0.42 -3.59 -0.05 0.00 -1.02 0.00 0.00 32.46 28.22 1s0j n ARG 272 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1s0j h VAL 273 N 0.00 1.28 -3.45 1.55 2.07 -1.70 -3.43 116.25 112.57 1s0j h VAL 273 Ca 0.00 -1.02 -0.60 0.00 0.82 0.00 0.00 66.70 65.90 1s0j h VAL 273 Cb 0.24 1.52 -0.11 0.00 -1.52 0.00 0.00 31.29 31.42 1s0j h VAL 273 CO 0.00 0.31 -0.26 0.26 0.02 0.00 0.00 177.57 177.91 1s0j s TRP 274 N -4.78 3.39 0.04 1.57 0.51 -1.26 -0.31 118.94 118.09 1s0j s TRP 274 Ca -0.14 0.58 0.03 0.00 -2.12 0.00 0.00 56.10 54.45 1s0j s TRP 274 Cb 0.07 -2.46 -0.04 0.00 -0.81 0.00 0.00 33.47 30.23 1s0j s TRP 274 CO 0.75 0.05 0.00 0.20 -0.51 0.00 0.00 176.95 177.44 1s0j s GLY 275 N 0.92 1.90 0.08 0.98 0.00 -0.99 -1.10 107.32 109.12 1s0j s GLY 275 Ca 0.17 -1.02 0.28 0.00 0.00 0.00 0.00 44.72 44.15 1s0j s GLY 275 CO 0.07 -0.94 1.87 -1.55 0.00 0.00 0.00 173.10 172.54 1s0j n PRO 276 N 0.99 0.10 -3.81 2.90 -0.04 -1.26 -4.86 135.00 129.02 1s0j n PRO 276 Ca -0.13 0.08 -0.08 0.00 -0.04 0.00 0.00 63.50 63.34 1s0j n PRO 276 Cb 0.52 -1.62 -0.02 0.00 -0.04 0.00 0.00 33.50 32.34 1s0j n PRO 276 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1s0j s SER 277 N -3.60 -0.30 0.33 3.54 1.04 -1.26 -4.41 113.70 109.05 1s0j s SER 277 Ca 0.13 -0.54 0.10 0.00 0.48 0.00 0.00 55.95 56.11 1s0j s SER 277 Cb 0.16 0.71 0.87 0.00 0.10 0.00 0.00 66.02 67.86 1s0j s SER 277 CO 0.56 -1.30 1.76 -0.65 0.98 0.00 0.00 173.24 174.59 1s0j h PRO 278 N 2.00 0.61 -0.56 4.02 0.11 -1.78 0.41 132.00 136.80 1s0j h PRO 278 Ca -0.21 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1s0j h PRO 278 Cb 1.26 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1s0j h PRO 278 CO 0.25 0.40 0.00 1.63 -0.21 0.00 0.00 178.00 180.07 1s0j n LYS 279 N -4.78 2.99 -3.95 1.05 4.76 -1.26 -4.22 118.16 112.75 1s0j n LYS 279 Ca 0.25 -2.52 -0.29 0.00 -2.87 0.00 0.00 58.31 52.88 1s0j n LYS 279 Cb 0.69 -1.55 0.01 0.00 -1.84 0.00 0.00 35.03 32.34 1s0j n LYS 279 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1s0j n SER 280 N 1.05 -3.23 -1.20 4.39 7.64 0.13 -4.86 113.62 117.54 1s0j n SER 280 Ca 0.20 -0.87 0.04 0.00 1.01 0.00 0.00 58.87 59.26 1s0j n SER 280 Cb 0.62 -3.56 0.06 0.00 -1.01 0.00 0.00 64.21 60.32 1s0j n SER 280 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1s0j n ASN 281 N -2.86 1.07 -4.33 6.43 6.94 -1.26 -3.32 115.26 117.92 1s0j n ASN 281 Ca -0.06 -2.38 -0.17 0.00 -0.02 0.00 0.00 54.58 51.95 1s0j n ASN 281 Cb 0.57 -0.34 -0.10 0.00 -2.36 0.00 0.00 39.78 37.55 1s0j n ASN 281 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 1s0j s GLN 282 N -0.67 1.39 0.62 -3.83 -1.52 -1.26 -4.76 119.66 109.64 1s0j s GLN 282 Ca 0.31 -1.74 -0.18 0.00 -1.95 0.00 0.00 55.36 51.81 1s0j s GLN 282 Cb 0.35 -0.45 -0.04 0.00 -0.22 0.00 0.00 33.01 32.65 1s0j s GLN 282 CO -0.13 -0.21 0.95 -2.30 -0.25 0.00 0.00 175.29 173.36 1s0j n PRO 283 N -0.46 0.83 0.00 2.91 -0.02 -1.26 -0.75 135.00 136.25 1s0j n PRO 283 Ca -0.02 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 1s0j n PRO 283 Cb 0.65 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 1s0j n PRO 283 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s0j n GLY 284 N 1.29 0.62 3.43 -1.23 0.00 -1.26 -4.77 105.19 103.27 1s0j n GLY 284 Ca 0.14 -1.82 -0.10 0.00 0.00 0.00 0.00 46.02 44.24 1s0j n GLY 284 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1s0j s SER 285 N -1.00 -0.10 0.54 1.61 0.15 -1.26 -5.02 113.70 108.61 1s0j s SER 285 Ca 0.00 -0.68 -0.19 0.00 0.70 0.00 0.00 55.95 55.78 1s0j s SER 285 Cb 0.00 0.50 -0.06 0.00 -1.71 0.00 0.00 66.02 64.75 1s0j s SER 285 CO 0.00 -0.97 1.10 -1.58 1.20 0.00 0.00 173.24 172.99 1s0j s GLN 286 N -3.92 3.45 -0.00 5.44 -0.44 -1.26 -4.68 119.66 118.25 1s0j s GLN 286 Ca 0.13 1.50 0.01 0.00 -2.50 0.00 0.00 55.36 54.50 1s0j s GLN 286 Cb 0.01 -2.03 -0.00 0.00 -1.64 0.00 0.00 33.01 29.35 1s0j s GLN 286 CO -0.02 -0.75 -0.04 -1.12 0.50 0.00 0.00 175.29 173.87 1s0j s SER 287 N -1.94 0.45 0.07 6.67 0.01 -1.26 -4.59 113.70 113.10 1s0j s SER 287 Ca 0.70 -0.08 -0.27 0.00 1.31 0.00 0.00 55.95 57.61 1s0j s SER 287 Cb -0.21 -0.05 -0.05 0.00 0.21 0.00 0.00 66.02 65.92 1s0j s SER 287 CO 0.26 0.04 0.86 -0.55 0.41 0.00 0.00 173.24 174.27 1s0j s SER 288 N -0.12 7.34 -0.23 2.44 0.15 -1.24 -4.88 113.70 117.16 1s0j s SER 288 Ca 0.01 1.60 -0.03 0.00 0.70 0.00 0.00 55.95 58.23 1s0j s SER 288 Cb -0.02 -2.52 0.11 0.00 -1.71 0.00 0.00 66.02 61.88 1s0j s SER 288 CO -0.00 -0.04 0.28 0.12 1.20 0.00 0.00 173.24 174.80 1s0j s PHE 289 N 0.07 -0.49 0.08 3.44 5.36 -1.25 -1.23 117.98 123.97 1s0j s PHE 289 Ca 0.43 0.40 0.02 0.00 -0.96 0.00 0.00 56.93 56.82 1s0j s PHE 289 Cb -0.22 -0.24 -0.04 0.00 -0.34 0.00 0.00 43.02 42.19 1s0j s PHE 289 CO 0.26 -0.67 -0.07 0.95 -1.46 0.00 0.00 175.22 174.22 1s0j s THR 290 N 2.41 0.69 -0.15 0.12 -4.23 -0.75 -4.62 115.64 109.10 1s0j s THR 290 Ca 0.09 -1.64 -0.03 0.00 -1.18 0.00 0.00 61.69 58.93 1s0j s THR 290 Cb -0.15 -1.32 -0.03 0.00 1.34 0.00 0.00 72.50 72.34 1s0j s THR 290 CO -0.15 -0.68 -0.04 0.00 -0.54 0.00 0.00 174.62 173.21 1s0j s ALA 291 N -2.79 2.99 0.20 3.99 0.00 -1.26 -1.09 121.76 123.81 1s0j s ALA 291 Ca 0.04 -0.82 -0.00 0.00 0.00 0.00 0.00 51.96 51.18 1s0j s ALA 291 Cb -0.00 -1.54 -0.04 0.00 0.00 0.00 0.00 23.12 21.53 1s0j s ALA 291 CO -0.03 0.23 0.11 0.14 0.00 0.00 0.00 175.76 176.21 1s0j s VAL 292 N 0.32 0.17 -0.21 0.00 -7.23 -0.41 -4.98 120.40 108.05 1s0j s VAL 292 Ca -0.04 -1.99 0.01 0.00 -1.81 0.00 0.00 61.98 58.15 1s0j s VAL 292 Cb -0.14 -2.45 0.03 0.00 0.56 0.00 0.00 36.38 34.38 1s0j s VAL 292 CO 0.03 -0.09 -0.15 -0.89 -0.31 0.00 0.00 175.10 173.69 1s0j s THR 293 N -4.03 2.29 -0.19 5.32 2.01 -1.26 -0.99 115.64 118.79 1s0j s THR 293 Ca 0.36 -1.04 0.01 0.00 0.31 0.00 0.00 61.69 61.33 1s0j s THR 293 Cb 0.07 -2.07 0.02 0.00 0.01 0.00 0.00 72.50 70.54 1s0j s THR 293 CO 0.11 0.38 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.61 1s0j s ILE 294 N 1.28 2.14 -1.56 1.82 1.01 -0.56 -4.67 121.20 120.65 1s0j s ILE 294 Ca 0.02 -1.00 -0.12 0.00 0.00 0.00 0.00 60.65 59.55 1s0j s ILE 294 Cb -0.15 -1.94 0.09 0.00 0.01 0.00 0.00 42.46 40.47 1s0j s ILE 294 CO -0.10 0.47 0.74 -0.62 0.00 0.00 0.00 174.94 175.43 1s0j n GLU 295 N 4.61 -3.88 -0.38 2.79 1.02 -1.26 -1.77 120.64 121.76 1s0j n GLU 295 Ca -0.20 0.45 0.00 0.00 -0.02 0.00 0.00 57.16 57.39 1s0j n GLU 295 Cb 0.49 -5.05 0.00 0.00 -0.02 0.00 0.00 31.44 26.86 1s0j n GLU 295 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1s0j n GLY 296 N -1.64 1.42 3.45 0.62 0.00 -1.26 -5.03 105.19 102.75 1s0j n GLY 296 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 1s0j n GLY 296 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1s0j s MET 297 N -0.30 3.57 0.04 1.61 0.00 -0.73 -5.08 119.30 118.41 1s0j s MET 297 Ca 0.00 -0.58 -0.30 0.00 0.00 0.00 0.00 55.69 54.81 1s0j s MET 297 Cb 0.00 -2.82 -0.05 0.00 0.00 0.00 0.00 34.83 31.96 1s0j s MET 297 CO 0.00 0.22 1.07 0.50 0.00 0.00 0.00 175.02 176.81 1s0j s ARG 298 N 0.39 4.52 0.26 4.11 6.06 -1.26 -1.49 118.95 131.54 1s0j s ARG 298 Ca -0.06 1.57 -0.04 0.00 -2.50 0.00 0.00 55.73 54.70 1s0j s ARG 298 Cb -0.15 -3.40 -0.02 0.00 0.06 0.00 0.00 34.95 31.44 1s0j s ARG 298 CO 0.04 -0.10 0.32 0.14 -2.50 0.00 0.00 175.30 173.20 1s0j s VAL 299 N 0.87 0.00 -0.03 7.11 -7.23 -0.16 -4.85 120.40 116.11 1s0j s VAL 299 Ca 0.54 -1.74 0.07 0.00 -1.81 0.00 0.00 61.98 59.04 1s0j s VAL 299 Cb -0.25 -2.44 -0.02 0.00 0.56 0.00 0.00 36.38 34.23 1s0j s VAL 299 CO 0.29 0.00 -0.22 -0.04 -0.31 0.00 0.00 175.10 174.82 1s0j s MET 300 N -3.82 2.23 -0.10 4.82 1.00 0.56 -1.29 119.30 122.71 1s0j s MET 300 Ca 0.32 -0.86 -0.01 0.00 0.00 0.00 0.00 55.69 55.15 1s0j s MET 300 Cb 0.03 -2.15 -0.03 0.00 0.00 0.00 0.00 34.83 32.68 1s0j s MET 300 CO 0.14 0.58 -0.05 -0.51 0.00 0.00 0.00 175.02 175.18 1s0j s LEU 301 N -0.66 3.22 -0.01 -0.03 1.43 -0.25 -1.68 118.68 120.70 1s0j s LEU 301 Ca 0.11 -0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.16 1s0j s LEU 301 Cb -0.10 -1.73 0.01 0.00 0.03 0.00 0.00 46.19 44.40 1s0j s LEU 301 CO -0.00 0.30 0.00 0.12 0.23 0.00 0.00 176.35 177.00 1s0j s PHE 302 N -0.44 0.11 0.11 0.29 5.36 -0.40 -1.80 117.98 121.20 1s0j s PHE 302 Ca 0.07 0.03 0.09 0.00 -0.96 0.00 0.00 56.93 56.16 1s0j s PHE 302 Cb -0.12 -0.16 -0.04 0.00 -0.34 0.00 0.00 43.02 42.36 1s0j s PHE 302 CO 0.02 -0.05 -0.23 0.95 -1.46 0.00 0.00 175.22 174.45 1s0j s THR 303 N 0.45 1.92 -0.18 0.12 -4.23 -0.36 -0.26 115.64 113.10 1s0j s THR 303 Ca -0.04 -1.60 -0.28 0.00 -1.18 0.00 0.00 61.69 58.59 1s0j s THR 303 Cb -0.06 -1.72 0.10 0.00 1.34 0.00 0.00 72.50 72.16 1s0j s THR 303 CO -0.01 0.02 0.86 -2.28 -0.54 0.00 0.00 174.62 172.67 1s0j s HIS 304 N -1.10 -0.55 0.59 3.99 5.04 -0.72 -3.63 115.29 118.91 1s0j s HIS 304 Ca 0.09 1.14 -0.16 0.00 -1.54 0.00 0.00 55.06 54.59 1s0j s HIS 304 Cb -0.10 0.38 -0.04 0.00 0.04 0.00 0.00 32.58 32.87 1s0j s HIS 304 CO 0.05 -0.40 1.07 -1.25 -2.34 0.00 0.00 174.74 171.87 1s0j s PRO 305 N -0.54 3.26 0.17 2.88 0.04 -1.26 -1.33 135.00 138.22 1s0j s PRO 305 Ca -0.03 1.29 0.13 0.00 0.04 0.00 0.00 61.00 62.43 1s0j s PRO 305 Cb -0.02 -2.02 -0.07 0.00 0.04 0.00 0.00 34.50 32.43 1s0j s PRO 305 CO 0.02 -0.87 1.22 -0.07 0.04 0.00 0.00 177.00 177.34 1s0j h LEU 306 N 0.52 0.00 -1.40 -3.56 3.38 -0.08 -3.45 115.31 110.72 1s0j h LEU 306 Ca -0.47 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.14 1s0j h LEU 306 Cb 1.23 0.00 0.16 0.00 0.09 0.00 0.00 40.66 42.13 1s0j h LEU 306 CO 0.57 0.68 -0.74 -3.20 0.09 0.00 0.00 178.44 175.84 1s0j n ASN 307 N -3.18 -3.42 0.17 -0.43 5.15 -0.09 -4.01 115.26 109.46 1s0j n ASN 307 Ca -0.02 -0.60 0.04 0.00 -0.60 0.00 0.00 54.58 53.40 1s0j n ASN 307 Cb 0.83 -5.07 0.47 0.00 -0.53 0.00 0.00 39.78 35.49 1s0j n ASN 307 CO 0.00 0.00 0.00 -0.26 1.40 0.00 0.00 177.26 178.40 1s0j h PHE 308 N -2.16 0.14 0.00 1.20 0.05 -1.91 -2.86 116.94 111.40 1s0j h PHE 308 Ca -0.58 -0.01 -0.13 0.00 3.82 0.00 0.00 57.97 61.07 1s0j h PHE 308 Cb 1.35 -0.04 -0.02 0.00 2.00 0.00 0.00 35.95 39.24 1s0j h PHE 308 CO 0.46 0.24 -0.61 0.87 -0.18 0.00 0.00 178.31 179.09 1s0j h LYS 309 N 0.14 0.00 0.00 1.51 1.57 -1.92 -3.48 116.57 114.39 1s0j h LYS 309 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1s0j h LYS 309 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1s0j h LYS 309 CO 0.01 0.61 0.00 0.41 -0.57 0.00 0.00 179.45 179.92 1s0j n GLY 310 N 0.41 -0.19 7.00 3.86 0.00 -1.08 -4.96 105.19 110.23 1s0j n GLY 310 Ca -0.01 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.14 1s0j n GLY 310 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s0j n ARG 311 N -0.27 0.00 -0.27 1.61 1.74 -1.26 -2.23 116.66 115.97 1s0j n ARG 311 Ca 0.00 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.18 1s0j n ARG 311 Cb 0.00 0.00 0.25 0.00 -1.02 0.00 0.00 32.46 31.69 1s0j n ARG 311 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 1s0j n TRP 312 N 14.00 0.72 -0.09 -1.55 8.01 -1.26 -4.05 117.44 133.22 1s0j n TRP 312 Ca 0.00 -0.42 -0.08 0.00 -1.31 0.00 0.00 57.50 55.69 1s0j n TRP 312 Cb 0.00 -0.01 -0.01 0.00 -2.01 0.00 0.00 31.31 29.29 1s0j n TRP 312 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.69 176.61 1s0j h LEU 313 N 3.84 0.32 -1.92 -0.99 3.38 -1.82 -3.47 115.31 114.65 1s0j h LEU 313 Ca 0.00 -0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.62 1s0j h LEU 313 Cb 0.92 -0.07 0.13 0.00 0.09 0.00 0.00 40.66 41.74 1s0j h LEU 313 CO 0.00 0.23 -0.81 0.54 0.09 0.00 0.00 178.44 178.49 1s0j n ARG 314 N -4.90 -5.02 -1.17 1.13 1.74 -1.26 -3.89 116.66 103.28 1s0j n ARG 314 Ca -0.01 0.75 -0.29 0.00 -0.77 0.00 0.00 57.85 57.54 1s0j n ARG 314 Cb 0.05 -5.53 0.16 0.00 -1.02 0.00 0.00 32.46 26.11 1s0j n ARG 314 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 1s0j s ASP 315 N -4.15 2.92 -0.54 0.55 1.47 -1.26 -1.22 116.67 114.44 1s0j s ASP 315 Ca 0.10 1.31 -0.02 0.00 1.18 0.00 0.00 52.55 55.13 1s0j s ASP 315 Cb -0.02 -1.98 -0.02 0.00 -0.34 0.00 0.00 42.92 40.56 1s0j s ASP 315 CO 0.77 -2.96 0.49 0.54 0.68 0.00 0.00 175.17 174.68 1s0j n ARG 316 N -4.08 -1.07 -1.74 2.11 1.74 -1.22 -0.91 116.66 111.49 1s0j n ARG 316 Ca 0.06 0.80 -0.42 0.00 -0.77 0.00 0.00 57.85 57.52 1s0j n ARG 316 Cb 0.56 -4.07 -0.03 0.00 -1.02 0.00 0.00 32.46 27.90 1s0j n ARG 316 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1s0j s LEU 317 N -3.83 4.41 0.10 0.55 2.96 -1.26 -0.94 118.68 120.66 1s0j s LEU 317 Ca 0.14 2.66 0.10 0.00 -0.22 0.00 0.00 54.13 56.82 1s0j s LEU 317 Cb -0.02 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.09 1s0j s LEU 317 CO 0.44 -1.01 -0.26 0.20 -1.32 0.00 0.00 176.35 174.40 1s0j s ASN 318 N 3.48 3.28 -0.10 3.68 -0.87 -0.44 -0.22 114.94 123.76 1s0j s ASN 318 Ca 0.83 -0.68 -0.00 0.00 -1.57 0.00 0.00 52.86 51.43 1s0j s ASN 318 Cb -0.43 -0.26 -0.03 0.00 -0.02 0.00 0.00 41.25 40.51 1s0j s ASN 318 CO 0.38 0.21 -0.07 -0.22 -2.57 0.00 0.00 177.10 174.83 1s0j s LEU 319 N -1.75 3.13 0.10 0.60 2.96 -0.07 -1.76 118.68 121.89 1s0j s LEU 319 Ca 0.13 -0.09 0.08 0.00 -0.22 0.00 0.00 54.13 54.03 1s0j s LEU 319 Cb -0.10 -1.70 -0.03 0.00 0.50 0.00 0.00 46.19 44.85 1s0j s LEU 319 CO 0.05 0.29 -0.19 0.26 -1.32 0.00 0.00 176.35 175.43 1s0j s TRP 320 N -0.35 1.66 -0.07 5.38 0.52 0.64 -0.63 118.94 126.11 1s0j s TRP 320 Ca 0.05 -0.43 0.03 0.00 0.02 0.00 0.00 56.10 55.76 1s0j s TRP 320 Cb -0.12 -0.91 0.01 0.00 -1.15 0.00 0.00 33.47 31.30 1s0j s TRP 320 CO 0.02 0.18 -0.15 -1.17 0.02 0.00 0.00 176.95 175.86 1s0j s LEU 321 N -1.93 1.75 -0.02 2.99 2.96 0.31 -1.27 118.68 123.47 1s0j s LEU 321 Ca 0.05 -0.34 -0.06 0.00 -0.22 0.00 0.00 54.13 53.56 1s0j s LEU 321 Cb -0.10 -0.93 0.01 0.00 0.50 0.00 0.00 46.19 45.67 1s0j s LEU 321 CO 0.04 0.07 0.13 0.28 -1.32 0.00 0.00 176.35 175.54 1s0j s THR 322 N 0.54 0.05 -0.34 3.68 -1.32 -0.68 0.14 115.64 117.72 1s0j s THR 322 Ca -0.14 -0.43 0.09 0.00 -1.21 0.00 0.00 61.69 60.00 1s0j s THR 322 Cb -0.16 -0.33 0.68 0.00 -1.51 0.00 0.00 72.50 71.19 1s0j s THR 322 CO 0.04 -0.23 1.76 -0.90 -2.21 0.00 0.00 174.62 173.08 1s0j n ASP 323 N 2.09 4.20 -0.40 8.08 3.85 -1.17 -0.32 116.55 132.88 1s0j n ASP 323 Ca -0.19 -3.38 -0.05 0.00 -0.71 0.00 0.00 54.79 50.46 1s0j n ASP 323 Cb 0.57 -0.74 -0.02 0.00 -1.35 0.00 0.00 41.12 39.58 1s0j n ASP 323 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 1s0j n ASN 324 N -0.55 -4.50 0.04 -1.12 4.05 -1.26 -4.76 115.26 107.15 1s0j n ASN 324 Ca 0.43 0.13 0.00 0.00 0.45 0.00 0.00 54.58 55.59 1s0j n ASN 324 Cb 1.38 -2.46 0.00 0.00 1.23 0.00 0.00 39.78 39.93 1s0j n ASN 324 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1s0j n GLN 325 N -1.69 0.00 -3.41 1.20 6.02 -1.26 -4.89 117.38 113.34 1s0j n GLN 325 Ca -0.05 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.62 1s0j n GLN 325 Cb 0.32 -0.05 -0.05 0.00 1.02 0.00 0.00 30.24 31.48 1s0j n GLN 325 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1s0j s ARG 326 N -1.31 3.78 -0.20 -1.09 3.00 -1.26 -4.85 118.95 117.02 1s0j s ARG 326 Ca 0.00 0.24 -0.03 0.00 0.00 0.00 0.00 55.73 55.94 1s0j s ARG 326 Cb 0.00 -2.65 0.06 0.00 0.00 0.00 0.00 34.95 32.36 1s0j s ARG 326 CO 0.00 0.31 0.04 0.42 0.00 0.00 0.00 175.30 176.07 1s0j s ILE 327 N -1.84 0.48 -0.15 1.52 1.01 -1.26 -3.07 121.20 117.89 1s0j s ILE 327 Ca 0.47 -0.56 -0.05 0.00 0.00 0.00 0.00 60.65 60.51 1s0j s ILE 327 Cb -0.11 -1.02 -0.03 0.00 0.01 0.00 0.00 42.46 41.31 1s0j s ILE 327 CO 0.22 -0.24 0.00 -0.47 0.00 0.00 0.00 174.94 174.46 1s0j s TYR 328 N 1.87 3.13 -0.55 3.97 5.04 0.12 -4.82 117.35 126.12 1s0j s TYR 328 Ca -0.00 -0.08 -0.24 0.00 -2.44 0.00 0.00 57.07 54.31 1s0j s TYR 328 Cb -0.17 -1.97 0.04 0.00 0.35 0.00 0.00 41.96 40.21 1s0j s TYR 328 CO -0.09 0.12 0.91 1.21 -1.34 0.00 0.00 175.55 176.36 1s0j s ASN 329 N 0.15 6.32 0.17 4.32 2.47 -1.26 -0.53 114.94 126.58 1s0j s ASN 329 Ca 0.01 -0.42 -0.12 0.00 0.42 0.00 0.00 52.86 52.75 1s0j s ASN 329 Cb -0.13 -2.42 0.06 0.00 -1.45 0.00 0.00 41.25 37.31 1s0j s ASN 329 CO 0.02 -1.20 1.68 0.58 -3.72 0.00 0.00 177.10 174.46 1s0j h VAL 330 N 6.00 1.25 0.00 -5.21 2.07 -1.22 -3.49 116.25 115.65 1s0j h VAL 330 Ca -0.26 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.36 1s0j h VAL 330 Cb 1.08 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 1s0j h VAL 330 CO 1.08 0.33 0.00 0.61 0.02 0.00 0.00 177.57 179.61 1s0j n GLY 331 N -0.63 0.86 3.69 2.17 0.00 -1.11 -4.98 105.19 105.20 1s0j n GLY 331 Ca 0.03 -1.98 -0.40 0.00 0.00 0.00 0.00 46.02 43.67 1s0j n GLY 331 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1s0j s GLN 332 N -1.61 4.35 -0.11 1.61 0.74 -1.26 -0.89 119.66 122.48 1s0j s GLN 332 Ca 0.00 0.85 -0.04 0.00 0.05 0.00 0.00 55.36 56.22 1s0j s GLN 332 Cb 0.00 -3.51 -0.26 0.00 1.10 0.00 0.00 33.01 30.34 1s0j s GLN 332 CO 0.00 -0.11 0.40 0.28 -0.55 0.00 0.00 175.29 175.32 1s0j n VAL 333 N 4.23 1.76 -1.26 1.34 0.31 0.70 -1.94 118.33 123.47 1s0j n VAL 333 Ca 0.00 -0.68 -0.30 0.00 -0.01 0.00 0.00 64.34 63.36 1s0j n VAL 333 Cb 0.50 -1.64 0.21 0.00 -0.91 0.00 0.00 33.84 32.00 1s0j n VAL 333 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1s0j s SER 334 N -6.91 1.84 -0.14 4.52 1.04 -1.21 -3.40 113.70 109.45 1s0j s SER 334 Ca -0.20 0.74 -0.00 0.00 0.48 0.00 0.00 55.95 56.96 1s0j s SER 334 Cb 0.07 -1.08 -0.02 0.00 0.10 0.00 0.00 66.02 65.09 1s0j s SER 334 CO 0.78 -3.56 -0.12 -0.63 0.98 0.00 0.00 173.24 170.68 1s0j s ILE 335 N -3.14 3.11 0.00 -1.02 1.01 -1.26 -2.11 121.20 117.78 1s0j s ILE 335 Ca 0.69 -0.64 0.00 0.00 0.00 0.00 0.00 60.65 60.70 1s0j s ILE 335 Cb -0.11 -2.31 0.00 0.00 0.01 0.00 0.00 42.46 40.04 1s0j s ILE 335 CO 0.56 0.52 0.00 0.61 0.00 0.00 0.00 174.94 176.63 1s0j n GLY 336 N 3.58 2.92 1.76 6.18 0.00 -1.26 -2.49 105.19 115.88 1s0j n GLY 336 Ca -0.18 -0.22 -0.04 0.00 0.00 0.00 0.00 46.02 45.58 1s0j n GLY 336 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1s0j n ASP 337 N 1.93 4.44 -4.74 1.61 5.75 -1.26 -4.68 116.55 119.59 1s0j n ASP 337 Ca 0.00 -3.27 -0.35 0.00 -0.01 0.00 0.00 54.79 51.16 1s0j n ASP 337 Cb 0.00 -0.71 0.05 0.00 -1.03 0.00 0.00 41.12 39.43 1s0j n ASP 337 CO 0.00 0.00 0.00 -1.83 -0.11 0.00 0.00 177.20 175.26 1s0j s GLU 338 N -3.01 2.71 0.04 0.11 -1.05 -1.04 -4.79 118.70 111.67 1s0j s GLU 338 Ca 0.52 1.80 -0.30 0.00 -0.15 0.00 0.00 54.97 56.85 1s0j s GLU 338 Cb 0.42 -1.90 -0.04 0.00 -0.44 0.00 0.00 34.13 32.17 1s0j s GLU 338 CO 0.11 -1.40 1.01 -0.80 0.95 0.00 0.00 175.26 175.13 1s0j s ASN 339 N -1.75 7.35 -0.50 0.83 0.01 -1.26 -3.38 114.94 116.24 1s0j s ASN 339 Ca 0.76 1.76 0.07 0.00 -0.71 0.00 0.00 52.86 54.75 1s0j s ASN 339 Cb -0.30 -2.58 0.19 0.00 0.41 0.00 0.00 41.25 38.97 1s0j s ASN 339 CO 0.37 -0.24 0.70 -0.94 -1.51 0.00 0.00 177.10 175.48 1s0j s SER 340 N 0.74 -1.35 0.00 -1.22 1.04 -0.36 -1.24 113.70 111.31 1s0j s SER 340 Ca 0.52 -1.64 0.00 0.00 0.48 0.00 0.00 55.95 55.31 1s0j s SER 340 Cb -0.23 1.83 0.00 0.00 0.10 0.00 0.00 66.02 67.71 1s0j s SER 340 CO 0.29 -0.07 0.00 0.00 0.98 0.00 0.00 173.24 174.44 1s0j n ALA 341 N 3.17 0.00 -2.33 5.32 0.00 -1.21 -4.06 120.51 121.41 1s0j n ALA 341 Ca 0.17 -0.05 -0.31 0.00 0.00 0.00 0.00 53.44 53.25 1s0j n ALA 341 Cb 0.56 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.97 1s0j n ALA 341 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1s0j s TYR 342 N -0.98 3.44 0.20 0.00 1.51 -1.26 -4.42 117.35 115.84 1s0j s TYR 342 Ca 0.00 0.92 -0.18 0.00 -1.01 0.00 0.00 57.07 56.80 1s0j s TYR 342 Cb 0.00 -2.32 0.03 0.00 -0.11 0.00 0.00 41.96 39.56 1s0j s TYR 342 CO 0.00 0.10 0.55 -1.54 -1.11 0.00 0.00 175.55 173.55 1s0j s SER 343 N -2.78 -0.29 -0.18 2.29 1.04 -1.26 -1.31 113.70 111.19 1s0j s SER 343 Ca 0.49 -0.44 -0.07 0.00 0.48 0.00 0.00 55.95 56.41 1s0j s SER 343 Cb -0.11 0.59 0.08 0.00 0.10 0.00 0.00 66.02 66.69 1s0j s SER 343 CO 0.26 -1.07 0.39 -0.55 0.98 0.00 0.00 173.24 173.25 1s0j s SER 344 N -2.86 -0.16 -0.17 7.02 0.15 -0.11 -3.90 113.70 113.67 1s0j s SER 344 Ca 0.08 0.90 -0.07 0.00 0.70 0.00 0.00 55.95 57.57 1s0j s SER 344 Cb -0.01 1.16 -0.04 0.00 -1.71 0.00 0.00 66.02 65.42 1s0j s SER 344 CO -0.03 -0.23 0.07 -0.69 1.20 0.00 0.00 173.24 173.56 1s0j s VAL 345 N 2.45 4.87 -0.07 4.45 1.01 -1.26 -0.63 120.40 131.22 1s0j s VAL 345 Ca -0.02 -0.01 0.04 0.00 0.00 0.00 0.00 61.98 61.99 1s0j s VAL 345 Cb -0.12 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.09 1s0j s VAL 345 CO -0.12 0.49 -0.19 -0.22 0.00 0.00 0.00 175.10 175.06 1s0j s LEU 346 N 0.07 1.92 -0.24 3.92 2.96 -0.05 -4.96 118.68 122.29 1s0j s LEU 346 Ca 0.06 -0.42 -0.03 0.00 -0.22 0.00 0.00 54.13 53.52 1s0j s LEU 346 Cb -0.12 -1.12 0.01 0.00 0.50 0.00 0.00 46.19 45.46 1s0j s LEU 346 CO 0.01 0.14 -0.05 -0.47 -1.32 0.00 0.00 176.35 174.66 1s0j s TYR 347 N 0.27 3.02 -0.06 5.38 5.04 -1.26 -0.71 117.35 129.02 1s0j s TYR 347 Ca -0.11 -1.27 -0.03 0.00 -2.44 0.00 0.00 57.07 53.22 1s0j s TYR 347 Cb -0.15 -2.09 0.04 0.00 0.35 0.00 0.00 41.96 40.11 1s0j s TYR 347 CO 0.05 -0.65 0.13 0.21 -1.34 0.00 0.00 175.55 173.95 1s0j s LYS 348 N 1.40 0.04 -1.44 4.97 2.20 -0.26 -4.89 119.74 121.75 1s0j s LYS 348 Ca 0.03 0.42 -0.01 0.00 -0.36 0.00 0.00 55.97 56.05 1s0j s LYS 348 Cb -0.16 -0.26 0.01 0.00 -1.51 0.00 0.00 37.83 35.92 1s0j s LYS 348 CO -0.04 -0.24 0.40 -0.25 -0.36 0.00 0.00 175.35 174.87 1s0j n ASP 349 N 4.74 -0.40 -2.93 1.43 8.00 -1.26 -1.21 116.55 124.93 1s0j n ASP 349 Ca -0.16 -1.03 -0.21 0.00 0.71 0.00 0.00 54.79 54.10 1s0j n ASP 349 Cb 0.51 -2.90 0.01 0.00 -0.02 0.00 0.00 41.12 38.71 1s0j n ASP 349 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1s0j n ASP 350 N -2.96 -5.06 -4.15 -2.24 4.64 -1.26 -4.99 116.55 100.53 1s0j n ASP 350 Ca -0.29 -0.19 -0.19 0.00 -1.38 0.00 0.00 54.79 52.74 1s0j n ASP 350 Cb 0.67 -4.16 -0.13 0.00 -1.04 0.00 0.00 41.12 36.47 1s0j n ASP 350 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 1s0j s LYS 351 N -5.58 0.86 -0.08 -0.67 -0.14 -0.35 -5.15 119.74 108.63 1s0j s LYS 351 Ca 0.23 -0.86 0.02 0.00 -1.36 0.00 0.00 55.97 54.00 1s0j s LYS 351 Cb -0.11 -0.86 -0.02 0.00 -1.68 0.00 0.00 37.83 35.15 1s0j s LYS 351 CO 0.29 0.20 -0.13 -1.17 -0.76 0.00 0.00 175.35 173.78 1s0j s LEU 352 N -1.46 2.78 0.08 3.17 2.96 -1.26 -1.11 118.68 123.83 1s0j s LEU 352 Ca -0.01 -0.23 0.02 0.00 -0.22 0.00 0.00 54.13 53.70 1s0j s LEU 352 Cb -0.09 -1.59 -0.03 0.00 0.50 0.00 0.00 46.19 44.97 1s0j s LEU 352 CO 0.02 0.28 -0.07 -0.31 -1.32 0.00 0.00 176.35 174.94 1s0j s TYR 353 N -0.32 0.82 -0.02 5.38 1.51 0.11 -0.64 117.35 124.20 1s0j s TYR 353 Ca 0.03 -0.72 0.00 0.00 -1.01 0.00 0.00 57.07 55.37 1s0j s TYR 353 Cb -0.13 -0.48 0.02 0.00 -0.11 0.00 0.00 41.96 41.27 1s0j s TYR 353 CO 0.03 -0.11 0.02 0.00 -1.11 0.00 0.00 175.55 174.38 1s0j s LEU 355 N 0.79 3.37 0.10 0.00 2.96 0.19 -0.32 118.68 125.78 1s0j s LEU 355 Ca -0.07 -0.33 -0.07 0.00 -0.22 0.00 0.00 54.13 53.44 1s0j s LEU 355 Cb -0.10 -1.87 -0.01 0.00 0.50 0.00 0.00 46.19 44.71 1s0j s LEU 355 CO -0.02 -0.06 0.17 -1.38 -1.32 0.00 0.00 176.35 173.74 1s0j s HIS 356 N 1.56 0.29 0.43 5.38 -3.43 -0.67 -0.93 115.29 117.92 1s0j s HIS 356 Ca 0.06 -0.73 -0.22 0.00 -0.80 0.00 0.00 55.06 53.37 1s0j s HIS 356 Cb -0.15 -0.13 -0.09 0.00 -1.43 0.00 0.00 32.58 30.77 1s0j s HIS 356 CO 0.02 -0.55 1.02 -1.21 -2.00 0.00 0.00 174.74 172.01 1s0j s GLU 357 N -3.90 4.10 -0.03 -0.38 2.02 -0.43 -0.79 118.70 119.28 1s0j s GLU 357 Ca 0.09 1.37 0.04 0.00 0.02 0.00 0.00 54.97 56.49 1s0j s GLU 357 Cb 0.05 -2.35 -0.01 0.00 0.10 0.00 0.00 34.13 31.93 1s0j s GLU 357 CO -0.08 -0.18 -0.15 0.96 0.02 0.00 0.00 175.26 175.83 1s0j s ILE 358 N -1.86 1.24 -0.15 -1.63 -4.36 -0.40 -4.20 121.20 109.84 1s0j s ILE 358 Ca 0.61 -0.64 -0.00 0.00 -0.26 0.00 0.00 60.65 60.36 1s0j s ILE 358 Cb -0.17 -1.06 0.04 0.00 1.25 0.00 0.00 42.46 42.52 1s0j s ILE 358 CO 0.22 0.36 -0.06 0.21 0.24 0.00 0.00 174.94 175.91 1s0j s ASN 359 N -0.12 2.68 -0.15 4.36 3.04 -0.37 -1.46 114.94 122.92 1s0j s ASN 359 Ca 0.01 -0.58 0.02 0.00 0.04 0.00 0.00 52.86 52.35 1s0j s ASN 359 Cb -0.09 -0.90 0.01 0.00 -1.54 0.00 0.00 41.25 38.74 1s0j s ASN 359 CO 0.01 -0.17 -0.21 -0.44 -3.04 0.00 0.00 177.10 173.25 1s0j s SER 360 N 1.65 3.06 -1.46 -4.21 0.01 -0.82 -4.07 113.70 107.86 1s0j s SER 360 Ca 0.02 -0.61 -0.10 0.00 1.31 0.00 0.00 55.95 56.57 1s0j s SER 360 Cb -0.15 -1.43 0.05 0.00 0.21 0.00 0.00 66.02 64.71 1s0j s SER 360 CO -0.08 0.04 0.77 0.59 0.41 0.00 0.00 173.24 174.98 1s0j n ASN 361 N 4.30 -5.04 -1.82 2.44 3.02 -1.26 -1.41 115.26 115.49 1s0j n ASN 361 Ca -0.20 -0.52 -0.16 0.00 -0.03 0.00 0.00 54.58 53.67 1s0j n ASN 361 Cb 0.51 -4.06 -0.01 0.00 -0.61 0.00 0.00 39.78 35.61 1s0j n ASN 361 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1s0j n GLU 362 N -4.29 -1.42 -4.48 3.52 -0.58 -1.26 -5.00 120.64 107.13 1s0j n GLU 362 Ca -0.02 0.75 -0.33 0.00 -0.42 0.00 0.00 57.16 57.15 1s0j n GLU 362 Cb 0.56 -5.13 -0.16 0.00 -0.57 0.00 0.00 31.44 26.14 1s0j n GLU 362 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1s0j s VAL 363 N -2.80 2.13 -0.09 2.62 1.01 -0.50 -4.35 120.40 118.43 1s0j s VAL 363 Ca 0.02 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.07 1s0j s VAL 363 Cb -0.01 -1.87 -0.02 0.00 0.00 0.00 0.00 36.38 34.49 1s0j s VAL 363 CO 0.02 0.54 -0.14 -0.31 0.00 0.00 0.00 175.10 175.21 1s0j s TYR 364 N 0.97 2.74 0.37 5.22 1.51 -1.26 -1.95 117.35 124.94 1s0j s TYR 364 Ca -0.03 -0.41 0.08 0.00 -1.01 0.00 0.00 57.07 55.70 1s0j s TYR 364 Cb -0.15 -1.72 -0.05 0.00 -0.11 0.00 0.00 41.96 39.93 1s0j s TYR 364 CO -0.05 -0.01 0.13 -1.12 -1.11 0.00 0.00 175.55 173.39 1s0j s SER 365 N -0.22 4.49 -0.17 2.29 0.01 -0.53 -1.12 113.70 118.45 1s0j s SER 365 Ca 0.01 -0.92 -0.02 0.00 1.31 0.00 0.00 55.95 56.32 1s0j s SER 365 Cb -0.13 -0.60 -0.01 0.00 0.21 0.00 0.00 66.02 65.49 1s0j s SER 365 CO 0.03 -0.37 -0.10 -0.76 0.41 0.00 0.00 173.24 172.45 1s0j s LEU 366 N -3.84 2.75 0.12 2.44 1.43 -0.42 -1.27 118.68 119.89 1s0j s LEU 366 Ca 0.38 -0.38 -0.04 0.00 -1.03 0.00 0.00 54.13 53.07 1s0j s LEU 366 Cb 0.00 -1.66 -0.05 0.00 0.03 0.00 0.00 46.19 44.51 1s0j s LEU 366 CO 0.22 0.07 0.34 0.68 0.23 0.00 0.00 176.35 177.89 1s0j s VAL 367 N 0.91 5.21 -0.28 -1.59 -7.23 0.03 -1.12 120.40 116.33 1s0j s VAL 367 Ca -0.02 -0.06 -0.02 0.00 -1.81 0.00 0.00 61.98 60.08 1s0j s VAL 367 Cb -0.15 -3.62 0.04 0.00 0.56 0.00 0.00 36.38 33.21 1s0j s VAL 367 CO -0.00 0.06 -0.02 0.12 -0.31 0.00 0.00 175.10 174.95 1s0j s PHE 368 N -1.63 3.19 -0.10 2.82 5.36 0.05 -1.67 117.98 126.00 1s0j s PHE 368 Ca 0.40 -1.76 -0.02 0.00 -0.96 0.00 0.00 56.93 54.59 1s0j s PHE 368 Cb -0.12 -2.09 -0.03 0.00 -0.34 0.00 0.00 43.02 40.44 1s0j s PHE 368 CO 0.25 -0.78 -0.00 0.00 -1.46 0.00 0.00 175.22 173.23 1s0j s ALA 369 N 1.28 3.24 -0.46 11.12 0.00 0.57 -1.67 121.76 135.83 1s0j s ALA 369 Ca -0.03 -0.81 -0.18 0.00 0.00 0.00 0.00 51.96 50.94 1s0j s ALA 369 Cb -0.19 -1.51 0.04 0.00 0.00 0.00 0.00 23.12 21.46 1s0j s ALA 369 CO -0.02 0.50 0.51 1.03 0.00 0.00 0.00 175.76 177.77 1s0j s ARG 370 N -0.59 3.09 -1.39 0.00 0.52 0.48 -1.04 118.95 120.02 1s0j s ARG 370 Ca 0.10 -0.90 -0.07 0.00 -0.52 0.00 0.00 55.73 54.35 1s0j s ARG 370 Cb -0.12 -4.04 0.07 0.00 0.52 0.00 0.00 34.95 31.38 1s0j s ARG 370 CO 0.02 -1.02 2.51 1.28 0.02 0.00 0.00 175.30 178.11 1s0j n LEU 371 N 5.76 8.20 0.06 2.53 4.77 0.19 -2.49 117.00 136.02 1s0j n LEU 371 Ca -0.08 -4.76 -0.13 0.00 -0.03 0.00 0.00 56.01 51.01 1s0j n LEU 371 Cb 0.46 -1.41 -0.08 0.00 -2.33 0.00 0.00 43.42 40.06 1s0j n LEU 371 CO 0.49 2.05 0.74 0.58 -1.33 0.00 0.00 177.39 179.93 1s0j h VAL 372 N 2.72 1.04 -0.46 4.08 2.07 -1.80 -2.10 116.25 121.79 1s0j h VAL 372 Ca 0.74 -0.42 -0.06 0.00 0.82 0.00 0.00 66.70 67.78 1s0j h VAL 372 Cb 0.30 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 1s0j h VAL 372 CO 1.56 0.10 0.03 1.23 0.02 0.00 0.00 177.57 180.51 1s0j h GLY 373 N -0.30 0.79 1.25 2.17 0.00 -1.79 -2.25 103.07 102.95 1s0j h GLY 373 Ca -0.01 -0.50 -0.21 0.00 0.00 0.00 0.00 47.33 46.62 1s0j h GLY 373 CO 0.02 0.46 -0.70 0.83 0.00 0.00 0.00 176.54 177.15 1s0j h GLU 374 N 0.70 0.75 -0.37 4.80 3.07 -1.85 -1.76 114.58 119.91 1s0j h GLU 374 Ca 0.14 -0.56 -0.07 0.00 -0.50 0.00 0.00 59.36 58.37 1s0j h GLU 374 Cb 0.38 0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.38 1s0j h GLU 374 CO 0.01 1.18 -0.06 1.25 -1.40 0.00 0.00 179.01 180.00 1s0j h LEU 375 N 0.53 0.59 -0.50 1.33 5.85 -1.15 -0.02 115.31 121.94 1s0j h LEU 375 Ca -0.03 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.52 1s0j h LEU 375 Cb 1.31 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 1s0j h LEU 375 CO 0.14 0.70 0.22 -0.09 -0.34 0.00 0.00 178.44 179.08 1s0j h ARG 376 N 0.58 0.74 -0.19 1.25 2.43 -1.01 -0.09 114.38 118.09 1s0j h ARG 376 Ca 0.11 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1s0j h ARG 376 Cb 0.45 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 1s0j h ARG 376 CO 0.02 0.63 0.12 0.82 -1.51 0.00 0.00 179.97 180.06 1s0j h ILE 377 N 0.67 1.06 -0.30 1.20 2.04 -0.98 -1.60 117.51 119.60 1s0j h ILE 377 Ca 0.17 -0.13 0.04 0.00 1.00 0.00 0.00 64.86 65.93 1s0j h ILE 377 Cb 0.16 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 1s0j h ILE 377 CO -0.02 0.06 0.09 0.40 0.00 0.00 0.00 178.15 178.68 1s0j h ILE 378 N 0.24 0.90 -0.62 -0.67 2.04 -0.74 -1.04 117.51 117.61 1s0j h ILE 378 Ca 0.07 -0.07 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 1s0j h ILE 378 Cb -0.01 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 1s0j h ILE 378 CO -0.01 0.04 0.27 0.11 0.00 0.00 0.00 178.15 178.56 1s0j h LYS 379 N 0.22 0.90 -0.55 2.37 1.57 -0.85 0.35 116.57 120.57 1s0j h LYS 379 Ca 0.14 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1s0j h LYS 379 Cb 0.12 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 1s0j h LYS 379 CO -0.15 0.71 0.23 1.03 -0.57 0.00 0.00 179.45 180.71 1s0j h SER 380 N 0.89 0.75 -0.43 0.86 0.87 -0.73 -0.90 113.55 114.86 1s0j h SER 380 Ca 0.21 -0.16 -0.09 0.00 -1.23 0.00 0.00 61.79 60.53 1s0j h SER 380 Cb 0.13 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.89 1s0j h SER 380 CO -0.02 0.70 -0.09 0.58 -0.53 0.00 0.00 176.83 177.47 1s0j h VAL 381 N 0.75 1.27 -0.50 2.23 2.07 -0.59 -1.87 116.25 119.61 1s0j h VAL 381 Ca 0.19 -1.18 -0.06 0.00 0.82 0.00 0.00 66.70 66.47 1s0j h VAL 381 Cb 0.17 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1s0j h VAL 381 CO -0.02 0.40 0.08 -0.07 0.02 0.00 0.00 177.57 177.99 1s0j h LEU 382 N 0.64 0.73 -0.67 2.57 3.38 -0.80 -0.81 115.31 120.35 1s0j h LEU 382 Ca 0.11 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1s0j h LEU 382 Cb 0.62 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 1s0j h LEU 382 CO 0.04 0.75 0.39 -0.61 0.09 0.00 0.00 178.44 179.10 1s0j h GLN 383 N 0.75 0.93 -0.57 1.13 5.75 -0.93 -0.67 115.11 121.49 1s0j h GLN 383 Ca 0.16 -0.09 -0.01 0.00 -0.15 0.00 0.00 58.65 58.55 1s0j h GLN 383 Cb 0.34 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 28.67 1s0j h GLN 383 CO 0.01 0.68 0.31 0.77 -2.65 0.00 0.00 178.83 177.94 1s0j h SER 384 N 0.92 0.72 -0.37 -0.69 0.02 -0.57 0.14 113.55 113.73 1s0j h SER 384 Ca 0.24 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 1s0j h SER 384 Cb 0.00 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.34 1s0j h SER 384 CO -0.04 0.61 0.13 -0.50 -1.14 0.00 0.00 176.83 175.89 1s0j h TRP 385 N 0.77 0.57 -0.56 3.45 6.55 -0.93 -1.07 115.95 124.73 1s0j h TRP 385 Ca 0.20 -0.05 -0.05 0.00 0.95 0.00 0.00 58.89 59.94 1s0j h TRP 385 Cb 0.06 -0.17 -0.02 0.00 -0.86 0.00 0.00 29.16 28.16 1s0j h TRP 385 CO -0.01 0.53 0.15 -0.22 -1.05 0.00 0.00 178.44 177.84 1s0j h LYS 386 N 0.44 0.89 -0.44 0.49 3.64 -0.84 -1.59 116.57 119.17 1s0j h LYS 386 Ca 0.12 -0.21 -0.09 0.00 -1.27 0.00 0.00 60.65 59.21 1s0j h LYS 386 Cb 0.21 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 1s0j h LYS 386 CO -0.01 0.82 -0.07 -0.91 -2.27 0.00 0.00 179.45 177.02 1s0j h ASN 387 N 0.80 0.83 0.05 4.20 2.35 -0.57 -0.72 115.58 122.52 1s0j h ASN 387 Ca 0.18 -0.34 -0.17 0.00 -0.55 0.00 0.00 56.30 55.42 1s0j h ASN 387 Cb 0.32 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 1s0j h ASN 387 CO -0.00 0.98 -0.58 -0.50 -1.65 0.00 0.00 177.43 175.68 1s0j h TRP 388 N 0.66 0.69 -0.60 1.19 -0.00 -1.14 -0.38 115.95 116.38 1s0j h TRP 388 Ca 0.12 -0.25 -0.10 0.00 -0.00 0.00 0.00 58.89 58.65 1s0j h TRP 388 Cb 0.60 -0.13 -0.02 0.00 -0.00 0.00 0.00 29.16 29.61 1s0j h TRP 388 CO 0.05 0.99 -0.01 -0.44 -0.00 0.00 0.00 178.44 179.03 1s0j h ASP 389 N 0.41 1.04 -0.26 -3.49 3.32 -1.20 -1.46 116.42 114.78 1s0j h ASP 389 Ca 0.00 -0.31 -0.02 0.00 0.02 0.00 0.00 57.03 56.73 1s0j h ASP 389 Cb 1.13 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.39 1s0j h ASP 389 CO 0.11 1.10 0.10 -1.28 -1.72 0.00 0.00 179.24 177.55 1s0j h SER 390 N 0.96 0.36 -0.11 6.45 0.87 -0.98 -0.70 113.55 120.40 1s0j h SER 390 Ca 0.17 -0.17 0.05 0.00 -1.23 0.00 0.00 61.79 60.61 1s0j h SER 390 Cb 0.57 -0.09 -0.06 0.00 -0.44 0.00 0.00 62.40 62.38 1s0j h SER 390 CO 0.03 0.43 -0.29 -0.74 -0.53 0.00 0.00 176.83 175.73 1s0j h HIS 391 N 0.27 -0.80 -0.50 2.24 -0.00 -0.85 0.55 115.15 116.07 1s0j h HIS 391 Ca 0.09 0.03 -0.06 0.00 -0.00 0.00 0.00 60.37 60.43 1s0j h HIS 391 Cb 0.18 0.37 -0.02 0.00 -0.00 0.00 0.00 27.41 27.94 1s0j h HIS 391 CO -0.01 -0.37 0.08 -0.07 -0.00 0.00 0.00 177.93 177.56 1s0j h LEU 392 N -0.37 0.79 -1.48 0.26 3.38 -1.20 -2.86 115.31 113.83 1s0j h LEU 392 Ca 0.09 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 1s0j h LEU 392 Cb 0.52 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1s0j h LEU 392 CO -0.32 0.85 -0.17 0.28 0.09 0.00 0.00 178.44 179.17 1s0j h SER 393 N 0.70 0.00 0.35 -0.43 0.02 -0.86 -2.79 113.55 110.53 1s0j h SER 393 Ca 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1s0j h SER 393 Cb 0.40 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.94 1s0j h SER 393 CO 0.01 0.17 -0.48 -1.54 -1.14 0.00 0.00 176.83 173.85 1s0j n SER 394 N -3.45 0.77 -4.73 3.07 3.41 0.16 -4.74 113.62 108.10 1s0j n SER 394 Ca -0.01 -0.56 -0.42 0.00 -0.26 0.00 0.00 58.87 57.62 1s0j n SER 394 Cb 0.34 0.30 -0.03 0.00 -0.26 0.00 0.00 64.21 64.57 1s0j n SER 394 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1s0j s ILE 395 N -2.83 2.43 -0.61 -1.33 1.01 -1.05 -4.92 121.20 113.90 1s0j s ILE 395 Ca 0.15 0.33 -0.25 0.00 0.00 0.00 0.00 60.65 60.88 1s0j s ILE 395 Cb 0.18 -3.21 0.04 0.00 0.01 0.00 0.00 42.46 39.48 1s0j s ILE 395 CO 0.66 0.04 1.07 0.00 0.00 0.00 0.00 174.94 176.70 1s0j s THR 397 N 4.53 4.72 0.33 0.00 -4.23 -1.26 -4.91 115.64 114.81 1s0j s THR 397 Ca 0.33 0.79 -0.29 0.00 -1.18 0.00 0.00 61.69 61.34 1s0j s THR 397 Cb -0.11 -3.83 -0.11 0.00 1.34 0.00 0.00 72.50 69.78 1s0j s THR 397 CO 0.19 -0.96 1.54 -2.65 -0.54 0.00 0.00 174.62 172.20 1s0j n PRO 398 N -2.32 2.65 0.00 3.99 -0.02 -1.26 -1.59 135.00 136.45 1s0j n PRO 398 Ca 0.05 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.46 1s0j n PRO 398 Cb 0.54 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 1s0j n PRO 398 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1s0j n ALA 399 N 1.42 0.00 -1.43 3.55 0.00 -1.26 -3.93 120.51 118.86 1s0j n ALA 399 Ca 0.06 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.50 1s0j n ALA 399 Cb 0.37 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.82 1s0j n ALA 399 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s0j n GLY 409 N 1.58 -3.94 3.45 0.00 0.00 -1.26 -4.93 105.19 100.09 1s0j n GLY 409 Ca 0.00 -0.90 -0.33 0.00 0.00 0.00 0.00 46.02 44.79 1s0j n GLY 409 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s0j n GLY 411 N 3.09 -1.03 3.65 0.00 0.00 -0.62 -4.91 105.19 105.36 1s0j n GLY 411 Ca -0.18 -1.69 -0.37 0.00 0.00 0.00 0.00 46.02 43.78 1s0j n GLY 411 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1s0j n PRO 412 N -1.28 0.85 -2.25 1.61 -0.02 -1.26 -4.49 135.00 128.16 1s0j n PRO 412 Ca 0.02 0.34 -0.34 0.00 -2.02 0.00 0.00 63.50 61.50 1s0j n PRO 412 Cb 0.06 -2.28 -0.00 0.00 -0.02 0.00 0.00 33.50 31.25 1s0j n PRO 412 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1s0j s ALA 413 N -1.55 2.74 0.26 3.55 0.00 -1.26 -4.63 121.76 120.87 1s0j s ALA 413 Ca 0.78 0.61 -0.31 0.00 0.00 0.00 0.00 51.96 53.04 1s0j s ALA 413 Cb -0.39 -3.29 -0.11 0.00 0.00 0.00 0.00 23.12 19.33 1s0j s ALA 413 CO 0.45 -0.68 1.63 0.08 0.00 0.00 0.00 175.76 177.25 1s0j s VAL 414 N -2.07 2.07 0.09 0.00 1.01 -1.26 -4.95 120.40 115.29 1s0j s VAL 414 Ca 0.68 0.06 -0.27 0.00 0.00 0.00 0.00 61.98 62.45 1s0j s VAL 414 Cb -0.19 -3.04 -0.06 0.00 0.00 0.00 0.00 36.38 33.09 1s0j s VAL 414 CO 0.28 0.01 0.83 0.28 0.00 0.00 0.00 175.10 176.51 1s0j s THR 415 N 0.39 4.60 -1.21 3.92 -1.32 -1.26 -4.47 115.64 116.29 1s0j s THR 415 Ca 0.67 1.79 0.10 0.00 -1.21 0.00 0.00 61.69 63.04 1s0j s THR 415 Cb -0.48 -4.19 0.14 0.00 -1.51 0.00 0.00 72.50 66.45 1s0j s THR 415 CO 0.43 0.37 0.94 0.35 -2.21 0.00 0.00 174.62 174.50 1s0j n THR 416 N 2.61 0.25 -2.48 5.08 -2.24 -1.26 -4.87 114.28 111.38 1s0j n THR 416 Ca -0.01 -0.63 -0.43 0.00 -2.27 0.00 0.00 64.05 60.71 1s0j n THR 416 Cb 0.50 1.04 -0.02 0.00 -2.10 0.00 0.00 70.33 69.74 1s0j n THR 416 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1s0j s VAL 417 N -0.91 4.30 0.00 2.28 1.01 -1.26 -2.16 120.40 123.66 1s0j s VAL 417 Ca 0.15 1.53 0.00 0.00 0.00 0.00 0.00 61.98 63.65 1s0j s VAL 417 Cb 0.09 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 32.32 1s0j s VAL 417 CO 0.14 -0.32 0.00 0.61 0.00 0.00 0.00 175.10 175.52 1s0j n GLY 418 N 3.89 0.74 3.63 4.51 0.00 -1.26 -4.88 105.19 111.82 1s0j n GLY 418 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 1s0j n GLY 418 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1s0j s LEU 419 N 0.00 3.90 -0.17 0.99 2.96 -0.92 -0.98 118.68 124.46 1s0j s LEU 419 Ca 0.00 1.08 0.08 0.00 -0.22 0.00 0.00 54.13 55.07 1s0j s LEU 419 Cb 0.00 -3.54 -0.16 0.00 0.50 0.00 0.00 46.19 42.99 1s0j s LEU 419 CO 0.00 -0.98 -0.05 0.52 -1.32 0.00 0.00 176.35 174.51 1s0j n VAL 420 N 6.06 1.07 -3.84 1.68 0.31 0.40 -4.77 118.33 119.25 1s0j n VAL 420 Ca 0.13 -0.54 -0.10 0.00 -0.01 0.00 0.00 64.34 63.82 1s0j n VAL 420 Cb 0.47 -0.88 -0.08 0.00 -0.91 0.00 0.00 33.84 32.44 1s0j n VAL 420 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1s0j s GLY 421 N -5.35 0.03 -0.24 2.92 0.00 -1.09 -4.74 107.32 98.85 1s0j s GLY 421 Ca -0.16 -0.35 -0.05 0.00 0.00 0.00 0.00 44.72 44.16 1s0j s GLY 421 CO 0.54 -0.53 0.46 -0.12 0.00 0.00 0.00 173.10 173.45 1s0j s PHE 422 N -2.93 -1.01 -0.24 1.90 5.99 -1.26 -1.31 117.98 119.12 1s0j s PHE 422 Ca -0.02 1.40 -0.09 0.00 0.00 0.00 0.00 56.93 58.23 1s0j s PHE 422 Cb 0.01 0.31 -0.04 0.00 0.00 0.00 0.00 43.02 43.29 1s0j s PHE 422 CO -0.06 -0.65 0.11 -0.51 -0.00 0.00 0.00 175.22 174.11 1s0j s LEU 423 N 2.66 3.74 0.00 6.12 1.43 0.19 -0.41 118.68 132.41 1s0j s LEU 423 Ca 0.07 -0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.10 1s0j s LEU 423 Cb -0.14 -2.00 0.00 0.00 0.03 0.00 0.00 46.19 44.08 1s0j s LEU 423 CO -0.16 0.01 0.00 -0.24 0.23 0.00 0.00 176.35 176.19 1s0j n SER 424 N 4.64 0.00 0.06 2.29 2.88 -1.26 -0.59 113.62 121.64 1s0j n SER 424 Ca -0.15 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.33 1s0j n SER 424 Cb 0.52 0.00 0.13 0.00 -0.75 0.00 0.00 64.21 64.11 1s0j n SER 424 CO 0.00 0.00 0.00 -0.74 -1.23 0.00 0.00 175.04 173.07 1s0j h HIS 425 N 0.00 0.42 -3.19 0.66 2.76 -1.91 -3.11 115.15 110.78 1s0j h HIS 425 Ca 0.00 -0.14 -0.54 0.00 -2.20 0.00 0.00 60.37 57.49 1s0j h HIS 425 Cb 0.00 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 28.87 1s0j h HIS 425 CO 0.00 0.79 0.58 -1.12 -1.30 0.00 0.00 177.93 176.88 1s0j s SER 426 N -6.89 7.12 -0.08 3.26 0.01 -1.26 -4.68 113.70 111.18 1s0j s SER 426 Ca -0.05 1.86 -0.23 0.00 1.31 0.00 0.00 55.95 58.84 1s0j s SER 426 Cb 0.12 -2.57 0.05 0.00 0.21 0.00 0.00 66.02 63.84 1s0j s SER 426 CO 0.80 -0.48 0.54 0.00 0.41 0.00 0.00 173.24 174.52 1s0j s ALA 427 N 1.52 -1.38 0.12 1.44 0.00 -1.26 -1.67 121.76 120.52 1s0j s ALA 427 Ca 0.56 1.09 0.01 0.00 0.00 0.00 0.00 51.96 53.63 1s0j s ALA 427 Cb -0.26 -0.21 0.01 0.00 0.00 0.00 0.00 23.12 22.67 1s0j s ALA 427 CO 0.26 -0.31 0.11 0.25 0.00 0.00 0.00 175.76 176.07 1s0j n THR 428 N 1.48 0.00 0.20 0.00 -2.24 0.46 -4.97 114.28 109.21 1s0j n THR 428 Ca -0.18 -0.44 0.05 0.00 -2.27 0.00 0.00 64.05 61.20 1s0j n THR 428 Cb 0.56 -0.57 0.49 0.00 -2.10 0.00 0.00 70.33 68.71 1s0j n THR 428 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1s0j h LYS 429 N 0.00 0.05 0.00 -0.78 1.63 -2.01 -3.24 116.57 112.22 1s0j h LYS 429 Ca -0.07 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.72 1s0j h LYS 429 Cb 0.27 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.89 1s0j h LYS 429 CO 0.10 0.21 0.00 0.25 -3.45 0.00 0.00 179.45 176.56 1s0j n THR 430 N -4.33 0.04 -4.04 1.00 -2.24 -1.26 -4.89 114.28 98.56 1s0j n THR 430 Ca -0.02 -0.48 -0.11 0.00 -2.27 0.00 0.00 64.05 61.18 1s0j n THR 430 Cb 0.24 1.06 -0.11 0.00 -2.10 0.00 0.00 70.33 69.42 1s0j n THR 430 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1s0j s GLU 431 N -0.04 0.46 -0.29 -0.78 2.02 -1.22 -0.98 118.70 117.87 1s0j s GLU 431 Ca 0.00 -0.77 -0.05 0.00 0.02 0.00 0.00 54.97 54.17 1s0j s GLU 431 Cb 0.00 -0.08 0.02 0.00 0.10 0.00 0.00 34.13 34.17 1s0j s GLU 431 CO 0.00 -0.01 0.04 -0.46 0.02 0.00 0.00 175.26 174.85 1s0j s TRP 432 N -1.76 3.14 -0.03 1.61 -0.11 0.13 -0.40 118.94 121.52 1s0j s TRP 432 Ca -0.10 -1.20 -0.30 0.00 1.22 0.00 0.00 56.10 55.72 1s0j s TRP 432 Cb -0.08 -2.20 -0.03 0.00 -1.50 0.00 0.00 33.47 29.67 1s0j s TRP 432 CO -0.01 -0.64 1.03 -1.21 -4.62 0.00 0.00 176.95 171.50 1s0j s GLU 433 N 1.43 4.49 0.03 5.86 2.02 -0.67 -1.20 118.70 130.66 1s0j s GLU 433 Ca 0.01 1.47 -0.30 0.00 0.02 0.00 0.00 54.97 56.17 1s0j s GLU 433 Cb -0.17 -3.48 -0.07 0.00 0.10 0.00 0.00 34.13 30.50 1s0j s GLU 433 CO 0.00 -0.19 1.61 0.34 0.02 0.00 0.00 175.26 177.04 1s0j s ASP 434 N 1.08 6.66 0.52 -0.19 2.15 -1.26 -4.20 116.67 121.43 1s0j s ASP 434 Ca 0.52 2.37 0.22 0.00 0.43 0.00 0.00 52.55 56.08 1s0j s ASP 434 Cb -0.21 -2.56 1.37 0.00 -0.30 0.00 0.00 42.92 41.22 1s0j s ASP 434 CO 0.25 -0.86 2.11 0.00 -0.17 0.00 0.00 175.17 176.49 1s0j h ALA 435 N 8.49 1.61 -0.09 3.66 0.00 -1.12 -1.70 119.26 130.12 1s0j h ALA 435 Ca -0.41 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1s0j h ALA 435 Cb 1.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1s0j h ALA 435 CO 0.93 0.11 0.00 0.66 0.00 0.00 0.00 179.25 180.95 1s0j n TYR 436 N -4.08 0.12 -1.30 0.00 4.02 -1.26 -4.88 117.16 109.78 1s0j n TYR 436 Ca -0.03 -0.06 -0.10 0.00 -0.01 0.00 0.00 57.90 57.70 1s0j n TYR 436 Cb 0.17 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.45 1s0j n TYR 436 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1s0j n ARG 437 N -0.25 -1.66 -0.13 -0.72 1.74 -0.64 -4.87 116.66 110.13 1s0j n ARG 437 Ca 0.12 0.85 -0.28 0.00 -0.77 0.00 0.00 57.85 57.78 1s0j n ARG 437 Cb 0.17 -5.25 -0.10 0.00 -1.02 0.00 0.00 32.46 26.25 1s0j n ARG 437 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1s0j s VAL 439 N -2.50 0.27 0.72 0.00 1.01 -1.26 -4.88 120.40 113.76 1s0j s VAL 439 Ca -0.38 -0.66 -0.11 0.00 0.00 0.00 0.00 61.98 60.83 1s0j s VAL 439 Cb 0.13 -1.02 0.02 0.00 0.00 0.00 0.00 36.38 35.52 1s0j s VAL 439 CO 0.52 -0.46 1.09 0.20 0.00 0.00 0.00 175.10 176.45 1s0j s ASN 440 N 1.95 5.23 -0.06 3.32 0.01 -1.26 -4.23 114.94 119.90 1s0j s ASN 440 Ca 0.04 1.25 -0.03 0.00 -0.71 0.00 0.00 52.86 53.42 1s0j s ASN 440 Cb -0.17 -2.06 -0.04 0.00 0.41 0.00 0.00 41.25 39.40 1s0j s ASN 440 CO -0.19 -1.49 0.07 0.00 -1.51 0.00 0.00 177.10 173.98 1s0j s ALA 441 N -3.26 3.58 0.34 0.60 0.00 -0.34 -4.53 121.76 118.15 1s0j s ALA 441 Ca 0.59 -0.79 -0.22 0.00 0.00 0.00 0.00 51.96 51.54 1s0j s ALA 441 Cb -0.12 -1.66 -0.10 0.00 0.00 0.00 0.00 23.12 21.24 1s0j s ALA 441 CO 0.53 0.64 0.88 -1.54 0.00 0.00 0.00 175.76 176.28 1s0j s SER 442 N -1.29 7.09 0.16 0.00 1.04 -0.24 0.19 113.70 120.65 1s0j s SER 442 Ca 0.18 1.65 0.06 0.00 0.48 0.00 0.00 55.95 58.32 1s0j s SER 442 Cb -0.12 -2.51 -0.04 0.00 0.10 0.00 0.00 66.02 63.44 1s0j s SER 442 CO 0.08 -0.16 -0.12 0.42 0.98 0.00 0.00 173.24 174.43 1s0j s THR 443 N -1.83 1.38 -0.03 2.02 -4.23 -0.15 -0.53 115.64 112.26 1s0j s THR 443 Ca 0.53 -2.07 -0.05 0.00 -1.18 0.00 0.00 61.69 58.93 1s0j s THR 443 Cb -0.14 -1.87 0.01 0.00 1.34 0.00 0.00 72.50 71.83 1s0j s THR 443 CO 0.19 -0.66 0.12 0.00 -0.54 0.00 0.00 174.62 173.73 1s0j s ALA 444 N -3.06 -0.28 -1.49 3.99 0.00 -0.43 -4.80 121.76 115.69 1s0j s ALA 444 Ca 0.18 0.13 -0.11 0.00 0.00 0.00 0.00 51.96 52.15 1s0j s ALA 444 Cb 0.01 -0.08 0.07 0.00 0.00 0.00 0.00 23.12 23.11 1s0j s ALA 444 CO 0.03 -0.11 0.92 0.09 0.00 0.00 0.00 175.76 176.69 1s0j n ASN 445 N 2.43 -4.08 -4.50 0.00 3.02 -1.26 -2.15 115.26 108.72 1s0j n ASN 445 Ca -0.16 -0.79 -0.32 0.00 -0.03 0.00 0.00 54.58 53.28 1s0j n ASN 445 Cb 0.58 -3.90 -0.12 0.00 -0.61 0.00 0.00 39.78 35.73 1s0j n ASN 445 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1s0j s ALA 446 N -3.38 2.72 -0.05 5.41 0.00 -1.26 -2.77 121.76 122.43 1s0j s ALA 446 Ca 0.53 -1.09 0.06 0.00 0.00 0.00 0.00 51.96 51.46 1s0j s ALA 446 Cb -0.27 -0.90 -0.01 0.00 0.00 0.00 0.00 23.12 21.94 1s0j s ALA 446 CO 0.83 0.58 -0.24 -2.00 0.00 0.00 0.00 175.76 174.93 1s0j s GLU 447 N -1.25 2.30 0.17 0.00 2.12 -0.08 -4.93 118.70 117.02 1s0j s GLU 447 Ca 0.14 -0.85 -0.30 0.00 0.36 0.00 0.00 54.97 54.32 1s0j s GLU 447 Cb -0.11 -2.01 -0.08 0.00 0.26 0.00 0.00 34.13 32.19 1s0j s GLU 447 CO 0.05 0.39 1.32 1.03 -0.54 0.00 0.00 175.26 177.50 1s0j s ARG 448 N -0.22 4.38 0.30 4.30 0.52 -1.26 -0.44 118.95 126.53 1s0j s ARG 448 Ca -0.01 2.03 0.02 0.00 -0.52 0.00 0.00 55.73 57.26 1s0j s ARG 448 Cb -0.12 -3.22 -0.05 0.00 0.52 0.00 0.00 34.95 32.08 1s0j s ARG 448 CO 0.02 -0.29 0.12 0.14 0.02 0.00 0.00 175.30 175.31 1s0j s VAL 449 N 0.42 0.56 0.08 3.52 -7.23 -0.65 -4.90 120.40 112.21 1s0j s VAL 449 Ca 0.59 -2.00 -0.33 0.00 -1.81 0.00 0.00 61.98 58.42 1s0j s VAL 449 Cb -0.36 -2.59 -0.12 0.00 0.56 0.00 0.00 36.38 33.87 1s0j s VAL 449 CO 0.35 0.00 1.74 -2.65 -0.31 0.00 0.00 175.10 174.23 1s0j n PRO 450 N -0.57 2.35 -1.55 4.82 -0.02 -1.26 -2.30 135.00 136.46 1s0j n PRO 450 Ca -0.00 0.85 -0.19 0.00 -2.02 0.00 0.00 63.50 62.14 1s0j n PRO 450 Cb 0.66 -2.68 -0.08 0.00 -0.02 0.00 0.00 33.50 31.38 1s0j n PRO 450 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1s0j n ASN 451 N 4.95 -5.39 0.00 2.55 3.02 -1.26 -4.83 115.26 114.31 1s0j n ASN 451 Ca 0.19 0.47 0.00 0.00 -0.03 0.00 0.00 54.58 55.21 1s0j n ASN 451 Cb 0.31 -4.55 0.00 0.00 -0.61 0.00 0.00 39.78 34.93 1s0j n ASN 451 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s0j n GLY 452 N -0.51 -0.67 3.03 7.41 0.00 -0.97 -1.52 105.19 111.96 1s0j n GLY 452 Ca -0.19 -0.49 -0.15 0.00 0.00 0.00 0.00 46.02 45.19 1s0j n GLY 452 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s0j s LEU 453 N 0.00 2.16 -0.20 0.99 1.43 -0.62 -1.63 118.68 120.81 1s0j s LEU 453 Ca 0.00 -0.37 -0.04 0.00 -1.03 0.00 0.00 54.13 52.69 1s0j s LEU 453 Cb 0.00 -0.24 -0.02 0.00 0.03 0.00 0.00 46.19 45.96 1s0j s LEU 453 CO 0.00 -0.08 -0.02 -0.75 0.23 0.00 0.00 176.35 175.73 1s0j s LYS 454 N -1.00 3.54 0.13 1.70 2.20 0.42 -1.26 119.74 125.47 1s0j s LYS 454 Ca -0.04 -0.56 0.06 0.00 -0.36 0.00 0.00 55.97 55.07 1s0j s LYS 454 Cb -0.07 -3.02 -0.04 0.00 -1.51 0.00 0.00 37.83 33.19 1s0j s LYS 454 CO 0.00 -0.01 -0.02 -0.06 -0.36 0.00 0.00 175.35 174.90 1s0j s PHE 455 N 1.03 2.87 -0.02 4.03 0.40 0.68 -0.91 117.98 126.06 1s0j s PHE 455 Ca 0.01 -0.10 -0.25 0.00 -0.60 0.00 0.00 56.93 55.99 1s0j s PHE 455 Cb -0.14 -1.44 0.05 0.00 0.51 0.00 0.00 43.02 42.00 1s0j s PHE 455 CO 0.01 0.48 0.55 0.00 0.70 0.00 0.00 175.22 176.96 1s0j s ALA 456 N -1.47 -1.41 0.00 5.36 0.00 -1.12 -2.39 121.76 120.74 1s0j s ALA 456 Ca 0.25 0.91 0.00 0.00 0.00 0.00 0.00 51.96 53.12 1s0j s ALA 456 Cb -0.10 0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.11 1s0j s ALA 456 CO 0.17 -0.36 0.00 0.41 0.00 0.00 0.00 175.76 175.98 1s0j n GLY 457 N 0.92 0.42 3.75 0.00 0.00 -1.26 -4.38 105.19 104.64 1s0j n GLY 457 Ca -0.20 -1.69 -0.41 0.00 0.00 0.00 0.00 46.02 43.72 1s0j n GLY 457 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1s0j n VAL 458 N 0.57 1.26 -0.31 1.61 0.31 -1.26 -1.14 118.33 119.37 1s0j n VAL 458 Ca 0.00 -0.32 0.00 0.00 -0.01 0.00 0.00 64.34 64.01 1s0j n VAL 458 Cb 0.00 -1.98 0.00 0.00 -0.91 0.00 0.00 33.84 30.95 1s0j n VAL 458 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1s0j n GLY 459 N 1.75 1.50 3.82 2.92 0.00 -1.24 -4.83 105.19 109.11 1s0j n GLY 459 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 1s0j n GLY 459 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1s0j s GLY 460 N -1.86 2.05 0.00 -0.02 0.00 -0.29 -3.74 107.32 103.46 1s0j s GLY 460 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 44.72 45.00 1s0j s GLY 460 CO 0.00 0.58 0.00 0.61 0.00 0.00 0.00 173.10 174.29 1s0j n GLY 461 N -1.34 0.94 3.22 0.20 0.00 -0.91 -1.50 105.19 105.79 1s0j n GLY 461 Ca 0.08 -2.01 -0.21 0.00 0.00 0.00 0.00 46.02 43.88 1s0j n GLY 461 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s0j s ALA 462 N -1.08 1.46 -0.11 4.61 0.00 0.14 -1.32 121.76 125.46 1s0j s ALA 462 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 50.84 1s0j s ALA 462 Cb 0.00 -0.16 0.02 0.00 0.00 0.00 0.00 23.12 22.98 1s0j s ALA 462 CO 0.00 0.25 -0.10 -1.17 0.00 0.00 0.00 175.76 174.74 1s0j s LEU 463 N -1.84 1.36 -0.41 0.00 0.20 0.30 -1.07 118.68 117.23 1s0j s LEU 463 Ca 0.02 -0.34 -0.07 0.00 0.69 0.00 0.00 54.13 54.43 1s0j s LEU 463 Cb -0.10 -0.92 0.08 0.00 -0.43 0.00 0.00 46.19 44.83 1s0j s LEU 463 CO 0.03 -0.08 0.22 0.86 -0.29 0.00 0.00 176.35 177.09 1s0j s TRP 464 N 1.50 3.39 0.35 5.38 -0.00 0.16 -1.08 118.94 128.64 1s0j s TRP 464 Ca 0.02 -1.79 -0.27 0.00 -0.00 0.00 0.00 56.10 54.06 1s0j s TRP 464 Cb -0.13 -2.95 -0.09 0.00 -0.00 0.00 0.00 33.47 30.30 1s0j s TRP 464 CO -0.07 -0.88 1.20 -1.25 -0.00 0.00 0.00 176.95 175.95 1s0j s PRO 465 N 1.34 4.29 0.00 5.86 0.04 -1.26 -0.72 135.00 144.55 1s0j s PRO 465 Ca 0.03 1.96 0.00 0.00 0.04 0.00 0.00 61.00 63.03 1s0j s PRO 465 Cb -0.23 -2.92 0.00 0.00 0.04 0.00 0.00 34.50 31.39 1s0j s PRO 465 CO 0.00 -0.15 0.00 0.28 0.04 0.00 0.00 177.00 177.17 1s0j n VAL 466 N 0.57 0.00 0.27 -0.36 0.31 0.06 -4.57 118.33 114.61 1s0j n VAL 466 Ca 0.02 0.00 0.14 0.00 -0.01 0.00 0.00 64.34 64.49 1s0j n VAL 466 Cb 0.44 -0.11 0.76 0.00 -0.91 0.00 0.00 33.84 34.02 1s0j n VAL 466 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1s0j h SER 467 N 0.00 0.00 0.22 4.52 4.64 -0.51 -1.52 113.55 120.89 1s0j h SER 467 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1s0j h SER 467 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1s0j h SER 467 CO 0.00 0.10 0.00 0.00 -0.87 0.00 0.00 176.83 176.06 1s0j n GLN 468 N -3.55 0.01 0.29 4.77 1.13 -0.83 -1.54 117.38 117.66 1s0j n GLN 468 Ca -0.02 0.37 0.15 0.00 -1.94 0.00 0.00 57.00 55.57 1s0j n GLN 468 Cb 0.23 -1.50 0.86 0.00 0.11 0.00 0.00 30.24 29.94 1s0j n GLN 468 CO 0.00 0.00 0.00 1.96 -1.44 0.00 0.00 177.06 177.58 1s0j h GLN 469 N 0.00 0.00 0.00 -1.09 4.20 -1.52 -3.48 115.11 113.22 1s0j h GLN 469 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1s0j h GLN 469 Cb 0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.89 1s0j h GLN 469 CO 0.00 0.06 0.00 0.41 -0.67 0.00 0.00 178.83 178.63 1s0j n GLY 470 N -0.92 1.19 0.29 3.46 0.00 -0.59 -4.36 105.19 104.26 1s0j n GLY 470 Ca -0.02 -1.00 -0.08 0.00 0.00 0.00 0.00 46.02 44.92 1s0j n GLY 470 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1s0j h GLN 471 N 0.00 0.99 -4.92 1.61 4.15 -1.87 -3.40 115.11 111.66 1s0j h GLN 471 Ca 0.00 -0.24 -0.67 0.00 0.77 0.00 0.00 58.65 58.51 1s0j h GLN 471 Cb 0.00 -0.13 -0.31 0.00 0.21 0.00 0.00 27.48 27.25 1s0j h GLN 471 CO 0.00 0.91 -0.75 -0.80 -1.93 0.00 0.00 178.83 176.26 1s0j s ASN 472 N -6.32 4.27 -0.55 -0.69 -0.87 -1.26 -2.34 114.94 107.18 1s0j s ASN 472 Ca -0.12 -0.78 0.01 0.00 -1.57 0.00 0.00 52.86 50.39 1s0j s ASN 472 Cb 0.13 -1.67 0.14 0.00 -0.02 0.00 0.00 41.25 39.83 1s0j s ASN 472 CO 0.83 -0.11 0.32 -1.10 -2.57 0.00 0.00 177.10 174.47 1s0j s GLN 473 N 1.35 2.20 0.44 -0.60 -0.21 0.57 -4.77 119.66 118.64 1s0j s GLN 473 Ca 0.01 -2.51 0.29 0.00 0.02 0.00 0.00 55.36 53.17 1s0j s GLN 473 Cb -0.16 -3.50 1.08 0.00 1.00 0.00 0.00 33.01 31.43 1s0j s GLN 473 CO -0.05 -1.13 1.85 0.00 -2.12 0.00 0.00 175.29 173.84 1s0j h ARG 474 N 6.85 0.00 -0.47 2.91 3.08 -1.86 -2.79 114.38 122.10 1s0j h ARG 474 Ca -0.05 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1s0j h ARG 474 Cb 0.93 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.97 1s0j h ARG 474 CO 0.69 0.00 0.01 0.66 -1.07 0.00 0.00 179.97 180.26 1s0j n TYR 475 N -2.81 1.69 0.03 3.04 0.53 -1.26 -4.57 117.16 113.81 1s0j n TYR 475 Ca 0.02 -0.81 0.19 0.00 -1.02 0.00 0.00 57.90 56.27 1s0j n TYR 475 Cb 0.33 -0.45 0.69 0.00 -1.03 0.00 0.00 39.34 38.88 1s0j n TYR 475 CO 0.00 0.00 0.00 1.25 -1.02 0.00 0.00 176.86 177.09 1s0j h HIS 476 N 3.13 0.00 -0.39 -0.72 2.76 -1.84 -0.92 115.15 117.17 1s0j h HIS 476 Ca 0.01 0.00 0.11 0.00 -2.20 0.00 0.00 60.37 58.30 1s0j h HIS 476 Cb 1.81 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.76 1s0j h HIS 476 CO 0.89 0.00 0.43 0.27 -1.30 0.00 0.00 177.93 178.22 1s0j h PHE 477 N 0.00 0.00 0.00 5.26 -0.00 -1.81 -2.05 116.94 118.34 1s0j h PHE 477 Ca 0.22 0.00 -0.01 0.00 -0.00 0.00 0.00 57.97 58.18 1s0j h PHE 477 Cb 0.90 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 36.85 1s0j h PHE 477 CO 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 178.31 178.24 1s0j h ALA 478 N 1.52 1.09 0.00 12.09 0.00 -1.29 0.51 119.26 133.18 1s0j h ALA 478 Ca 0.19 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1s0j h ALA 478 Cb 1.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1s0j h ALA 478 CO -0.00 0.09 0.00 0.09 0.00 0.00 0.00 179.25 179.43 1s0j n ASN 479 N -3.30 0.61 -0.07 0.00 3.02 -0.77 -3.59 115.26 111.16 1s0j n ASN 479 Ca -0.01 0.69 -0.14 0.00 -0.03 0.00 0.00 54.58 55.10 1s0j n ASN 479 Cb 0.26 -0.81 -0.06 0.00 -0.61 0.00 0.00 39.78 38.56 1s0j n ASN 479 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1s0j n HIS 480 N -2.22 0.00 -3.55 3.10 8.25 0.08 -4.41 115.22 116.47 1s0j n HIS 480 Ca 0.01 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.31 1s0j n HIS 480 Cb 0.16 -0.54 -0.06 0.00 1.12 0.00 0.00 29.99 30.66 1s0j n HIS 480 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1s0j s ALA 481 N -2.28 -1.80 0.13 -1.41 0.00 -0.65 -4.18 121.76 111.57 1s0j s ALA 481 Ca -0.20 1.47 -0.25 0.00 0.00 0.00 0.00 51.96 52.98 1s0j s ALA 481 Cb 0.07 -0.31 0.07 0.00 0.00 0.00 0.00 23.12 22.95 1s0j s ALA 481 CO 0.29 -0.35 0.76 -0.59 0.00 0.00 0.00 175.76 175.87 1s0j s PHE 482 N -0.93 -0.36 -0.05 0.00 -0.12 -0.54 -4.00 117.98 111.98 1s0j s PHE 482 Ca -0.08 0.12 0.02 0.00 -0.05 0.00 0.00 56.93 56.94 1s0j s PHE 482 Cb -0.01 0.59 0.02 0.00 -0.63 0.00 0.00 43.02 42.99 1s0j s PHE 482 CO 0.07 -0.82 -0.08 0.99 -0.05 0.00 0.00 175.22 175.34 1s0j s THR 483 N -3.51 0.79 -0.12 -4.49 2.01 -0.73 -1.52 115.64 108.06 1s0j s THR 483 Ca 0.06 -0.28 0.02 0.00 0.31 0.00 0.00 61.69 61.80 1s0j s THR 483 Cb -0.02 -0.75 -0.00 0.00 0.01 0.00 0.00 72.50 71.74 1s0j s THR 483 CO -0.06 0.27 -0.21 -0.22 -0.69 0.00 0.00 174.62 173.72 1s0j s LEU 484 N 0.72 2.25 0.00 4.42 2.96 0.10 -0.69 118.68 128.43 1s0j s LEU 484 Ca -0.12 -0.52 0.06 0.00 -0.22 0.00 0.00 54.13 53.33 1s0j s LEU 484 Cb -0.14 -1.47 -0.02 0.00 0.50 0.00 0.00 46.19 45.06 1s0j s LEU 484 CO 0.02 0.13 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.29 1s0j s VAL 485 N 0.52 1.59 0.05 1.68 1.01 -0.22 -0.46 120.40 124.57 1s0j s VAL 485 Ca -0.13 -0.94 -0.27 0.00 0.00 0.00 0.00 61.98 60.63 1s0j s VAL 485 Cb -0.17 -1.34 0.07 0.00 0.00 0.00 0.00 36.38 34.95 1s0j s VAL 485 CO 0.05 0.38 0.66 0.00 0.00 0.00 0.00 175.10 176.18 1s0j s ALA 486 N -0.56 -1.70 -0.14 5.51 0.00 -0.51 -0.89 121.76 123.48 1s0j s ALA 486 Ca 0.08 0.94 -0.07 0.00 0.00 0.00 0.00 51.96 52.90 1s0j s ALA 486 Cb -0.08 0.40 -0.04 0.00 0.00 0.00 0.00 23.12 23.40 1s0j s ALA 486 CO -0.00 -0.56 0.13 -1.12 0.00 0.00 0.00 175.76 174.20 1s0j s SER 487 N -1.94 6.25 0.06 0.00 0.01 -0.57 -0.20 113.70 117.30 1s0j s SER 487 Ca -0.05 0.38 0.01 0.00 1.31 0.00 0.00 55.95 57.61 1s0j s SER 487 Cb -0.00 -2.03 -0.03 0.00 0.21 0.00 0.00 66.02 64.16 1s0j s SER 487 CO -0.01 0.35 -0.06 0.68 0.41 0.00 0.00 173.24 174.60 1s0j s VAL 488 N -0.66 0.51 -0.04 3.43 -7.23 0.79 -0.85 120.40 116.34 1s0j s VAL 488 Ca 0.13 -1.39 -0.01 0.00 -1.81 0.00 0.00 61.98 58.90 1s0j s VAL 488 Cb -0.12 -0.98 0.03 0.00 0.56 0.00 0.00 36.38 35.87 1s0j s VAL 488 CO 0.02 -0.60 0.08 -0.89 -0.31 0.00 0.00 175.10 173.40 1s0j s THR 489 N -2.31 -0.05 -0.20 5.32 2.01 -0.15 -0.11 115.64 120.15 1s0j s THR 489 Ca -0.02 0.19 -0.10 0.00 0.31 0.00 0.00 61.69 62.06 1s0j s THR 489 Cb -0.04 -0.15 -0.05 0.00 0.01 0.00 0.00 72.50 72.27 1s0j s THR 489 CO -0.02 0.08 0.15 -0.63 -0.69 0.00 0.00 174.62 173.50 1s0j s ILE 490 N 1.05 5.40 -0.11 1.82 1.01 -1.26 -0.88 121.20 128.22 1s0j s ILE 490 Ca -0.08 0.22 0.20 0.00 0.00 0.00 0.00 60.65 60.99 1s0j s ILE 490 Cb -0.12 -3.49 -0.28 0.00 0.01 0.00 0.00 42.46 38.59 1s0j s ILE 490 CO -0.04 0.43 0.34 1.41 0.00 0.00 0.00 174.94 177.08 1s0j n HIS 491 N 3.58 0.09 -3.92 3.97 8.25 0.15 -0.50 115.22 126.85 1s0j n HIS 491 Ca -0.16 0.03 -0.13 0.00 -0.26 0.00 0.00 57.72 57.20 1s0j n HIS 491 Cb 0.52 -0.76 -0.14 0.00 1.12 0.00 0.00 29.99 30.73 1s0j n HIS 491 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1s0j s GLU 492 N -3.05 0.08 0.10 -0.41 2.02 -1.24 -4.79 118.70 111.41 1s0j s GLU 492 Ca -0.08 -0.02 -0.31 0.00 0.02 0.00 0.00 54.97 54.58 1s0j s GLU 492 Cb 0.10 -0.09 -0.08 0.00 0.10 0.00 0.00 34.13 34.16 1s0j s GLU 492 CO 0.87 0.01 1.39 0.08 0.02 0.00 0.00 175.26 177.63 1s0j s VAL 493 N 0.06 3.35 0.70 2.63 1.01 -1.26 -4.75 120.40 122.13 1s0j s VAL 493 Ca -0.00 0.95 -0.10 0.00 0.00 0.00 0.00 61.98 62.82 1s0j s VAL 493 Cb -0.01 -3.61 0.03 0.00 0.00 0.00 0.00 36.38 32.78 1s0j s VAL 493 CO -0.00 0.07 1.07 -2.16 0.00 0.00 0.00 175.10 174.08 1s0j s PRO 494 N 1.24 2.70 0.25 2.72 0.04 -1.26 -4.98 135.00 135.71 1s0j s PRO 494 Ca 0.65 0.29 0.07 0.00 0.04 0.00 0.00 61.00 62.05 1s0j s PRO 494 Cb -0.36 -2.06 0.28 0.00 0.04 0.00 0.00 34.50 32.39 1s0j s PRO 494 CO 0.30 -1.07 1.57 0.87 0.04 0.00 0.00 177.00 178.71 1s0j h LYS 495 N -0.63 0.15 0.00 4.56 1.57 -1.94 -3.36 116.57 116.91 1s0j h LYS 495 Ca -0.45 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.22 1s0j h LYS 495 Cb 1.27 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.60 1s0j h LYS 495 CO 0.63 0.72 0.00 0.41 -0.57 0.00 0.00 179.45 180.64 1s0j n GLY 496 N 0.29 3.85 3.47 3.86 0.00 -1.26 -4.77 105.19 110.62 1s0j n GLY 496 Ca -0.02 -0.50 -0.33 0.00 0.00 0.00 0.00 46.02 45.17 1s0j n GLY 496 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s0j s ALA 497 N -1.98 2.76 0.05 4.61 0.00 -1.26 -1.18 121.76 124.77 1s0j s ALA 497 Ca 0.00 -0.91 0.05 0.00 0.00 0.00 0.00 51.96 51.11 1s0j s ALA 497 Cb 0.00 -1.19 -0.02 0.00 0.00 0.00 0.00 23.12 21.91 1s0j s ALA 497 CO 0.00 0.41 -0.15 -1.12 0.00 0.00 0.00 175.76 174.90 1s0j s SER 498 N -0.23 1.76 0.42 0.00 0.01 0.27 -4.93 113.70 111.00 1s0j s SER 498 Ca 0.02 -0.50 -0.23 0.00 1.31 0.00 0.00 55.95 56.54 1s0j s SER 498 Cb -0.13 -0.10 -0.09 0.00 0.21 0.00 0.00 66.02 65.91 1s0j s SER 498 CO 0.03 0.02 1.05 -2.16 0.41 0.00 0.00 173.24 172.59 1s0j s PRO 499 N -1.29 4.06 0.00 12.44 0.04 -1.26 -0.99 135.00 148.00 1s0j s PRO 499 Ca 0.01 1.47 0.00 0.00 0.04 0.00 0.00 61.00 62.53 1s0j s PRO 499 Cb -0.08 -2.42 0.00 0.00 0.04 0.00 0.00 34.50 32.04 1s0j s PRO 499 CO 0.02 -0.22 0.00 -0.11 0.04 0.00 0.00 177.00 176.72 1s0j n LEU 500 N -0.32 0.79 -3.61 -3.56 0.00 -0.55 -3.85 117.00 105.90 1s0j n LEU 500 Ca 0.06 0.00 -0.15 0.00 0.00 0.00 0.00 56.01 55.92 1s0j n LEU 500 Cb 0.50 0.00 -0.07 0.00 0.00 0.00 0.00 43.42 43.86 1s0j n LEU 500 CO 0.44 0.09 0.42 -0.22 0.00 0.00 0.00 177.39 178.11 1s0j s LEU 501 N -5.54 -0.70 0.00 -1.96 2.96 -1.08 0.23 118.68 112.60 1s0j s LEU 501 Ca 0.00 1.27 0.00 0.00 -0.22 0.00 0.00 54.13 55.18 1s0j s LEU 501 Cb 0.00 2.46 0.00 0.00 0.50 0.00 0.00 46.19 49.15 1s0j s LEU 501 CO 0.00 -0.33 0.00 0.61 -1.32 0.00 0.00 176.35 175.31 1s0j n GLY 502 N 2.28 -0.18 3.39 7.98 0.00 -0.58 0.04 105.19 118.12 1s0j n GLY 502 Ca -0.15 -0.93 -0.35 0.00 0.00 0.00 0.00 46.02 44.58 1s0j n GLY 502 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s0j s ALA 503 N -2.00 2.98 -0.08 4.61 0.00 0.52 -1.01 121.76 126.78 1s0j s ALA 503 Ca 0.00 -1.11 -0.05 0.00 0.00 0.00 0.00 51.96 50.80 1s0j s ALA 503 Cb 0.00 -1.85 -0.04 0.00 0.00 0.00 0.00 23.12 21.23 1s0j s ALA 503 CO 0.00 -0.39 0.12 0.45 0.00 0.00 0.00 175.76 175.95 1s0j s SER 504 N 1.42 6.14 0.14 0.00 0.15 0.01 -0.84 113.70 120.72 1s0j s SER 504 Ca 0.05 0.36 0.21 0.00 0.70 0.00 0.00 55.95 57.27 1s0j s SER 504 Cb -0.15 -1.92 -0.07 0.00 -1.71 0.00 0.00 66.02 62.18 1s0j s SER 504 CO 0.00 0.36 0.93 0.18 1.20 0.00 0.00 173.24 175.91 1s0j n LEU 505 N 1.71 0.77 -4.76 3.45 4.77 0.13 -0.28 117.00 122.78 1s0j n LEU 505 Ca -0.17 0.31 -0.33 0.00 -0.03 0.00 0.00 56.01 55.79 1s0j n LEU 505 Cb 0.54 -0.02 -0.08 0.00 -2.33 0.00 0.00 43.42 41.54 1s0j n LEU 505 CO 0.34 -0.09 -0.26 1.51 -1.33 0.00 0.00 177.39 177.57 1s0j s ASP 506 N -5.38 4.12 0.43 -1.43 -4.77 -1.19 -4.02 116.67 104.43 1s0j s ASP 506 Ca -0.02 -1.65 0.24 0.00 -3.30 0.00 0.00 52.55 47.82 1s0j s ASP 506 Cb 0.10 0.49 0.87 0.00 -1.09 0.00 0.00 42.92 43.29 1s0j s ASP 506 CO 0.81 -0.84 1.81 0.77 0.70 0.00 0.00 175.17 178.41 1s0j h SER 507 N 1.37 0.00 0.96 2.11 4.64 -1.94 -3.24 113.55 117.45 1s0j h SER 507 Ca -0.44 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 60.67 1s0j h SER 507 Cb 1.31 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.38 1s0j h SER 507 CO 0.74 0.23 -1.00 0.77 -0.87 0.00 0.00 176.83 176.71 1s0j h SER 508 N 0.00 0.03 0.00 4.97 4.64 -1.96 -3.48 113.55 117.75 1s0j h SER 508 Ca -0.00 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1s0j h SER 508 Cb 0.78 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1s0j h SER 508 CO 0.03 1.01 0.00 0.61 -0.87 0.00 0.00 176.83 177.61 1s0j n GLY 509 N 1.32 0.45 0.19 -0.77 0.00 -1.22 -4.89 105.19 100.27 1s0j n GLY 509 Ca -0.01 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.10 1s0j n GLY 509 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1s0j h GLY 510 N 0.00 0.00 -7.44 -0.02 0.00 -1.92 -3.39 103.07 90.30 1s0j h GLY 510 Ca 0.00 0.00 -0.71 0.00 0.00 0.00 0.00 47.33 46.62 1s0j h GLY 510 CO 0.00 0.00 -0.48 1.25 0.00 0.00 0.00 176.54 177.31 1s0j s LYS 511 N -3.16 2.48 0.07 4.80 2.20 -1.26 -5.07 119.74 119.80 1s0j s LYS 511 Ca 0.05 -1.56 0.01 0.00 -0.36 0.00 0.00 55.97 54.11 1s0j s LYS 511 Cb 0.06 -3.75 -0.04 0.00 -1.51 0.00 0.00 37.83 32.60 1s0j s LYS 511 CO 0.69 -1.00 0.16 0.15 -0.36 0.00 0.00 175.35 174.99 1s0j s LYS 512 N 1.36 3.23 -0.19 4.03 1.02 -1.26 0.17 119.74 128.10 1s0j s LYS 512 Ca 0.04 -0.54 -0.23 0.00 0.02 0.00 0.00 55.97 55.26 1s0j s LYS 512 Cb -0.23 -2.92 -0.21 0.00 -0.52 0.00 0.00 37.83 33.95 1s0j s LYS 512 CO 0.00 0.59 0.36 1.25 -0.92 0.00 0.00 175.35 176.63 1s0j h LEU 513 N 3.14 0.00 -7.05 3.17 5.85 -1.29 -3.34 115.31 115.79 1s0j h LEU 513 Ca -0.46 -0.63 -0.00 0.00 0.84 0.00 0.00 57.88 57.63 1s0j h LEU 513 Cb 1.16 0.00 -0.22 0.00 0.37 0.00 0.00 40.66 41.97 1s0j h LEU 513 CO 0.72 1.35 -0.09 -0.22 -0.34 0.00 0.00 178.44 179.86 1s0j s LEU 514 N -7.97 -0.80 0.29 2.25 2.96 -1.17 -0.51 118.68 113.73 1s0j s LEU 514 Ca -0.26 1.38 -0.13 0.00 -0.22 0.00 0.00 54.13 54.90 1s0j s LEU 514 Cb 0.03 2.11 0.01 0.00 0.50 0.00 0.00 46.19 48.84 1s0j s LEU 514 CO 0.61 -0.23 0.56 -0.83 -1.32 0.00 0.00 176.35 175.15 1s0j s GLY 515 N 1.87 0.57 -0.07 7.98 0.00 -0.55 -0.35 107.32 116.76 1s0j s GLY 515 Ca -0.09 -0.87 0.02 0.00 0.00 0.00 0.00 44.72 43.78 1s0j s GLY 515 CO -0.18 -0.55 -0.11 -2.27 0.00 0.00 0.00 173.10 169.99 1s0j s LEU 516 N -3.05 1.56 0.43 0.66 2.96 0.11 -0.48 118.68 120.86 1s0j s LEU 516 Ca 0.21 -0.29 0.04 0.00 -0.22 0.00 0.00 54.13 53.87 1s0j s LEU 516 Cb -0.02 -0.80 -0.05 0.00 0.50 0.00 0.00 46.19 45.82 1s0j s LEU 516 CO 0.11 0.00 0.03 -0.44 -1.32 0.00 0.00 176.35 174.74 1s0j s SER 517 N 0.83 3.53 0.03 3.68 0.01 0.10 -1.48 113.70 120.40 1s0j s SER 517 Ca -0.12 -1.50 0.00 0.00 1.31 0.00 0.00 55.95 55.64 1s0j s SER 517 Cb -0.15 0.07 -0.02 0.00 0.21 0.00 0.00 66.02 66.13 1s0j s SER 517 CO 0.02 -0.67 -0.04 -0.72 0.41 0.00 0.00 173.24 172.24 1s0j s TYR 518 N -2.94 0.33 0.43 2.43 -0.85 -0.16 -0.07 117.35 116.52 1s0j s TYR 518 Ca 0.24 -0.58 0.03 0.00 -0.52 0.00 0.00 57.07 56.24 1s0j s TYR 518 Cb 0.06 -0.23 -0.02 0.00 0.38 0.00 0.00 41.96 42.15 1s0j s TYR 518 CO 0.12 -0.20 0.10 0.16 -1.52 0.00 0.00 175.55 174.22 1s0j s ASP 519 N -1.63 3.11 0.18 -0.18 1.47 -0.69 -0.56 116.67 118.37 1s0j s ASP 519 Ca -0.13 -1.68 0.19 0.00 1.18 0.00 0.00 52.55 52.11 1s0j s ASP 519 Cb -0.08 0.53 0.85 0.00 -0.34 0.00 0.00 42.92 43.88 1s0j s ASP 519 CO -0.02 -0.93 1.60 2.29 0.68 0.00 0.00 175.17 178.79 1s0j n LYS 520 N -1.00 0.13 -0.88 2.11 2.85 -0.32 -1.47 118.16 119.57 1s0j n LYS 520 Ca -0.09 0.41 0.04 0.00 -1.05 0.00 0.00 58.31 57.63 1s0j n LYS 520 Cb 0.65 -1.76 0.37 0.00 -0.65 0.00 0.00 35.03 33.64 1s0j n LYS 520 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1s0j n ARG 521 N -2.00 4.44 -2.49 -1.58 1.74 -1.26 -4.90 116.66 110.61 1s0j n ARG 521 Ca 0.02 -3.13 -0.19 0.00 -0.77 0.00 0.00 57.85 53.78 1s0j n ARG 521 Cb 0.18 -2.22 0.00 0.00 -1.02 0.00 0.00 32.46 29.40 1s0j n ARG 521 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1s0j n HIS 522 N 0.32 -1.09 -4.39 -1.55 8.25 -0.54 -4.97 115.22 111.25 1s0j n HIS 522 Ca 0.30 0.11 -0.24 0.00 -0.26 0.00 0.00 57.72 57.63 1s0j n HIS 522 Cb 1.21 -3.77 -0.09 0.00 1.12 0.00 0.00 29.99 28.46 1s0j n HIS 522 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1s0j s GLN 523 N -5.08 1.90 0.42 -0.41 -0.21 -1.26 -1.32 119.66 113.71 1s0j s GLN 523 Ca 0.06 -1.58 -0.22 0.00 0.02 0.00 0.00 55.36 53.65 1s0j s GLN 523 Cb -0.03 -1.94 -0.10 0.00 1.00 0.00 0.00 33.01 31.93 1s0j s GLN 523 CO 0.08 0.36 0.96 -1.58 -2.12 0.00 0.00 175.29 172.99 1s0j s TRP 524 N -2.27 3.31 -0.49 0.91 0.52 -0.19 -1.70 118.94 119.03 1s0j s TRP 524 Ca 0.29 1.63 0.03 0.00 0.02 0.00 0.00 56.10 58.07 1s0j s TRP 524 Cb -0.06 -2.90 0.14 0.00 -1.15 0.00 0.00 33.47 29.50 1s0j s TRP 524 CO 0.16 -0.19 0.29 -0.65 0.02 0.00 0.00 176.95 176.58 1s0j s GLN 525 N -3.04 1.59 0.31 4.98 -0.21 0.89 -1.03 119.66 123.17 1s0j s GLN 525 Ca 0.61 -2.35 -0.28 0.00 0.02 0.00 0.00 55.36 53.37 1s0j s GLN 525 Cb -0.11 -2.67 -0.09 0.00 1.00 0.00 0.00 33.01 31.14 1s0j s GLN 525 CO 0.16 -1.18 1.05 -1.25 -2.12 0.00 0.00 175.29 171.94 1s0j s PRO 526 N -0.07 4.52 -0.16 2.91 0.04 -1.26 -0.72 135.00 140.25 1s0j s PRO 526 Ca 0.19 1.63 0.01 0.00 0.04 0.00 0.00 61.00 62.87 1s0j s PRO 526 Cb -0.20 -2.97 0.02 0.00 0.04 0.00 0.00 34.50 31.39 1s0j s PRO 526 CO -0.03 0.15 -0.17 0.42 0.04 0.00 0.00 177.00 177.41 1s0j s ILE 527 N -1.36 1.77 -0.42 0.56 1.01 0.37 -4.49 121.20 118.65 1s0j s ILE 527 Ca 0.49 -0.76 -0.05 0.00 0.00 0.00 0.00 60.65 60.32 1s0j s ILE 527 Cb -0.27 -1.63 0.10 0.00 0.01 0.00 0.00 42.46 40.68 1s0j s ILE 527 CO 0.34 0.49 0.24 -0.31 0.00 0.00 0.00 174.94 175.70 1s0j s TYR 528 N 1.36 3.49 0.00 3.97 1.51 -1.26 -1.49 117.35 124.94 1s0j s TYR 528 Ca 0.04 -2.12 0.00 0.00 -1.01 0.00 0.00 57.07 53.98 1s0j s TYR 528 Cb -0.13 -3.19 0.00 0.00 -0.11 0.00 0.00 41.96 38.53 1s0j s TYR 528 CO -0.11 -0.95 0.00 0.41 -1.11 0.00 0.00 175.55 173.79 1s0j n GLY 529 N 4.72 2.91 1.36 0.71 0.00 0.33 -1.50 105.19 113.72 1s0j n GLY 529 Ca -0.05 -0.26 0.10 0.00 0.00 0.00 0.00 46.02 45.81 1s0j n GLY 529 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1s0j n SER 530 N 1.68 3.97 -4.76 1.61 7.64 -1.26 -4.56 113.62 117.94 1s0j n SER 530 Ca 0.00 -2.13 -0.39 0.00 1.01 0.00 0.00 58.87 57.36 1s0j n SER 530 Cb 0.00 -0.50 0.01 0.00 -1.01 0.00 0.00 64.21 62.72 1s0j n SER 530 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1s0j s THR 531 N -1.30 2.32 0.13 0.44 2.01 -0.56 -4.93 115.64 113.75 1s0j s THR 531 Ca 0.47 0.27 -0.35 0.00 0.31 0.00 0.00 61.69 62.40 1s0j s THR 531 Cb 0.26 -3.16 -0.15 0.00 0.01 0.00 0.00 72.50 69.47 1s0j s THR 531 CO 0.29 0.03 1.48 -2.65 -0.69 0.00 0.00 174.62 173.08 1s0j n PRO 532 N -0.25 1.74 -2.74 4.92 -0.02 -1.26 -4.61 135.00 132.78 1s0j n PRO 532 Ca 0.06 0.63 -0.42 0.00 -2.02 0.00 0.00 63.50 61.75 1s0j n PRO 532 Cb 0.43 -2.34 -0.03 0.00 -0.02 0.00 0.00 33.50 31.54 1s0j n PRO 532 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1s0j s VAL 533 N 0.72 4.88 -0.27 -1.45 1.01 -1.26 -4.93 120.40 119.09 1s0j s VAL 533 Ca 0.81 2.01 -0.02 0.00 0.00 0.00 0.00 61.98 64.78 1s0j s VAL 533 Cb -0.79 -4.30 0.03 0.00 0.00 0.00 0.00 36.38 31.33 1s0j s VAL 533 CO 0.42 0.16 -0.03 -0.89 0.00 0.00 0.00 175.10 174.76 1s0j s THR 534 N 1.04 3.00 0.58 3.92 2.01 -1.26 -5.10 115.64 119.82 1s0j s THR 534 Ca 0.51 -1.13 -0.20 0.00 0.31 0.00 0.00 61.69 61.17 1s0j s THR 534 Cb -0.21 -2.60 -0.04 0.00 0.01 0.00 0.00 72.50 69.66 1s0j s THR 534 CO 0.27 0.08 1.27 -2.65 -0.69 0.00 0.00 174.62 172.89 1s0j n PRO 535 N 4.67 1.41 -3.49 4.92 -0.02 -1.26 -4.54 135.00 136.68 1s0j n PRO 535 Ca -0.15 0.53 -0.12 0.00 -2.02 0.00 0.00 63.50 61.74 1s0j n PRO 535 Cb 0.46 -2.48 -0.03 0.00 -0.02 0.00 0.00 33.50 31.43 1s0j n PRO 535 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1s0j s THR 536 N -1.35 0.02 0.00 3.45 -1.32 -0.19 -4.98 115.64 111.28 1s0j s THR 536 Ca 0.75 -0.17 0.00 0.00 -1.21 0.00 0.00 61.69 61.05 1s0j s THR 536 Cb -0.41 -1.04 0.00 0.00 -1.51 0.00 0.00 72.50 69.53 1s0j s THR 536 CO 0.47 -0.10 0.00 0.61 -2.21 0.00 0.00 174.62 173.39 1s0j n GLY 537 N -0.23 0.69 3.56 6.08 0.00 -1.26 -1.02 105.19 113.00 1s0j n GLY 537 Ca -0.17 -0.85 -0.16 0.00 0.00 0.00 0.00 46.02 44.84 1s0j n GLY 537 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s0j s SER 538 N -4.00 -0.66 0.21 1.61 1.04 -1.26 -4.38 113.70 106.27 1s0j s SER 538 Ca 0.00 0.93 0.03 0.00 0.48 0.00 0.00 55.95 57.40 1s0j s SER 538 Cb 0.00 0.83 -0.05 0.00 0.10 0.00 0.00 66.02 66.90 1s0j s SER 538 CO 0.00 -0.46 -0.01 -1.66 0.98 0.00 0.00 173.24 172.09 1s0j s TRP 539 N -0.64 1.47 -0.06 5.02 1.48 -0.43 -4.92 118.94 120.86 1s0j s TRP 539 Ca -0.06 -0.94 0.05 0.00 -1.06 0.00 0.00 56.10 54.09 1s0j s TRP 539 Cb -0.02 -0.84 -0.02 0.00 -1.16 0.00 0.00 33.47 31.43 1s0j s TRP 539 CO 0.06 -0.07 -0.21 -2.00 -4.06 0.00 0.00 176.95 170.67 1s0j s GLU 540 N -3.87 2.63 0.29 3.25 2.12 -1.26 -4.83 118.70 117.03 1s0j s GLU 540 Ca 0.27 -0.82 -0.30 0.00 0.36 0.00 0.00 54.97 54.48 1s0j s GLU 540 Cb 0.06 -2.28 -0.12 0.00 0.26 0.00 0.00 34.13 32.05 1s0j s GLU 540 CO 0.07 0.43 1.59 -0.12 -0.54 0.00 0.00 175.26 176.69 1s0j n MET 541 N 2.84 2.67 -0.43 4.30 0.00 -1.26 -2.60 117.12 122.64 1s0j n MET 541 Ca -0.17 0.95 0.00 0.00 -0.00 0.00 0.00 57.70 58.48 1s0j n MET 541 Cb 0.52 -2.73 0.00 0.00 0.00 0.00 0.00 33.22 31.01 1s0j n MET 541 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1s0j n GLY 542 N 2.13 1.62 3.82 -5.12 0.00 0.35 -5.01 105.19 102.98 1s0j n GLY 542 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 1s0j n GLY 542 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1s0j s LYS 543 N -0.19 3.95 -0.02 1.61 2.20 -1.07 -4.92 119.74 121.30 1s0j s LYS 543 Ca 0.00 0.38 -0.25 0.00 -0.36 0.00 0.00 55.97 55.74 1s0j s LYS 543 Cb 0.00 -3.25 -0.04 0.00 -1.51 0.00 0.00 37.83 33.03 1s0j s LYS 543 CO 0.00 0.63 0.75 0.50 -0.36 0.00 0.00 175.35 176.87 1s0j s ARG 544 N -0.86 4.47 0.18 4.03 3.00 -1.26 -4.31 118.95 124.19 1s0j s ARG 544 Ca 0.23 1.00 0.09 0.00 -1.00 0.00 0.00 55.73 56.05 1s0j s ARG 544 Cb -0.16 -3.42 -0.04 0.00 0.00 0.00 0.00 34.95 31.33 1s0j s ARG 544 CO 0.12 0.14 -0.19 0.71 0.00 0.00 0.00 175.30 176.08 1s0j s TYR 545 N 0.49 1.90 -0.19 5.12 1.51 0.84 -4.96 117.35 122.06 1s0j s TYR 545 Ca 0.39 -0.45 -0.06 0.00 -1.01 0.00 0.00 57.07 55.94 1s0j s TYR 545 Cb -0.19 -0.94 -0.03 0.00 -0.11 0.00 0.00 41.96 40.69 1s0j s TYR 545 CO 0.21 0.37 0.03 -1.58 -1.11 0.00 0.00 175.55 173.47 1s0j s HIS 546 N -2.07 3.13 -0.07 2.71 5.65 -1.26 -0.15 115.29 123.23 1s0j s HIS 546 Ca 0.17 -0.18 0.05 0.00 0.25 0.00 0.00 55.06 55.35 1s0j s HIS 546 Cb -0.06 -2.07 -0.01 0.00 -1.18 0.00 0.00 32.58 29.26 1s0j s HIS 546 CO 0.07 -0.03 -0.22 0.08 -0.65 0.00 0.00 174.74 173.99 1s0j s VAL 547 N 0.65 2.32 -0.06 0.89 1.01 0.72 -0.09 120.40 125.84 1s0j s VAL 547 Ca 0.01 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 61.05 1s0j s VAL 547 Cb -0.14 -1.87 0.01 0.00 0.00 0.00 0.00 36.38 34.38 1s0j s VAL 547 CO 0.02 0.57 -0.10 -0.69 0.00 0.00 0.00 175.10 174.89 1s0j s VAL 548 N -0.15 0.98 -0.14 2.92 1.01 -0.36 -1.43 120.40 123.24 1s0j s VAL 548 Ca -0.03 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.55 1s0j s VAL 548 Cb -0.14 -0.90 -0.01 0.00 0.00 0.00 0.00 36.38 35.33 1s0j s VAL 548 CO 0.04 0.32 -0.14 -0.76 0.00 0.00 0.00 175.10 174.56 1s0j s LEU 549 N 0.65 2.65 0.05 3.92 1.43 0.39 -0.43 118.68 127.32 1s0j s LEU 549 Ca -0.13 -0.37 0.06 0.00 -1.03 0.00 0.00 54.13 52.67 1s0j s LEU 549 Cb -0.15 -1.60 -0.02 0.00 0.03 0.00 0.00 46.19 44.45 1s0j s LEU 549 CO 0.03 0.15 -0.18 0.42 0.23 0.00 0.00 176.35 176.99 1s0j s THR 550 N 0.47 1.44 -0.03 5.49 -4.23 -0.22 -0.72 115.64 117.83 1s0j s THR 550 Ca -0.10 -1.15 -0.01 0.00 -1.18 0.00 0.00 61.69 59.25 1s0j s THR 550 Cb -0.16 -1.28 0.03 0.00 1.34 0.00 0.00 72.50 72.44 1s0j s THR 550 CO 0.05 0.10 0.05 -0.32 -0.54 0.00 0.00 174.62 173.96 1s0j s MET 551 N -1.23 -0.04 0.01 3.99 0.00 -0.58 -0.64 119.30 120.82 1s0j s MET 551 Ca 0.05 0.28 -0.28 0.00 0.00 0.00 0.00 55.69 55.74 1s0j s MET 551 Cb -0.09 -0.32 0.07 0.00 0.00 0.00 0.00 34.83 34.49 1s0j s MET 551 CO 0.02 -0.22 0.64 0.00 0.00 0.00 0.00 175.02 175.46 1s0j s ALA 552 N 1.46 -1.68 -1.48 4.11 0.00 -0.61 -1.46 121.76 122.10 1s0j s ALA 552 Ca -0.04 1.04 -0.07 0.00 0.00 0.00 0.00 51.96 52.89 1s0j s ALA 552 Cb -0.13 0.25 0.03 0.00 0.00 0.00 0.00 23.12 23.27 1s0j s ALA 552 CO -0.03 -0.48 0.74 0.09 0.00 0.00 0.00 175.76 176.07 1s0j n ASN 553 N 0.56 -5.64 -0.94 0.00 3.02 -1.26 -1.51 115.26 109.49 1s0j n ASN 553 Ca -0.19 -0.40 -0.12 0.00 -0.03 0.00 0.00 54.58 53.84 1s0j n ASN 553 Cb 0.59 -4.54 -0.05 0.00 -0.61 0.00 0.00 39.78 35.17 1s0j n ASN 553 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1s0j n LYS 554 N -4.24 -1.44 -5.23 3.52 5.02 -1.26 -4.97 118.16 109.57 1s0j n LYS 554 Ca -0.06 0.91 -0.32 0.00 -2.02 0.00 0.00 58.31 56.83 1s0j n LYS 554 Cb 0.59 -5.20 -0.17 0.00 -0.02 0.00 0.00 35.03 30.23 1s0j n LYS 554 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1s0j s ILE 555 N -2.16 2.04 -0.05 -0.18 1.01 -0.57 -1.35 121.20 119.95 1s0j s ILE 555 Ca 0.00 -1.03 -0.01 0.00 0.00 0.00 0.00 60.65 59.61 1s0j s ILE 555 Cb 0.00 -1.74 -0.03 0.00 0.01 0.00 0.00 42.46 40.69 1s0j s ILE 555 CO 0.00 0.56 0.02 -0.83 0.00 0.00 0.00 174.94 174.69 1s0j s GLY 556 N 0.10 1.90 0.09 6.18 0.00 -0.26 -1.57 107.32 113.75 1s0j s GLY 556 Ca -0.11 -0.86 0.03 0.00 0.00 0.00 0.00 44.72 43.78 1s0j s GLY 556 CO 0.06 -0.67 -0.08 -0.56 0.00 0.00 0.00 173.10 171.85 1s0j s SER 557 N -1.24 1.22 -0.08 1.64 0.01 0.18 -1.78 113.70 113.65 1s0j s SER 557 Ca 0.17 -0.84 0.01 0.00 1.31 0.00 0.00 55.95 56.60 1s0j s SER 557 Cb -0.11 0.05 0.02 0.00 0.21 0.00 0.00 66.02 66.18 1s0j s SER 557 CO 0.07 -0.33 -0.10 -0.69 0.41 0.00 0.00 173.24 172.60 1s0j s VAL 558 N -2.69 1.06 -0.05 3.43 1.01 -1.26 -1.06 120.40 120.83 1s0j s VAL 558 Ca 0.05 -0.39 0.05 0.00 0.00 0.00 0.00 61.98 61.69 1s0j s VAL 558 Cb -0.01 -1.01 -0.02 0.00 0.00 0.00 0.00 36.38 35.34 1s0j s VAL 558 CO -0.02 0.35 -0.19 -0.31 0.00 0.00 0.00 175.10 174.93 1s0j s TYR 559 N 1.07 2.56 -0.14 5.22 1.51 0.42 -1.46 117.35 126.54 1s0j s TYR 559 Ca -0.07 -0.41 0.01 0.00 -1.01 0.00 0.00 57.07 55.59 1s0j s TYR 559 Cb -0.14 -1.61 0.02 0.00 -0.11 0.00 0.00 41.96 40.11 1s0j s TYR 559 CO -0.01 -0.00 -0.15 0.42 -1.11 0.00 0.00 175.55 174.70 1s0j s ILE 560 N -0.46 1.60 -1.46 2.71 -1.09 0.27 -1.22 121.20 121.55 1s0j s ILE 560 Ca 0.05 -0.67 -0.09 0.00 -2.23 0.00 0.00 60.65 57.71 1s0j s ILE 560 Cb -0.12 -1.48 0.05 0.00 -1.58 0.00 0.00 42.46 39.33 1s0j s ILE 560 CO 0.01 0.46 0.78 0.47 -1.23 0.00 0.00 174.94 175.44 1s0j n ASP 561 N 4.53 -5.18 0.00 3.58 10.43 0.87 -1.88 116.55 128.89 1s0j n ASP 561 Ca -0.18 -0.50 0.00 0.00 2.57 0.00 0.00 54.79 56.68 1s0j n ASP 561 Cb 0.51 -4.17 0.00 0.00 1.84 0.00 0.00 41.12 39.29 1s0j n ASP 561 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1s0j n GLY 562 N -1.56 1.02 3.29 0.44 0.00 -1.26 -5.02 105.19 102.10 1s0j n GLY 562 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 1s0j n GLY 562 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1s0j s GLU 563 N -0.20 2.26 0.40 1.61 0.41 -0.79 -4.82 118.70 117.58 1s0j s GLU 563 Ca 0.00 -0.91 -0.27 0.00 -0.41 0.00 0.00 54.97 53.38 1s0j s GLU 563 Cb 0.00 -2.07 -0.10 0.00 -1.78 0.00 0.00 34.13 30.19 1s0j s GLU 563 CO 0.00 0.49 1.42 -2.14 -0.49 0.00 0.00 175.26 174.53 1s0j s PRO 564 N -0.43 3.97 0.60 0.39 0.02 -1.26 -0.57 135.00 137.73 1s0j s PRO 564 Ca 0.05 2.42 -0.18 0.00 0.02 0.00 0.00 61.00 63.31 1s0j s PRO 564 Cb -0.11 -2.84 -0.03 0.00 0.02 0.00 0.00 34.50 31.54 1s0j s PRO 564 CO 0.01 -0.59 1.15 -0.51 -0.33 0.00 0.00 177.00 176.73 1s0j s LEU 565 N -2.33 3.59 0.26 -5.54 1.43 -0.54 -4.85 118.68 110.70 1s0j s LEU 565 Ca 0.56 2.18 -0.31 0.00 -1.03 0.00 0.00 54.13 55.54 1s0j s LEU 565 Cb -0.43 -4.58 -0.13 0.00 0.03 0.00 0.00 46.19 41.08 1s0j s LEU 565 CO 0.57 -1.51 1.48 1.21 0.23 0.00 0.00 176.35 178.33 1s0j n GLU 566 N -1.82 2.30 -1.00 1.70 2.13 -1.26 -2.04 120.64 120.66 1s0j n GLU 566 Ca 0.12 0.82 0.00 0.00 0.66 0.00 0.00 57.16 58.75 1s0j n GLU 566 Cb 0.51 -2.52 0.00 0.00 0.27 0.00 0.00 31.44 29.70 1s0j n GLU 566 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1s0j n GLY 567 N 2.10 0.46 3.94 8.31 0.00 -1.26 -5.02 105.19 113.72 1s0j n GLY 567 Ca 0.10 -0.42 -0.29 0.00 0.00 0.00 0.00 46.02 45.42 1s0j n GLY 567 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1s0j s SER 568 N -2.38 3.39 -0.06 1.61 0.15 -0.86 -4.63 113.70 110.92 1s0j s SER 568 Ca 0.00 0.15 -0.00 0.00 0.70 0.00 0.00 55.95 56.80 1s0j s SER 568 Cb 0.00 -0.27 -0.00 0.00 -1.71 0.00 0.00 66.02 64.04 1s0j s SER 568 CO 0.00 -2.55 0.05 0.61 1.20 0.00 0.00 173.24 172.55 1s0j n GLY 569 N -3.57 0.54 3.66 9.45 0.00 -0.80 -5.01 105.19 109.45 1s0j n GLY 569 Ca 0.15 -0.38 -0.24 0.00 0.00 0.00 0.00 46.02 45.55 1s0j n GLY 569 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1s0j s GLN 570 N -3.74 2.34 0.06 1.61 -1.52 -0.73 -4.87 119.66 112.81 1s0j s GLN 570 Ca 0.01 -1.31 -0.31 0.00 -1.95 0.00 0.00 55.36 51.80 1s0j s GLN 570 Cb -0.00 -2.23 -0.07 0.00 -0.22 0.00 0.00 33.01 30.49 1s0j s GLN 570 CO 0.04 0.39 1.39 0.99 -0.25 0.00 0.00 175.29 177.85 1s0j s THR 571 N -2.12 3.53 -0.14 -0.19 2.01 -1.26 -1.10 115.64 116.37 1s0j s THR 571 Ca 0.30 1.03 0.01 0.00 0.31 0.00 0.00 61.69 63.34 1s0j s THR 571 Cb -0.07 -3.66 0.00 0.00 0.01 0.00 0.00 72.50 68.78 1s0j s THR 571 CO 0.20 0.04 0.34 1.33 -0.69 0.00 0.00 174.62 175.84 1s0j n VAL 572 N 4.30 0.00 -4.02 3.82 0.24 -0.45 -4.66 118.33 117.55 1s0j n VAL 572 Ca 0.12 -0.49 -0.31 0.00 -2.04 0.00 0.00 64.34 61.62 1s0j n VAL 572 Cb 0.43 1.02 -0.15 0.00 -1.47 0.00 0.00 33.84 33.67 1s0j n VAL 572 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1s0j s VAL 573 N -0.54 2.15 0.25 3.34 1.01 -1.22 -4.57 120.40 120.82 1s0j s VAL 573 Ca 0.01 -2.01 -0.14 0.00 0.00 0.00 0.00 61.98 59.85 1s0j s VAL 573 Cb 0.01 -2.46 -0.08 0.00 0.00 0.00 0.00 36.38 33.85 1s0j s VAL 573 CO 0.03 -0.38 0.65 -2.16 0.00 0.00 0.00 175.10 173.25 1s0j s PRO 574 N 1.02 3.98 0.40 2.72 0.04 -1.26 -4.93 135.00 136.97 1s0j s PRO 574 Ca 0.03 0.57 0.00 0.00 0.04 0.00 0.00 61.00 61.64 1s0j s PRO 574 Cb -0.19 -2.64 0.00 0.00 0.04 0.00 0.00 34.50 31.71 1s0j s PRO 574 CO -0.08 0.29 0.00 -0.40 0.04 0.00 0.00 177.00 176.85 1s0j n ASP 575 N 0.05 -7.63 0.05 6.66 3.85 -1.26 -4.53 116.55 113.74 1s0j n ASP 575 Ca 0.00 0.82 0.12 0.00 -0.71 0.00 0.00 54.79 55.02 1s0j n ASP 575 Cb 0.52 -4.06 0.48 0.00 -1.35 0.00 0.00 41.12 36.72 1s0j n ASP 575 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 1s0j n GLU 576 N -4.04 0.10 -2.34 0.11 1.02 -1.26 -4.84 120.64 109.39 1s0j n GLU 576 Ca -0.02 0.17 -0.41 0.00 -0.02 0.00 0.00 57.16 56.88 1s0j n GLU 576 Cb 0.59 -1.64 -0.03 0.00 -0.02 0.00 0.00 31.44 30.34 1s0j n GLU 576 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1s0j s ARG 577 N -3.07 4.50 0.20 3.49 0.52 -1.26 -4.99 118.95 118.33 1s0j s ARG 577 Ca 0.10 1.93 -0.30 0.00 -0.52 0.00 0.00 55.73 56.95 1s0j s ARG 577 Cb 0.14 -3.19 -0.08 0.00 0.52 0.00 0.00 34.95 32.33 1s0j s ARG 577 CO 0.48 -0.04 1.15 0.99 0.02 0.00 0.00 175.30 177.90 1s0j s THR 578 N -0.53 3.63 0.90 0.02 2.01 -1.26 -4.91 115.64 115.51 1s0j s THR 578 Ca 0.50 1.43 -0.10 0.00 0.31 0.00 0.00 61.69 63.83 1s0j s THR 578 Cb -0.34 -3.91 0.14 0.00 0.01 0.00 0.00 72.50 68.39 1s0j s THR 578 CO 0.41 0.26 1.15 -2.84 -0.69 0.00 0.00 174.62 172.91 1s0j s PRO 579 N -0.55 1.10 -0.52 4.92 0.02 -1.26 -4.99 135.00 133.72 1s0j s PRO 579 Ca 0.50 1.55 0.04 0.00 0.02 0.00 0.00 61.00 63.11 1s0j s PRO 579 Cb -0.32 -1.74 0.16 0.00 0.02 0.00 0.00 34.50 32.63 1s0j s PRO 579 CO 0.37 -2.57 0.37 0.34 -0.33 0.00 0.00 177.00 175.18 1s0j s ASP 580 N -2.66 3.04 0.23 2.53 3.68 -1.26 -4.82 116.67 117.41 1s0j s ASP 580 Ca 0.67 -3.23 -0.31 0.00 2.13 0.00 0.00 52.55 51.81 1s0j s ASP 580 Cb -0.23 -0.95 -0.11 0.00 -1.45 0.00 0.00 42.92 40.18 1s0j s ASP 580 CO 0.57 -0.16 1.58 -0.63 0.13 0.00 0.00 175.17 176.66 1s0j s ILE 581 N -0.38 2.34 -0.12 4.11 1.01 -1.26 -4.75 121.20 122.16 1s0j s ILE 581 Ca 0.27 0.27 -0.26 0.00 0.00 0.00 0.00 60.65 60.93 1s0j s ILE 581 Cb -0.05 -3.17 -0.27 0.00 0.01 0.00 0.00 42.46 38.98 1s0j s ILE 581 CO -0.14 0.03 0.76 -1.28 0.00 0.00 0.00 174.94 174.31 1s0j h SER 582 N 5.88 0.14 -5.08 3.58 0.87 -0.78 -0.57 113.55 117.59 1s0j h SER 582 Ca -0.45 -0.95 0.20 0.00 -1.23 0.00 0.00 61.79 59.36 1s0j h SER 582 Cb 1.21 -0.05 -0.12 0.00 -0.44 0.00 0.00 62.40 63.00 1s0j h SER 582 CO 0.86 1.16 0.61 -1.38 -0.53 0.00 0.00 176.83 177.55 1s0j s HIS 583 N -2.30 -0.17 -0.04 2.24 -3.43 -1.19 -0.76 115.29 109.64 1s0j s HIS 583 Ca -0.18 -0.01 -0.16 0.00 -0.80 0.00 0.00 55.06 53.91 1s0j s HIS 583 Cb -0.01 0.57 -0.05 0.00 -1.43 0.00 0.00 32.58 31.66 1s0j s HIS 583 CO 0.73 -0.54 0.42 -0.06 -2.00 0.00 0.00 174.74 173.29 1s0j s PHE 584 N -2.93 3.66 -0.06 0.38 0.40 0.10 -0.81 117.98 118.72 1s0j s PHE 584 Ca 0.10 0.95 -0.01 0.00 -0.60 0.00 0.00 56.93 57.37 1s0j s PHE 584 Cb 0.00 -2.37 -0.03 0.00 0.51 0.00 0.00 43.02 41.13 1s0j s PHE 584 CO -0.03 0.49 0.02 1.52 0.70 0.00 0.00 175.22 177.91 1s0j s TYR 585 N -0.53 3.18 -0.04 0.36 -0.85 -0.18 -0.66 117.35 118.62 1s0j s TYR 585 Ca 0.24 0.19 -0.01 0.00 -0.52 0.00 0.00 57.07 56.97 1s0j s TYR 585 Cb -0.16 -1.77 0.03 0.00 0.38 0.00 0.00 41.96 40.44 1s0j s TYR 585 CO 0.12 0.49 0.01 0.08 -1.52 0.00 0.00 175.55 174.73 1s0j s VAL 586 N -0.96 0.18 -0.43 -3.49 1.01 -0.23 -1.52 120.40 114.95 1s0j s VAL 586 Ca 0.16 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.30 1s0j s VAL 586 Cb -0.11 -0.32 0.00 0.00 0.00 0.00 0.00 36.38 35.94 1s0j s VAL 586 CO 0.05 0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.95 1s0j n GLY 587 N 4.67 0.69 0.00 4.51 0.00 0.14 -0.68 105.19 114.51 1s0j n GLY 587 Ca -0.16 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1s0j n GLY 587 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s0j n GLY 588 N -2.09 1.07 0.03 -0.02 0.00 -1.25 -4.09 105.19 98.84 1s0j n GLY 588 Ca -0.04 -1.76 0.12 0.00 0.00 0.00 0.00 46.02 44.35 1s0j n GLY 588 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1s0j n TYR 589 N -1.76 0.23 -3.75 1.61 0.53 -1.19 -4.45 117.16 108.38 1s0j n TYR 589 Ca 0.00 0.07 -0.28 0.00 -1.02 0.00 0.00 57.90 56.66 1s0j n TYR 589 Cb 0.00 -0.45 0.02 0.00 -1.03 0.00 0.00 39.34 37.88 1s0j n TYR 589 CO 0.00 0.00 0.00 1.17 -1.02 0.00 0.00 176.86 177.01 1s0j n LYS 590 N -1.75 -5.24 -3.78 -0.72 4.81 -0.56 -4.88 118.16 106.04 1s0j n LYS 590 Ca 0.05 0.61 -0.26 0.00 -0.87 0.00 0.00 58.31 57.85 1s0j n LYS 590 Cb 0.38 -5.49 -0.17 0.00 0.02 0.00 0.00 35.03 29.77 1s0j n LYS 590 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1s0j s ARG 591 N -6.45 0.77 0.38 1.64 1.81 -1.25 -4.91 118.95 110.94 1s0j s ARG 591 Ca 0.60 -0.20 0.28 0.00 -1.72 0.00 0.00 55.73 54.69 1s0j s ARG 591 Cb -0.30 -1.60 1.23 0.00 -0.45 0.00 0.00 34.95 33.83 1s0j s ARG 591 CO 0.74 -0.46 1.83 0.66 -0.68 0.00 0.00 175.30 177.39 1s0j h SER 592 N 8.26 0.00 1.19 0.23 4.64 -1.88 -1.54 113.55 124.46 1s0j h SER 592 Ca -0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1s0j h SER 592 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1s0j h SER 592 CO 0.32 0.00 -0.23 0.61 -0.87 0.00 0.00 176.83 176.66 1s0j n GLY 593 N -0.24 -1.58 3.74 -0.77 0.00 -1.26 -4.59 105.19 100.50 1s0j n GLY 593 Ca 0.01 -0.12 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 1s0j n GLY 593 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1s0j s MET 594 N -3.11 4.25 0.00 1.61 -1.94 -0.58 -4.97 119.30 114.57 1s0j s MET 594 Ca 0.10 0.40 0.29 0.00 -1.71 0.00 0.00 55.69 54.77 1s0j s MET 594 Cb 0.13 -3.39 1.67 0.00 2.01 0.00 0.00 34.83 35.26 1s0j s MET 594 CO 0.64 0.27 2.05 -0.35 -0.01 0.00 0.00 175.02 177.62 1s0j n PRO 595 N 3.29 0.81 -1.64 2.03 -0.05 -1.26 -4.36 135.00 133.81 1s0j n PRO 595 Ca -0.09 0.00 -0.32 0.00 -0.05 0.00 0.00 63.50 63.05 1s0j n PRO 595 Cb 0.52 -1.50 0.05 0.00 -0.05 0.00 0.00 33.50 32.52 1s0j n PRO 595 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 175.50 176.40 1s0j s THR 596 N -2.11 3.73 -0.32 0.52 -4.23 -1.26 -4.88 115.64 107.09 1s0j s THR 596 Ca 0.40 0.65 -0.02 0.00 -1.18 0.00 0.00 61.69 61.54 1s0j s THR 596 Cb 0.20 -3.25 0.11 0.00 1.34 0.00 0.00 72.50 70.89 1s0j s THR 596 CO 0.35 -0.65 0.14 -0.62 -0.54 0.00 0.00 174.62 173.30 1s0j s ASP 597 N -3.31 3.62 -0.24 3.99 -1.08 -1.26 -4.06 116.67 114.32 1s0j s ASP 597 Ca 0.61 -1.63 -0.18 0.00 -0.52 0.00 0.00 52.55 50.83 1s0j s ASP 597 Cb -0.16 -0.57 -0.03 0.00 -1.46 0.00 0.00 42.92 40.70 1s0j s ASP 597 CO 0.49 -0.40 0.53 -0.44 0.52 0.00 0.00 175.17 175.87 1s0j s SER 598 N 1.67 6.49 -0.55 -0.34 0.01 -1.26 -4.82 113.70 114.90 1s0j s SER 598 Ca 0.11 0.59 -0.08 0.00 1.31 0.00 0.00 55.95 57.88 1s0j s SER 598 Cb -0.18 -2.29 0.14 0.00 0.21 0.00 0.00 66.02 63.90 1s0j s SER 598 CO -0.25 -0.26 0.41 -0.13 0.41 0.00 0.00 173.24 173.42 1s0j s ARG 599 N 2.12 2.60 0.08 12.44 0.52 -1.26 -3.87 118.95 131.58 1s0j s ARG 599 Ca 0.22 -2.03 -0.14 0.00 -0.52 0.00 0.00 55.73 53.26 1s0j s ARG 599 Cb -0.16 -3.92 0.02 0.00 0.52 0.00 0.00 34.95 31.42 1s0j s ARG 599 CO 0.09 -1.19 0.33 0.14 0.02 0.00 0.00 175.30 174.69 1s0j s VAL 600 N 0.87 0.09 -0.07 3.52 -7.23 -1.00 -0.67 120.40 115.90 1s0j s VAL 600 Ca 0.10 -0.70 0.03 0.00 -1.81 0.00 0.00 61.98 59.59 1s0j s VAL 600 Cb -0.22 -1.10 -0.02 0.00 0.56 0.00 0.00 36.38 35.59 1s0j s VAL 600 CO -0.03 -0.39 -0.14 -0.89 -0.31 0.00 0.00 175.10 173.35 1s0j s THR 601 N -3.25 3.09 -0.04 5.32 2.01 -0.06 -0.23 115.64 122.48 1s0j s THR 601 Ca -0.00 -0.70 0.04 0.00 0.31 0.00 0.00 61.69 61.33 1s0j s THR 601 Cb 0.01 -2.23 -0.00 0.00 0.01 0.00 0.00 72.50 70.29 1s0j s THR 601 CO -0.08 0.58 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.60 1s0j s VAL 602 N -0.49 1.15 0.09 3.82 1.01 -0.39 -0.97 120.40 124.61 1s0j s VAL 602 Ca 0.06 -0.56 0.05 0.00 0.00 0.00 0.00 61.98 61.54 1s0j s VAL 602 Cb -0.12 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.23 1s0j s VAL 602 CO 0.02 0.34 -0.13 0.20 0.00 0.00 0.00 175.10 175.52 1s0j s ASN 603 N 0.10 1.76 -0.80 3.32 0.01 -0.03 -1.59 114.94 117.70 1s0j s ASN 603 Ca -0.03 -0.72 -0.01 0.00 -0.71 0.00 0.00 52.86 51.38 1s0j s ASN 603 Cb -0.10 -0.05 -0.00 0.00 0.41 0.00 0.00 41.25 41.51 1s0j s ASN 603 CO 0.01 -0.13 0.66 0.59 -1.51 0.00 0.00 177.10 176.72 1s0j n ASN 604 N 0.87 -6.33 -4.62 -1.22 5.03 -0.58 -1.51 115.26 106.90 1s0j n ASN 604 Ca -0.18 -0.53 -0.41 0.00 0.87 0.00 0.00 54.58 54.33 1s0j n ASN 604 Cb 0.56 -3.57 -0.06 0.00 -1.02 0.00 0.00 39.78 35.69 1s0j n ASN 604 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1s0j s VAL 605 N -3.02 4.92 -0.05 2.41 1.01 0.24 -4.26 120.40 121.64 1s0j s VAL 605 Ca 0.03 1.15 0.01 0.00 0.00 0.00 0.00 61.98 63.17 1s0j s VAL 605 Cb -0.01 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.33 1s0j s VAL 605 CO 0.82 -0.07 -0.05 -0.76 0.00 0.00 0.00 175.10 175.04 1s0j s LEU 606 N 2.66 3.28 -0.14 3.92 1.43 -0.07 -0.64 118.68 129.12 1s0j s LEU 606 Ca 0.28 -0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.39 1s0j s LEU 606 Cb -0.15 -1.76 0.01 0.00 0.03 0.00 0.00 46.19 44.32 1s0j s LEU 606 CO 0.10 0.35 -0.19 -0.22 0.23 0.00 0.00 176.35 176.62 1s0j s LEU 607 N -0.98 1.95 0.17 1.79 2.96 -0.43 -1.05 118.68 123.09 1s0j s LEU 607 Ca 0.14 -0.55 0.09 0.00 -0.22 0.00 0.00 54.13 53.59 1s0j s LEU 607 Cb -0.11 -1.32 -0.04 0.00 0.50 0.00 0.00 46.19 45.22 1s0j s LEU 607 CO 0.03 0.03 -0.09 -0.31 -1.32 0.00 0.00 176.35 174.69 1s0j s TYR 608 N 1.05 2.66 -0.41 5.38 1.51 0.13 -0.45 117.35 127.22 1s0j s TYR 608 Ca -0.03 -0.21 0.06 0.00 -1.01 0.00 0.00 57.07 55.89 1s0j s TYR 608 Cb -0.14 -1.31 0.50 0.00 -0.11 0.00 0.00 41.96 40.90 1s0j s TYR 608 CO -0.05 0.50 1.45 0.27 -1.11 0.00 0.00 175.55 176.61 1s0j n ASN 609 N 0.11 3.88 -3.95 2.29 0.23 -0.16 -1.78 115.26 115.89 1s0j n ASN 609 Ca -0.11 -2.81 -0.09 0.00 -0.53 0.00 0.00 54.58 51.05 1s0j n ASN 609 Cb 0.55 -0.67 -0.04 0.00 -2.08 0.00 0.00 39.78 37.54 1s0j n ASN 609 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1s0j s ARG 610 N -2.18 1.60 -0.34 -3.83 1.70 -1.26 -4.60 118.95 110.04 1s0j s ARG 610 Ca 0.37 -1.16 -0.25 0.00 -0.47 0.00 0.00 55.73 54.23 1s0j s ARG 610 Cb 0.29 0.51 0.01 0.00 -0.57 0.00 0.00 34.95 35.19 1s0j s ARG 610 CO 0.09 -0.69 0.85 -1.14 -1.08 0.00 0.00 175.30 173.34 1s0j s GLN 611 N -3.98 3.88 0.55 3.89 0.74 -1.26 -2.81 119.66 120.66 1s0j s GLN 611 Ca 0.18 0.55 -0.20 0.00 0.05 0.00 0.00 55.36 55.94 1s0j s GLN 611 Cb -0.02 -3.77 -0.05 0.00 1.10 0.00 0.00 33.01 30.27 1s0j s GLN 611 CO 0.08 -0.83 1.20 -0.51 -0.55 0.00 0.00 175.29 174.68 1s0j s LEU 612 N 3.21 3.77 0.83 3.68 1.43 -1.26 -5.03 118.68 125.30 1s0j s LEU 612 Ca 0.35 2.37 -0.10 0.00 -1.03 0.00 0.00 54.13 55.71 1s0j s LEU 612 Cb -0.13 -4.50 0.14 0.00 0.03 0.00 0.00 46.19 41.73 1s0j s LEU 612 CO 0.16 -1.39 1.16 0.54 0.23 0.00 0.00 176.35 177.06 1s0j s ASN 613 N -1.52 3.96 0.15 2.29 2.20 -1.26 -4.86 114.94 115.90 1s0j s ASN 613 Ca 0.73 0.26 -0.16 0.00 -0.94 0.00 0.00 52.86 52.74 1s0j s ASN 613 Cb -0.30 -0.57 0.06 0.00 -2.00 0.00 0.00 41.25 38.44 1s0j s ASN 613 CO 0.33 -2.17 1.74 0.00 -2.94 0.00 0.00 177.10 174.06 1s0j h ALA 614 N -1.09 0.39 -0.61 3.54 0.00 -1.99 -0.57 119.26 118.93 1s0j h ALA 614 Ca -0.43 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 1s0j h ALA 614 Cb 1.27 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 1s0j h ALA 614 CO 0.48 -0.31 0.14 1.49 0.00 0.00 0.00 179.25 181.05 1s0j h GLU 615 N 0.23 0.95 -0.48 0.00 4.81 -1.98 0.11 114.58 118.21 1s0j h GLU 615 Ca 0.16 -0.21 -0.13 0.00 -0.13 0.00 0.00 59.36 59.05 1s0j h GLU 615 Cb 0.16 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1s0j h GLU 615 CO -0.19 0.85 -0.21 0.93 -0.73 0.00 0.00 179.01 179.66 1s0j h GLU 616 N 0.91 0.99 -0.42 1.92 5.08 -1.81 -0.03 114.58 121.20 1s0j h GLU 616 Ca 0.19 -0.42 -0.07 0.00 -1.00 0.00 0.00 59.36 58.06 1s0j h GLU 616 Cb 0.34 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1s0j h GLU 616 CO 0.00 1.10 -0.01 0.82 -1.00 0.00 0.00 179.01 179.92 1s0j h ILE 617 N 0.84 1.26 -0.56 3.13 2.04 -0.71 -1.60 117.51 121.91 1s0j h ILE 617 Ca 0.11 -1.04 0.05 0.00 1.00 0.00 0.00 64.86 64.98 1s0j h ILE 617 Cb 0.79 1.10 -0.05 0.00 -0.74 0.00 0.00 36.82 37.91 1s0j h ILE 617 CO 0.07 0.35 0.29 -0.09 0.00 0.00 0.00 178.15 178.77 1s0j h ARG 618 N 0.59 0.53 -0.52 2.37 9.65 -0.64 -1.03 114.38 125.34 1s0j h ARG 618 Ca 0.12 -0.03 -0.03 0.00 -1.10 0.00 0.00 59.98 58.94 1s0j h ARG 618 Cb 0.50 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 28.93 1s0j h ARG 618 CO 0.02 0.35 0.21 1.15 2.80 0.00 0.00 179.97 184.50 1s0j h THR 619 N 0.55 1.22 -0.79 0.20 2.02 -0.75 -0.54 112.91 114.81 1s0j h THR 619 Ca 0.25 -0.67 -0.03 0.00 0.77 0.00 0.00 66.41 66.73 1s0j h THR 619 Cb 0.17 0.69 -0.04 0.00 -1.74 0.00 0.00 68.15 67.23 1s0j h THR 619 CO -0.18 0.25 0.36 -0.07 0.37 0.00 0.00 175.52 176.26 1s0j h LEU 620 N 0.69 1.05 0.09 2.58 3.38 -0.90 -0.99 115.31 121.21 1s0j h LEU 620 Ca 0.17 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1s0j h LEU 620 Cb 0.20 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1s0j h LEU 620 CO -0.01 0.90 -0.04 0.15 0.09 0.00 0.00 178.44 179.53 1s0j h PHE 621 N 1.12 -0.11 0.00 1.13 3.57 -0.81 -1.99 116.94 119.84 1s0j h PHE 621 Ca 0.27 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.74 1s0j h PHE 621 Cb 0.15 0.04 -0.00 0.00 2.79 0.00 0.00 35.95 38.92 1s0j h PHE 621 CO 0.01 0.02 -0.12 -0.07 -2.23 0.00 0.00 178.31 175.92 1s0j h LEU 622 N -0.22 0.00 -2.89 0.59 3.38 -0.86 -2.92 115.31 112.39 1s0j h LEU 622 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1s0j h LEU 622 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1s0j h LEU 622 CO 0.02 0.12 0.00 -1.20 0.09 0.00 0.00 178.44 177.47 1s0j n SER 623 N -3.78 3.81 0.29 -0.43 7.64 -0.40 -4.66 113.62 116.09 1s0j n SER 623 Ca -0.02 -2.13 0.16 0.00 1.01 0.00 0.00 58.87 57.89 1s0j n SER 623 Cb 0.23 -0.43 0.93 0.00 -1.01 0.00 0.00 64.21 63.92 1s0j n SER 623 CO 0.00 0.00 0.00 0.06 -3.01 0.00 0.00 175.04 172.09 1s0j h GLN 624 N 3.49 0.00 -0.17 1.43 3.07 -1.17 0.51 115.11 122.28 1s0j h GLN 624 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1s0j h GLN 624 Cb 1.02 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.58 1s0j h GLN 624 CO 0.05 0.00 0.00 -0.25 0.09 0.00 0.00 178.83 178.72 1s0j n ASP 625 N -3.80 1.83 -0.00 0.06 8.00 -1.26 -4.07 116.55 117.31 1s0j n ASP 625 Ca -0.03 -1.72 0.06 0.00 0.71 0.00 0.00 54.79 53.82 1s0j n ASP 625 Cb 0.11 -0.11 -0.09 0.00 -0.02 0.00 0.00 41.12 41.01 1s0j n ASP 625 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1s0j n LEU 626 N 0.43 0.17 0.04 0.64 4.77 0.16 -4.72 117.00 118.49 1s0j n LEU 626 Ca 0.17 -0.14 0.12 0.00 -0.03 0.00 0.00 56.01 56.13 1s0j n LEU 626 Cb 0.36 0.00 0.26 0.00 -2.33 0.00 0.00 43.42 41.72 1s0j n LEU 626 CO 0.14 0.04 0.49 2.30 -1.33 0.00 0.00 177.39 179.03 1s0j n ILE 627 N -1.77 0.23 -0.96 -0.08 -5.35 -1.17 -4.97 119.36 105.30 1s0j n ILE 627 Ca -0.01 -0.16 -0.33 0.00 -0.27 0.00 0.00 62.75 61.98 1s0j n ILE 627 Cb 0.30 -0.10 0.14 0.00 -1.74 0.00 0.00 39.64 38.24 1s0j n ILE 627 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1s0j n GLY 628 N 1.40 -0.22 0.28 3.28 0.00 -1.26 -4.93 105.19 103.74 1s0j n GLY 628 Ca 0.05 -0.57 0.13 0.00 0.00 0.00 0.00 46.02 45.63 1s0j n GLY 628 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1s0j n THR 629 N -3.60 0.00 -0.35 2.61 -2.24 -1.26 -4.59 114.28 104.85 1s0j n THR 629 Ca 0.13 -0.14 0.04 0.00 -2.27 0.00 0.00 64.05 61.81 1s0j n THR 629 Cb 0.51 0.38 0.12 0.00 -2.10 0.00 0.00 70.33 69.23 1s0j n THR 629 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1s0j h GLU 630 N 1.36 -0.00 -0.00 -0.78 4.81 -1.95 -0.13 114.58 117.88 1s0j h GLU 630 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1s0j h GLU 630 Cb 0.49 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.87 1s0j h GLU 630 CO 0.00 -0.00 -0.10 0.00 -0.73 0.00 0.00 179.01 178.18 1s0j n ALA 631 N -3.54 2.66 0.39 2.92 0.00 -1.26 -5.08 120.51 116.59 1s0j n ALA 631 Ca 0.14 -0.19 0.05 0.00 0.00 0.00 0.00 53.44 53.43 1s0j n ALA 631 Cb 0.47 -1.39 0.04 0.00 0.00 0.00 0.00 19.45 18.57 1s0j n ALA 631 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22