#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e4m n GLN 3 N 0.00 0.00 -1.77 -1.46 -0.06 -1.26 -4.86 117.38 107.98 2e4m n GLN 3 Ca 0.00 0.00 -0.41 0.00 -2.00 0.00 0.00 57.00 54.59 2e4m n GLN 3 Cb 0.00 0.00 -0.00 0.00 -4.06 0.00 0.00 30.24 26.18 2e4m n GLN 3 CO 0.00 0.00 0.00 -2.37 -0.20 0.00 0.00 177.06 174.49 2e4m n THR 4 N 0.00 1.95 1.65 1.69 5.66 -1.26 -4.88 114.28 119.08 2e4m n THR 4 Ca 0.00 -0.49 0.12 0.00 -3.05 0.00 0.00 64.05 60.64 2e4m n THR 4 Cb 0.00 -1.94 0.59 0.00 -1.55 0.00 0.00 70.33 67.43 2e4m n THR 4 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 2e4m n ASN 5 N 0.57 0.88 0.27 1.09 0.23 -1.26 -4.37 115.26 112.66 2e4m n ASN 5 Ca 0.02 -1.42 0.16 0.00 -0.53 0.00 0.00 54.58 52.80 2e4m n ASN 5 Cb 0.38 -0.03 0.71 0.00 -2.08 0.00 0.00 39.78 38.77 2e4m n ASN 5 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2e4m h ALA 6 N 4.02 1.06 -0.44 -2.53 0.00 -1.97 -2.16 119.26 117.24 2e4m h ALA 6 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2e4m h ALA 6 Cb 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2e4m h ALA 6 CO 0.00 0.09 0.00 0.09 0.00 0.00 0.00 179.25 179.43 2e4m n ASN 7 N -3.26 2.81 -4.73 0.00 5.03 -1.26 -4.59 115.26 109.26 2e4m n ASN 7 Ca -0.00 -1.94 -0.35 0.00 0.87 0.00 0.00 54.58 53.15 2e4m n ASN 7 Cb 0.29 -0.29 0.08 0.00 -1.02 0.00 0.00 39.78 38.84 2e4m n ASN 7 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 2e4m s ASP 8 N -1.22 4.45 -0.29 6.41 -0.00 -0.81 -4.75 116.67 120.47 2e4m s ASP 8 Ca 0.36 2.42 -0.07 0.00 -0.00 0.00 0.00 52.55 55.27 2e4m s ASP 8 Cb 0.20 -2.60 -0.23 0.00 -0.00 0.00 0.00 42.92 40.29 2e4m s ASP 8 CO 0.27 -2.09 3.50 0.18 -0.00 0.00 0.00 175.17 177.03 2e4m n LEU 9 N -2.35 5.87 -4.76 1.23 4.77 -1.26 -4.93 117.00 115.57 2e4m n LEU 9 Ca 0.14 -3.40 -0.38 0.00 -0.03 0.00 0.00 56.01 52.34 2e4m n LEU 9 Cb 0.50 -1.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.15 2e4m n LEU 9 CO 0.47 1.77 0.89 -0.13 -1.33 0.00 0.00 177.39 179.06 2e4m s ARG 10 N 1.15 3.64 0.30 3.23 0.52 -1.26 -4.97 118.95 121.56 2e4m s ARG 10 Ca 0.67 1.97 -0.30 0.00 -0.52 0.00 0.00 55.73 57.55 2e4m s ARG 10 Cb 0.30 -2.44 -0.12 0.00 0.52 0.00 0.00 34.95 33.20 2e4m s ARG 10 CO -0.01 -0.70 1.41 -1.71 0.02 0.00 0.00 175.30 174.30 2e4m n ASN 11 N -0.50 3.05 -0.06 0.23 5.15 -1.26 -2.80 115.26 119.07 2e4m n ASN 11 Ca 0.07 1.17 -0.01 0.00 -0.60 0.00 0.00 54.58 55.22 2e4m n ASN 11 Cb 0.46 -1.49 -0.00 0.00 -0.53 0.00 0.00 39.78 38.22 2e4m n ASN 11 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2e4m n ASN 12 N 1.56 -4.85 -4.94 1.20 3.02 0.20 -5.00 115.26 106.45 2e4m n ASN 12 Ca 0.08 0.02 -0.24 0.00 -0.03 0.00 0.00 54.58 54.40 2e4m n ASN 12 Cb 0.35 -2.41 0.01 0.00 -0.61 0.00 0.00 39.78 37.12 2e4m n ASN 12 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2e4m s GLU 13 N -1.35 3.14 -0.05 3.52 0.41 -1.12 -4.83 118.70 118.43 2e4m s GLU 13 Ca 0.00 -0.28 0.05 0.00 -0.41 0.00 0.00 54.97 54.33 2e4m s GLU 13 Cb 0.00 -2.49 -0.01 0.00 -1.78 0.00 0.00 34.13 29.86 2e4m s GLU 13 CO 0.00 -0.30 -0.21 0.08 -0.49 0.00 0.00 175.26 174.34 2e4m s VAL 14 N -2.64 1.72 0.06 2.63 1.01 -1.26 -1.41 120.40 120.51 2e4m s VAL 14 Ca 0.48 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.60 2e4m s VAL 14 Cb -0.10 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.78 2e4m s VAL 14 CO 0.40 0.49 -0.07 -0.36 0.00 0.00 0.00 175.10 175.55 2e4m s PHE 15 N -0.04 0.75 0.03 5.22 0.40 0.41 -1.63 117.98 123.12 2e4m s PHE 15 Ca -0.04 -0.65 -0.25 0.00 -0.60 0.00 0.00 56.93 55.39 2e4m s PHE 15 Cb -0.13 -0.44 -0.05 0.00 0.51 0.00 0.00 43.02 42.91 2e4m s PHE 15 CO 0.03 -0.11 0.77 -0.06 0.70 0.00 0.00 175.22 176.55 2e4m s PHE 16 N -2.18 3.71 -0.28 0.36 0.40 0.07 -0.88 117.98 119.17 2e4m s PHE 16 Ca -0.02 1.45 -0.03 0.00 -0.60 0.00 0.00 56.93 57.73 2e4m s PHE 16 Cb -0.05 -2.83 0.04 0.00 0.51 0.00 0.00 43.02 40.69 2e4m s PHE 16 CO -0.01 0.23 -0.00 0.42 0.70 0.00 0.00 175.22 176.55 2e4m s ILE 17 N 0.13 3.13 0.16 0.64 1.01 -1.26 -1.63 121.20 123.38 2e4m s ILE 17 Ca 0.39 -1.16 0.10 0.00 0.00 0.00 0.00 60.65 59.98 2e4m s ILE 17 Cb -0.20 -2.70 -0.04 0.00 0.01 0.00 0.00 42.46 39.53 2e4m s ILE 17 CO 0.22 0.01 -0.19 -0.94 0.00 0.00 0.00 174.94 174.05 2e4m s SER 18 N 1.32 3.77 0.41 3.58 1.04 -0.25 0.12 113.70 123.69 2e4m s SER 18 Ca -0.02 -0.69 -0.26 0.00 0.48 0.00 0.00 55.95 55.46 2e4m s SER 18 Cb -0.18 -0.46 -0.09 0.00 0.10 0.00 0.00 66.02 65.39 2e4m s SER 18 CO -0.01 0.14 1.33 -2.16 0.98 0.00 0.00 173.24 173.51 2e4m s PRO 19 N -2.48 3.93 0.60 4.02 0.04 -1.26 -0.73 135.00 139.11 2e4m s PRO 19 Ca 0.20 2.21 0.31 0.00 0.04 0.00 0.00 61.00 63.76 2e4m s PRO 19 Cb -0.09 -2.75 1.86 0.00 0.04 0.00 0.00 34.50 33.56 2e4m s PRO 19 CO 0.11 -0.54 2.25 0.66 0.04 0.00 0.00 177.00 179.51 2e4m h SER 20 N 2.64 0.00 0.02 6.66 4.64 -1.27 -2.41 113.55 123.83 2e4m h SER 20 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 2e4m h SER 20 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2e4m h SER 20 CO 0.62 0.00 -0.01 -0.46 -0.87 0.00 0.00 176.83 176.11 2e4m n ASN 21 N -3.77 0.93 -3.18 4.97 2.04 -1.26 -4.76 115.26 110.24 2e4m n ASN 21 Ca -0.02 -1.26 0.02 0.00 -0.44 0.00 0.00 54.58 52.87 2e4m n ASN 21 Cb 0.11 -0.00 -0.01 0.00 -2.53 0.00 0.00 39.78 37.35 2e4m n ASN 21 CO 0.00 0.00 0.00 0.21 -0.44 0.00 0.00 177.26 177.03 2e4m s ASN 22 N -2.04 -1.39 0.17 0.53 3.84 -0.91 -5.01 114.94 110.12 2e4m s ASN 22 Ca 0.40 -0.04 0.18 0.00 0.21 0.00 0.00 52.86 53.62 2e4m s ASN 22 Cb 0.21 1.92 0.80 0.00 -0.55 0.00 0.00 41.25 43.64 2e4m s ASN 22 CO 0.36 -0.28 1.56 1.07 -2.79 0.00 0.00 177.10 177.01 2e4m n THR 23 N 5.24 1.04 0.60 -5.21 5.66 -1.26 -2.41 114.28 117.94 2e4m n THR 23 Ca 0.06 0.35 0.09 0.00 -3.05 0.00 0.00 64.05 61.50 2e4m n THR 23 Cb 0.54 -1.25 0.26 0.00 -1.55 0.00 0.00 70.33 68.33 2e4m n THR 23 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 2e4m n ASN 24 N -1.95 2.56 -4.46 1.09 3.02 -1.26 -4.81 115.26 109.45 2e4m n ASN 24 Ca 0.02 -1.92 -0.30 0.00 -0.03 0.00 0.00 54.58 52.34 2e4m n ASN 24 Cb 0.16 -0.26 -0.12 0.00 -0.61 0.00 0.00 39.78 38.94 2e4m n ASN 24 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2e4m s LYS 25 N -1.48 1.80 0.04 3.52 1.02 -1.01 -0.55 119.74 123.08 2e4m s LYS 25 Ca 0.34 -1.15 -0.01 0.00 0.02 0.00 0.00 55.97 55.18 2e4m s LYS 25 Cb 0.18 -2.09 -0.03 0.00 -0.52 0.00 0.00 37.83 35.37 2e4m s LYS 25 CO 0.25 0.49 -0.03 0.14 -0.92 0.00 0.00 175.35 175.29 2e4m s VAL 26 N -1.05 0.18 0.11 3.17 -7.23 -0.29 -4.17 120.40 111.12 2e4m s VAL 26 Ca 0.16 -1.44 -0.32 0.00 -1.81 0.00 0.00 61.98 58.56 2e4m s VAL 26 Cb -0.10 -1.01 -0.12 0.00 0.56 0.00 0.00 36.38 35.71 2e4m s VAL 26 CO 0.08 -0.80 1.78 -0.11 -0.31 0.00 0.00 175.10 175.74 2e4m n LEU 27 N 0.71 3.76 -3.79 1.32 7.94 0.12 -0.76 117.00 126.30 2e4m n LEU 27 Ca -0.18 1.01 -0.22 0.00 -1.11 0.00 0.00 56.01 55.51 2e4m n LEU 27 Cb 0.59 -1.50 -0.17 0.00 0.53 0.00 0.00 43.42 42.86 2e4m n LEU 27 CO 0.25 0.05 -0.38 -0.62 -1.11 0.00 0.00 177.39 175.57 2e4m s ASP 28 N 2.35 1.47 -0.41 1.96 -1.08 0.29 -4.47 116.67 116.78 2e4m s ASP 28 Ca 0.82 -0.09 -0.28 0.00 -0.52 0.00 0.00 52.55 52.48 2e4m s ASP 28 Cb -0.55 -0.43 -0.01 0.00 -1.46 0.00 0.00 42.92 40.47 2e4m s ASP 28 CO 0.39 -0.18 1.63 -0.75 0.52 0.00 0.00 175.17 176.78 2e4m s LYS 29 N 1.82 3.35 0.02 4.34 2.20 0.22 -1.53 119.74 130.16 2e4m s LYS 29 Ca 0.03 1.08 0.23 0.00 -0.36 0.00 0.00 55.97 56.94 2e4m s LYS 29 Cb -0.12 -4.15 0.09 0.00 -1.51 0.00 0.00 37.83 32.13 2e4m s LYS 29 CO -0.05 -1.85 1.09 0.44 -0.36 0.00 0.00 175.35 174.62 2e4m n ILE 30 N 7.23 0.06 -3.18 5.43 -5.35 0.01 -4.88 119.36 118.68 2e4m n ILE 30 Ca 0.19 -0.10 -0.01 0.00 -0.27 0.00 0.00 62.75 62.56 2e4m n ILE 30 Cb 0.48 0.46 0.00 0.00 -1.74 0.00 0.00 39.64 38.84 2e4m n ILE 30 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 2e4m n SER 31 N -1.69 -0.18 0.29 7.28 3.41 -1.23 -4.98 113.62 116.53 2e4m n SER 31 Ca 0.03 -1.14 0.17 0.00 -0.26 0.00 0.00 58.87 57.67 2e4m n SER 31 Cb 0.38 0.30 0.88 0.00 -0.26 0.00 0.00 64.21 65.51 2e4m n SER 31 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2e4m h GLN 32 N 0.00 0.00 0.00 4.33 4.20 -1.97 -3.32 115.11 118.35 2e4m h GLN 32 Ca -0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.68 2e4m h GLN 32 Cb 0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.88 2e4m h GLN 32 CO 0.03 0.05 -0.14 -1.13 -0.67 0.00 0.00 178.83 176.98 2e4m n SER 33 N -3.40 0.70 -4.66 1.46 3.41 -1.26 -4.87 113.62 104.99 2e4m n SER 33 Ca -0.02 -0.09 -0.31 0.00 -0.26 0.00 0.00 58.87 58.19 2e4m n SER 33 Cb 0.19 0.32 -0.09 0.00 -0.26 0.00 0.00 64.21 64.37 2e4m n SER 33 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2e4m s GLU 34 N -0.46 2.62 0.05 4.33 2.02 -1.25 -1.65 118.70 124.36 2e4m s GLU 34 Ca 0.00 -0.73 0.07 0.00 0.02 0.00 0.00 54.97 54.32 2e4m s GLU 34 Cb 0.00 -2.57 -0.03 0.00 0.10 0.00 0.00 34.13 31.63 2e4m s GLU 34 CO 0.00 0.58 -0.18 0.54 0.02 0.00 0.00 175.26 176.22 2e4m s VAL 35 N -1.15 1.47 0.14 2.63 0.11 -1.26 -0.81 120.40 121.53 2e4m s VAL 35 Ca 0.21 -1.18 -0.17 0.00 -2.93 0.00 0.00 61.98 57.91 2e4m s VAL 35 Cb -0.11 -1.31 0.04 0.00 -1.53 0.00 0.00 36.38 33.47 2e4m s VAL 35 CO 0.13 0.09 0.43 -0.75 -3.33 0.00 0.00 175.10 171.67 2e4m s LYS 36 N -1.28 1.13 0.40 1.54 2.20 -0.58 -4.67 119.74 118.48 2e4m s LYS 36 Ca 0.05 -0.71 -0.24 0.00 -0.36 0.00 0.00 55.97 54.71 2e4m s LYS 36 Cb -0.09 0.49 -0.09 0.00 -1.51 0.00 0.00 37.83 36.63 2e4m s LYS 36 CO 0.02 -0.45 1.08 -0.51 -0.36 0.00 0.00 175.35 175.12 2e4m s LEU 37 N -2.81 4.14 0.05 5.43 1.43 -0.09 -0.55 118.68 126.29 2e4m s LEU 37 Ca 0.04 2.11 -0.08 0.00 -1.03 0.00 0.00 54.13 55.16 2e4m s LEU 37 Cb 0.01 -4.15 -0.00 0.00 0.03 0.00 0.00 46.19 42.08 2e4m s LEU 37 CO -0.11 -0.55 0.17 0.86 0.23 0.00 0.00 176.35 176.95 2e4m s TRP 38 N -1.60 0.11 0.23 0.29 -0.11 0.06 -4.88 118.94 113.04 2e4m s TRP 38 Ca 0.58 -0.40 -0.30 0.00 1.22 0.00 0.00 56.10 57.20 2e4m s TRP 38 Cb -0.24 -0.06 -0.15 0.00 -1.50 0.00 0.00 33.47 31.52 2e4m s TRP 38 CO 0.30 -0.44 1.11 -1.71 -4.62 0.00 0.00 176.95 171.59 2e4m n ASN 39 N 0.53 1.45 -4.68 5.86 2.85 -1.26 -1.13 115.26 118.88 2e4m n ASN 39 Ca -0.18 1.16 -0.42 0.00 -0.11 0.00 0.00 54.58 55.03 2e4m n ASN 39 Cb 0.60 -1.27 -0.03 0.00 1.24 0.00 0.00 39.78 40.32 2e4m n ASN 39 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 2e4m s LYS 40 N -0.92 4.28 0.00 1.20 2.20 0.28 -4.74 119.74 122.04 2e4m s LYS 40 Ca 0.66 1.83 0.00 0.00 -0.36 0.00 0.00 55.97 58.10 2e4m s LYS 40 Cb -0.76 -3.66 0.00 0.00 -1.51 0.00 0.00 37.83 31.90 2e4m s LYS 40 CO 0.55 -0.60 0.13 1.28 -0.36 0.00 0.00 175.35 176.35 2e4m n LEU 41 N 5.81 0.25 -2.51 5.43 4.77 -1.26 -5.03 117.00 124.46 2e4m n LEU 41 Ca 0.13 -0.47 -0.20 0.00 -0.03 0.00 0.00 56.01 55.44 2e4m n LEU 41 Cb 0.45 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.53 2e4m n LEU 41 CO 0.57 0.06 -0.22 -1.20 -1.33 0.00 0.00 177.39 175.28 2e4m n SER 42 N -0.44 -5.78 -4.84 -1.43 7.64 -1.26 -5.01 113.62 102.51 2e4m n SER 42 Ca 0.00 -0.04 -0.32 0.00 1.01 0.00 0.00 58.87 59.52 2e4m n SER 42 Cb 0.03 -4.79 0.01 0.00 -1.01 0.00 0.00 64.21 58.45 2e4m n SER 42 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2e4m s GLY 43 N -2.15 1.83 0.58 0.23 0.00 -1.26 -4.97 107.32 101.57 2e4m s GLY 43 Ca 0.05 0.11 0.30 0.00 0.00 0.00 0.00 44.72 45.18 2e4m s GLY 43 CO 0.06 0.40 2.21 0.00 0.00 0.00 0.00 173.10 175.77 2e4m h ALA 44 N -0.03 1.40 0.00 3.20 0.00 -1.94 -0.98 119.26 120.91 2e4m h ALA 44 Ca -0.45 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2e4m h ALA 44 Cb 1.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2e4m h ALA 44 CO 0.59 0.05 0.00 0.27 0.00 0.00 0.00 179.25 180.16 2e4m n ASN 45 N -3.71 0.00 -0.87 0.00 2.04 -1.26 -2.51 115.26 108.95 2e4m n ASN 45 Ca -0.03 -0.77 0.08 0.00 -0.44 0.00 0.00 54.58 53.42 2e4m n ASN 45 Cb 0.13 -0.06 0.19 0.00 -2.53 0.00 0.00 39.78 37.51 2e4m n ASN 45 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2e4m n GLN 46 N -1.06 2.46 -5.16 -3.83 6.02 -0.37 -0.61 117.38 114.84 2e4m n GLN 46 Ca 0.21 -2.11 -0.32 0.00 -0.01 0.00 0.00 57.00 54.77 2e4m n GLN 46 Cb 0.13 -1.37 -0.15 0.00 1.02 0.00 0.00 30.24 29.86 2e4m n GLN 46 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2e4m s LYS 47 N -1.08 2.38 -0.08 -1.09 1.02 -1.04 -4.45 119.74 115.40 2e4m s LYS 47 Ca 0.30 -0.85 -0.01 0.00 0.02 0.00 0.00 55.97 55.43 2e4m s LYS 47 Cb 0.17 -2.19 0.03 0.00 -0.52 0.00 0.00 37.83 35.32 2e4m s LYS 47 CO 0.22 0.52 0.00 -1.58 -0.92 0.00 0.00 175.35 173.59 2e4m s TRP 48 N -0.49 0.69 0.03 3.18 0.52 -0.06 -1.57 118.94 121.24 2e4m s TRP 48 Ca 0.06 -0.20 -0.25 0.00 0.02 0.00 0.00 56.10 55.74 2e4m s TRP 48 Cb -0.11 -0.82 -0.05 0.00 -1.15 0.00 0.00 33.47 31.34 2e4m s TRP 48 CO 0.01 -0.34 0.77 0.50 0.02 0.00 0.00 176.95 177.91 2e4m s ARG 49 N 1.97 4.49 -0.19 4.98 3.52 0.40 -0.44 118.95 133.68 2e4m s ARG 49 Ca 0.05 1.06 -0.16 0.00 -0.13 0.00 0.00 55.73 56.54 2e4m s ARG 49 Cb -0.12 -3.38 -0.04 0.00 -1.56 0.00 0.00 34.95 29.85 2e4m s ARG 49 CO -0.05 0.23 0.41 -0.51 -0.81 0.00 0.00 175.30 174.57 2e4m s LEU 50 N 0.12 4.18 -0.18 -0.88 1.02 -0.50 -1.06 118.68 121.38 2e4m s LEU 50 Ca 0.39 0.57 0.01 0.00 0.02 0.00 0.00 54.13 55.12 2e4m s LEU 50 Cb -0.20 -2.55 0.04 0.00 0.02 0.00 0.00 46.19 43.50 2e4m s LEU 50 CO 0.23 -0.06 -0.11 -0.63 0.02 0.00 0.00 176.35 175.79 2e4m s ILE 51 N 1.18 1.57 0.21 -0.59 1.09 -0.51 0.58 121.20 124.73 2e4m s ILE 51 Ca 0.20 -0.87 -0.23 0.00 -1.10 0.00 0.00 60.65 58.66 2e4m s ILE 51 Cb -0.15 -1.61 -0.08 0.00 -1.06 0.00 0.00 42.46 39.56 2e4m s ILE 51 CO 0.08 0.24 0.77 -0.47 -0.10 0.00 0.00 174.94 175.47 2e4m s TYR 52 N 1.45 3.77 -0.30 3.97 5.04 -1.26 -0.82 117.35 129.18 2e4m s TYR 52 Ca 0.01 1.54 -0.05 0.00 -2.44 0.00 0.00 57.07 56.13 2e4m s TYR 52 Cb -0.15 -2.72 0.03 0.00 0.35 0.00 0.00 41.96 39.47 2e4m s TYR 52 CO -0.09 0.40 0.05 0.34 -1.34 0.00 0.00 175.55 174.92 2e4m s ASP 53 N -1.42 5.02 0.45 4.32 3.68 0.62 -4.96 116.67 124.38 2e4m s ASP 53 Ca 0.41 -0.98 0.22 0.00 2.13 0.00 0.00 52.55 54.32 2e4m s ASP 53 Cb -0.20 -1.81 1.04 0.00 -1.45 0.00 0.00 42.92 40.50 2e4m s ASP 53 CO 0.24 -0.24 1.91 0.71 0.13 0.00 0.00 175.17 177.92 2e4m h THR 54 N 6.11 0.79 -0.14 1.71 1.35 -1.97 0.99 112.91 121.76 2e4m h THR 54 Ca -0.27 -0.98 -0.18 0.00 -0.55 0.00 0.00 66.41 64.43 2e4m h THR 54 Cb 1.10 1.60 0.01 0.00 -1.73 0.00 0.00 68.15 69.12 2e4m h THR 54 CO 0.59 0.24 -0.61 0.78 -0.25 0.00 0.00 175.52 176.26 2e4m h ASN 55 N 0.00 0.78 1.41 5.36 2.35 -1.95 -3.30 115.58 120.23 2e4m h ASN 55 Ca -0.00 -0.62 -0.05 0.00 -0.55 0.00 0.00 56.30 55.07 2e4m h ASN 55 Cb 0.58 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 2e4m h ASN 55 CO 0.03 1.28 -0.61 0.11 -1.65 0.00 0.00 177.43 176.59 2e4m h LYS 56 N 0.34 0.00 -6.08 0.81 1.57 -1.92 -3.48 116.57 107.81 2e4m h LYS 56 Ca -0.04 0.00 -0.43 0.00 -1.87 0.00 0.00 60.65 58.32 2e4m h LYS 56 Cb 1.25 0.00 0.05 0.00 0.08 0.00 0.00 32.23 33.60 2e4m h LYS 56 CO 0.13 0.18 -0.76 1.04 -0.57 0.00 0.00 179.45 179.46 2e4m n GLN 57 N -2.99 -5.98 -4.01 3.15 6.02 0.32 -4.99 117.38 108.89 2e4m n GLN 57 Ca 0.00 0.68 -0.09 0.00 -0.01 0.00 0.00 57.00 57.58 2e4m n GLN 57 Cb 0.64 -5.52 -0.06 0.00 1.02 0.00 0.00 30.24 26.32 2e4m n GLN 57 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2e4m s ALA 58 N -3.42 -0.12 0.10 -1.58 0.00 -1.20 -4.73 121.76 110.81 2e4m s ALA 58 Ca 0.38 -0.95 0.08 0.00 0.00 0.00 0.00 51.96 51.48 2e4m s ALA 58 Cb -0.18 1.09 -0.03 0.00 0.00 0.00 0.00 23.12 24.00 2e4m s ALA 58 CO 0.79 -0.83 -0.21 0.71 0.00 0.00 0.00 175.76 176.23 2e4m s TYR 59 N -4.03 1.78 0.23 0.00 1.51 -0.51 -0.27 117.35 116.06 2e4m s TYR 59 Ca 0.24 -0.41 -0.06 0.00 -1.01 0.00 0.00 57.07 55.82 2e4m s TYR 59 Cb 0.00 -0.98 -0.06 0.00 -0.11 0.00 0.00 41.96 40.81 2e4m s TYR 59 CO 0.09 0.19 0.50 0.95 -1.11 0.00 0.00 175.55 176.18 2e4m s THR 60 N -1.13 5.04 -0.27 -0.71 -4.23 -0.00 -0.76 115.64 113.58 2e4m s THR 60 Ca 0.06 0.15 0.00 0.00 -1.18 0.00 0.00 61.69 60.73 2e4m s THR 60 Cb -0.10 -3.67 0.08 0.00 1.34 0.00 0.00 72.50 70.15 2e4m s THR 60 CO 0.04 -0.15 0.02 -0.63 -0.54 0.00 0.00 174.62 173.35 2e4m s ILE 61 N -1.89 1.36 -0.17 2.99 1.01 -1.26 -1.43 121.20 121.82 2e4m s ILE 61 Ca 0.44 -1.39 -0.03 0.00 0.00 0.00 0.00 60.65 59.68 2e4m s ILE 61 Cb -0.11 -1.83 -0.02 0.00 0.01 0.00 0.00 42.46 40.51 2e4m s ILE 61 CO 0.26 -0.36 -0.07 -0.75 0.00 0.00 0.00 174.94 174.03 2e4m s LYS 62 N 1.42 3.50 0.68 2.79 2.20 -0.22 -0.86 119.74 129.25 2e4m s LYS 62 Ca 0.02 -0.60 -0.14 0.00 -0.36 0.00 0.00 55.97 54.88 2e4m s LYS 62 Cb -0.18 -2.86 0.01 0.00 -1.51 0.00 0.00 37.83 33.29 2e4m s LYS 62 CO -0.12 0.11 1.11 0.54 -0.36 0.00 0.00 175.35 176.63 2e4m s VAL 63 N 0.67 3.21 -0.21 4.02 0.11 -0.43 -0.45 120.40 127.32 2e4m s VAL 63 Ca -0.04 0.54 0.13 0.00 -2.93 0.00 0.00 61.98 59.68 2e4m s VAL 63 Cb -0.15 -3.06 0.42 0.00 -1.53 0.00 0.00 36.38 32.07 2e4m s VAL 63 CO 0.02 -0.37 1.28 0.23 -3.33 0.00 0.00 175.10 172.94 2e4m n MET 64 N -2.56 1.68 -1.06 1.54 0.00 -0.61 -4.32 117.12 111.81 2e4m n MET 64 Ca 0.10 -3.09 -0.16 0.00 0.00 0.00 0.00 57.70 54.56 2e4m n MET 64 Cb 0.52 -1.66 0.20 0.00 0.00 0.00 0.00 33.22 32.29 2e4m n MET 64 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 2e4m n ASP 65 N -1.14 4.01 -1.28 7.83 5.75 -1.21 -1.67 116.55 128.83 2e4m n ASP 65 Ca 0.22 -3.34 -0.11 0.00 -0.01 0.00 0.00 54.79 51.55 2e4m n ASP 65 Cb 0.78 -0.78 -0.01 0.00 -1.03 0.00 0.00 41.12 40.08 2e4m n ASP 65 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2e4m n ASN 66 N -0.68 -3.73 -0.00 -1.12 4.05 -0.07 -4.89 115.26 108.82 2e4m n ASN 66 Ca 0.49 0.00 0.03 0.00 0.45 0.00 0.00 54.58 55.55 2e4m n ASN 66 Cb 1.48 -2.92 -0.04 0.00 1.23 0.00 0.00 39.78 39.53 2e4m n ASN 66 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 177.26 174.56 2e4m n THR 67 N -3.94 0.00 -1.04 -0.44 -2.24 -1.26 -5.02 114.28 100.34 2e4m n THR 67 Ca -0.13 -0.12 -0.01 0.00 -2.27 0.00 0.00 64.05 61.51 2e4m n THR 67 Cb 0.59 0.37 -0.01 0.00 -2.10 0.00 0.00 70.33 69.19 2e4m n THR 67 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2e4m n SER 68 N -1.69 -3.97 -4.85 3.42 7.64 -1.26 -4.99 113.62 107.92 2e4m n SER 68 Ca -0.01 0.03 -0.32 0.00 1.01 0.00 0.00 58.87 59.58 2e4m n SER 68 Cb 0.14 -1.59 -0.03 0.00 -1.01 0.00 0.00 64.21 61.72 2e4m n SER 68 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2e4m s LEU 69 N -0.30 3.65 0.09 -3.43 1.43 -1.26 -4.55 118.68 114.31 2e4m s LEU 69 Ca 0.00 1.51 0.08 0.00 -1.03 0.00 0.00 54.13 54.69 2e4m s LEU 69 Cb 0.00 -4.44 -0.03 0.00 0.03 0.00 0.00 46.19 41.74 2e4m s LEU 69 CO 0.00 -0.56 -0.20 0.27 0.23 0.00 0.00 176.35 176.08 2e4m s ILE 70 N -2.59 1.65 0.12 -0.59 -4.36 0.59 -1.31 121.20 114.70 2e4m s ILE 70 Ca 0.58 -1.49 -0.31 0.00 -0.26 0.00 0.00 60.65 59.17 2e4m s ILE 70 Cb -0.10 -1.50 -0.10 0.00 1.25 0.00 0.00 42.46 42.01 2e4m s ILE 70 CO 0.31 -0.05 1.83 -0.22 0.24 0.00 0.00 174.94 177.05 2e4m s LEU 71 N -1.83 4.40 -0.04 0.37 2.96 -0.04 -1.32 118.68 123.18 2e4m s LEU 71 Ca 0.06 2.75 0.01 0.00 -0.22 0.00 0.00 54.13 56.73 2e4m s LEU 71 Cb -0.10 -3.56 0.02 0.00 0.50 0.00 0.00 46.19 43.05 2e4m s LEU 71 CO 0.04 -1.01 -0.06 -0.89 -1.32 0.00 0.00 176.35 173.12 2e4m s THR 72 N 2.85 0.60 -0.29 3.68 2.01 0.85 -4.61 115.64 120.73 2e4m s THR 72 Ca 0.81 -0.18 -0.24 0.00 0.31 0.00 0.00 61.69 62.40 2e4m s THR 72 Cb -0.46 -0.60 -0.00 0.00 0.01 0.00 0.00 72.50 71.45 2e4m s THR 72 CO 0.37 0.23 0.81 0.86 -0.69 0.00 0.00 174.62 176.20 2e4m s TRP 73 N 0.79 3.23 -1.11 4.92 -0.00 -0.64 -0.73 118.94 125.39 2e4m s TRP 73 Ca -0.11 0.92 -0.08 0.00 -0.00 0.00 0.00 56.10 56.83 2e4m s TRP 73 Cb -0.14 -3.20 -0.11 0.00 -0.00 0.00 0.00 33.47 30.02 2e4m s TRP 73 CO 0.01 -0.53 2.77 -0.25 -0.00 0.00 0.00 176.95 178.95 2e4m n ASP 74 N 6.19 6.88 -4.60 5.86 8.00 -0.64 -4.84 116.55 133.41 2e4m n ASP 74 Ca 0.05 -2.46 -0.44 0.00 0.71 0.00 0.00 54.79 52.65 2e4m n ASP 74 Cb 0.48 -1.36 -0.01 0.00 -0.02 0.00 0.00 41.12 40.21 2e4m n ASP 74 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2e4m n ALA 75 N 3.55 -0.08 0.86 2.24 0.00 -1.26 -1.80 120.51 124.02 2e4m n ALA 75 Ca 0.61 0.35 0.08 0.00 0.00 0.00 0.00 53.44 54.49 2e4m n ALA 75 Cb 0.31 -2.04 0.25 0.00 0.00 0.00 0.00 19.45 17.98 2e4m n ALA 75 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2e4m n PRO 76 N 0.60 1.91 -1.63 0.00 -0.04 -1.26 -5.10 135.00 129.49 2e4m n PRO 76 Ca 0.09 -1.39 -0.29 0.00 -0.04 0.00 0.00 63.50 61.86 2e4m n PRO 76 Cb 0.34 -1.36 0.17 0.00 -0.04 0.00 0.00 33.50 32.61 2e4m n PRO 76 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2e4m s LEU 77 N -1.24 2.04 0.00 1.53 1.43 -0.74 -4.99 118.68 116.71 2e4m s LEU 77 Ca 0.30 0.60 0.26 0.00 -1.03 0.00 0.00 54.13 54.26 2e4m s LEU 77 Cb 0.16 -2.70 0.61 0.00 0.03 0.00 0.00 46.19 44.30 2e4m s LEU 77 CO 0.22 -2.91 1.48 -1.54 0.23 0.00 0.00 176.35 173.83 2e4m n SER 78 N -3.94 1.35 -4.91 2.29 3.41 -1.26 -4.68 113.62 105.88 2e4m n SER 78 Ca 0.12 -1.13 -0.27 0.00 -0.26 0.00 0.00 58.87 57.32 2e4m n SER 78 Cb 0.60 0.19 0.02 0.00 -0.26 0.00 0.00 64.21 64.76 2e4m n SER 78 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2e4m s SER 79 N -2.42 5.76 0.13 4.04 1.04 -1.26 -0.38 113.70 120.61 2e4m s SER 79 Ca 0.25 0.86 0.06 0.00 0.48 0.00 0.00 55.95 57.59 2e4m s SER 79 Cb 0.19 -1.90 -0.04 0.00 0.10 0.00 0.00 66.02 64.38 2e4m s SER 79 CO 0.50 -0.98 -0.14 0.68 0.98 0.00 0.00 173.24 174.28 2e4m s VAL 80 N -2.99 1.38 0.27 5.02 -7.23 -1.26 -1.63 120.40 113.96 2e4m s VAL 80 Ca 0.53 -1.76 -0.00 0.00 -1.81 0.00 0.00 61.98 58.94 2e4m s VAL 80 Cb -0.11 -1.58 0.00 0.00 0.56 0.00 0.00 36.38 35.25 2e4m s VAL 80 CO 0.46 -0.42 0.35 -1.54 -0.31 0.00 0.00 175.10 173.64 2e4m n SER 81 N 0.46 -0.98 -4.64 4.85 3.41 0.09 -4.63 113.62 112.18 2e4m n SER 81 Ca -0.15 -2.51 -0.35 0.00 -0.26 0.00 0.00 58.87 55.60 2e4m n SER 81 Cb 0.57 1.87 -0.10 0.00 -0.26 0.00 0.00 64.21 66.29 2e4m n SER 81 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2e4m s VAL 82 N -2.78 4.38 0.17 -3.33 -7.23 -0.66 -0.11 120.40 110.84 2e4m s VAL 82 Ca 0.24 -0.20 -0.09 0.00 -1.81 0.00 0.00 61.98 60.12 2e4m s VAL 82 Cb -0.00 -2.89 -0.01 0.00 0.56 0.00 0.00 36.38 34.03 2e4m s VAL 82 CO 0.17 0.55 0.29 -0.54 -0.31 0.00 0.00 175.10 175.26 2e4m s LYS 83 N -0.32 1.18 0.37 4.82 1.02 -0.44 -4.54 119.74 121.83 2e4m s LYS 83 Ca 0.07 -1.18 -0.26 0.00 0.02 0.00 0.00 55.97 54.62 2e4m s LYS 83 Cb -0.12 0.38 -0.12 0.00 -0.52 0.00 0.00 37.83 37.45 2e4m s LYS 83 CO 0.02 -0.44 1.07 2.41 -0.92 0.00 0.00 175.35 177.49 2e4m n THR 84 N -0.23 2.23 -2.32 2.17 -1.04 -1.26 -0.30 114.28 113.53 2e4m n THR 84 Ca -0.07 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 61.02 2e4m n THR 84 Cb 0.63 -1.20 -0.02 0.00 -1.82 0.00 0.00 70.33 67.91 2e4m n THR 84 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2e4m s ASP 85 N -0.60 6.21 -0.04 8.00 -1.08 -1.26 -4.82 116.67 123.08 2e4m s ASP 85 Ca 0.60 0.71 0.10 0.00 -0.52 0.00 0.00 52.55 53.44 2e4m s ASP 85 Cb -0.60 -2.54 0.29 0.00 -1.46 0.00 0.00 42.92 38.61 2e4m s ASP 85 CO 0.59 -1.56 1.23 0.35 0.52 0.00 0.00 175.17 176.30 2e4m n THR 86 N 7.06 1.31 -1.12 1.71 -2.24 -1.26 -4.99 114.28 114.75 2e4m n THR 86 Ca 0.16 -1.25 -0.04 0.00 -2.27 0.00 0.00 64.05 60.65 2e4m n THR 86 Cb 0.48 0.31 -0.02 0.00 -2.10 0.00 0.00 70.33 69.00 2e4m n THR 86 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2e4m n ASN 87 N -0.01 -4.54 -4.86 3.42 5.15 -1.26 -5.01 115.26 108.16 2e4m n ASN 87 Ca 0.11 0.10 -0.32 0.00 -0.60 0.00 0.00 54.58 53.88 2e4m n ASN 87 Cb 0.50 -2.40 -0.05 0.00 -0.53 0.00 0.00 39.78 37.30 2e4m n ASN 87 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2e4m s THR 88 N -1.80 4.67 0.30 -0.44 -4.23 -1.26 -4.97 115.64 107.91 2e4m s THR 88 Ca 0.00 0.91 0.30 0.00 -1.18 0.00 0.00 61.69 61.72 2e4m s THR 88 Cb 0.00 -3.67 0.32 0.00 1.34 0.00 0.00 72.50 70.49 2e4m s THR 88 CO 0.00 -0.40 2.03 0.78 -0.54 0.00 0.00 174.62 176.49 2e4m h ASN 89 N 1.64 0.00 0.62 3.99 -0.26 -1.96 -1.47 115.58 118.14 2e4m h ASN 89 Ca -0.48 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.26 2e4m h ASN 89 Cb 1.18 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.44 2e4m h ASN 89 CO 0.64 0.10 0.00 -0.46 -1.06 0.00 0.00 177.43 176.65 2e4m n ASN 90 N -3.38 0.00 -1.16 5.81 6.94 -1.26 -2.25 115.26 119.97 2e4m n ASN 90 Ca -0.01 0.37 0.12 0.00 -0.02 0.00 0.00 54.58 55.04 2e4m n ASN 90 Cb 0.28 -0.45 0.23 0.00 -2.36 0.00 0.00 39.78 37.48 2e4m n ASN 90 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2e4m n GLN 91 N -1.45 2.51 -4.32 -3.83 6.02 -0.55 -1.61 117.38 114.15 2e4m n GLN 91 Ca 0.06 -2.29 -0.32 0.00 -0.01 0.00 0.00 57.00 54.44 2e4m n GLN 91 Cb 0.22 -1.52 -0.09 0.00 1.02 0.00 0.00 30.24 29.87 2e4m n GLN 91 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 2e4m s TYR 92 N -1.48 3.03 -0.05 1.08 1.51 -1.03 -4.49 117.35 115.92 2e4m s TYR 92 Ca 0.39 0.05 0.01 0.00 -1.01 0.00 0.00 57.07 56.51 2e4m s TYR 92 Cb 0.23 -1.65 0.02 0.00 -0.11 0.00 0.00 41.96 40.45 2e4m s TYR 92 CO 0.32 0.44 -0.04 -1.58 -1.11 0.00 0.00 175.55 173.58 2e4m s TRP 93 N -1.06 0.74 0.24 2.71 0.52 0.06 -1.11 118.94 121.04 2e4m s TRP 93 Ca 0.19 -0.21 -0.30 0.00 0.02 0.00 0.00 56.10 55.80 2e4m s TRP 93 Cb -0.11 -0.70 -0.09 0.00 -1.15 0.00 0.00 33.47 31.42 2e4m s TRP 93 CO 0.10 -0.22 1.30 0.71 0.02 0.00 0.00 176.95 178.85 2e4m s TYR 94 N 1.12 3.23 -0.42 -1.98 2.02 0.16 -1.42 117.35 120.07 2e4m s TYR 94 Ca -0.08 1.30 -0.05 0.00 -0.37 0.00 0.00 57.07 57.87 2e4m s TYR 94 Cb -0.14 -3.60 0.10 0.00 -0.40 0.00 0.00 41.96 37.93 2e4m s TYR 94 CO -0.01 -1.79 0.23 -0.51 -1.57 0.00 0.00 175.55 171.90 2e4m s LEU 95 N -0.59 5.25 -0.19 -1.29 1.43 -1.26 -1.00 118.68 121.03 2e4m s LEU 95 Ca 0.54 -1.88 -0.02 0.00 -1.03 0.00 0.00 54.13 51.73 2e4m s LEU 95 Cb -0.37 -1.88 -0.01 0.00 0.03 0.00 0.00 46.19 43.96 2e4m s LEU 95 CO 0.42 -0.56 -0.08 -0.76 0.23 0.00 0.00 176.35 175.60 2e4m s LEU 96 N 1.24 2.80 -0.06 1.79 1.43 -0.99 -4.97 118.68 119.92 2e4m s LEU 96 Ca 0.06 -0.38 0.03 0.00 -1.03 0.00 0.00 54.13 52.81 2e4m s LEU 96 Cb -0.23 -1.68 -0.02 0.00 0.03 0.00 0.00 46.19 44.28 2e4m s LEU 96 CO -0.02 0.04 -0.13 -1.58 0.23 0.00 0.00 176.35 174.89 2e4m s GLN 97 N 1.08 2.67 -0.12 1.70 0.74 -1.26 -1.30 119.66 123.17 2e4m s GLN 97 Ca 0.01 -0.68 -0.28 0.00 0.05 0.00 0.00 55.36 54.46 2e4m s GLN 97 Cb -0.15 -2.44 -0.01 0.00 1.10 0.00 0.00 33.01 31.51 2e4m s GLN 97 CO -0.01 0.56 0.96 0.34 -0.55 0.00 0.00 175.29 176.59 2e4m s ASP 98 N -0.57 7.17 0.12 6.67 3.68 0.38 -4.99 116.67 129.14 2e4m s ASP 98 Ca 0.08 1.44 -0.20 0.00 2.13 0.00 0.00 52.55 56.00 2e4m s ASP 98 Cb -0.11 -2.53 -0.04 0.00 -1.45 0.00 0.00 42.92 38.79 2e4m s ASP 98 CO 0.01 -0.43 1.74 0.22 0.13 0.00 0.00 175.17 176.84 2e4m h TYR 99 N 7.15 0.06 0.06 -5.34 3.20 -1.95 -0.91 116.97 119.24 2e4m h TYR 99 Ca -0.30 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.49 2e4m h TYR 99 Cb 1.14 0.00 0.01 0.00 1.54 0.00 0.00 36.73 39.42 2e4m h TYR 99 CO 0.71 0.02 -0.40 0.82 -1.64 0.00 0.00 178.16 177.68 2e4m h ILE 100 N 0.11 1.63 0.00 1.81 2.04 -1.97 -3.32 117.51 117.81 2e4m h ILE 100 Ca 0.09 -2.35 -0.01 0.00 1.00 0.00 0.00 64.86 63.59 2e4m h ILE 100 Cb 0.08 3.18 -0.00 0.00 -0.74 0.00 0.00 36.82 39.35 2e4m h ILE 100 CO -0.12 0.64 -0.04 0.77 0.00 0.00 0.00 178.15 179.40 2e4m h SER 101 N -0.63 0.00 0.00 1.72 4.64 -2.00 -3.47 113.55 113.81 2e4m h SER 101 Ca -0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 2e4m h SER 101 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 2e4m h SER 101 CO 0.07 0.04 0.00 0.54 -0.87 0.00 0.00 176.83 176.62 2e4m n ARG 102 N -3.13 -0.45 -2.12 4.77 5.12 -0.35 -5.00 116.66 115.50 2e4m n ARG 102 Ca 0.02 0.11 -0.39 0.00 -1.93 0.00 0.00 57.85 55.67 2e4m n ARG 102 Cb 0.44 -3.93 -0.00 0.00 -1.16 0.00 0.00 32.46 27.80 2e4m n ARG 102 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 2e4m s ASN 103 N -2.24 6.21 -0.03 0.55 0.02 -1.24 -4.70 114.94 113.50 2e4m s ASN 103 Ca 0.00 2.52 0.04 0.00 -1.02 0.00 0.00 52.86 54.40 2e4m s ASN 103 Cb 0.00 -2.62 -0.00 0.00 0.02 0.00 0.00 41.25 38.64 2e4m s ASN 103 CO 0.00 -0.91 -0.15 -0.69 0.02 0.00 0.00 177.10 175.37 2e4m s VAL 104 N -1.36 1.25 0.03 1.60 1.01 0.72 -0.47 120.40 123.18 2e4m s VAL 104 Ca 0.60 -0.63 -0.02 0.00 0.00 0.00 0.00 61.98 61.93 2e4m s VAL 104 Cb -0.35 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 2e4m s VAL 104 CO 0.43 0.36 0.21 0.27 0.00 0.00 0.00 175.10 176.38 2e4m s ILE 105 N -0.03 5.39 -0.40 2.22 -4.36 -0.42 -0.86 121.20 122.75 2e4m s ILE 105 Ca -0.01 -0.20 -0.07 0.00 -0.26 0.00 0.00 60.65 60.10 2e4m s ILE 105 Cb -0.10 -3.58 0.08 0.00 1.25 0.00 0.00 42.46 40.11 2e4m s ILE 105 CO 0.01 0.24 0.21 -0.76 0.24 0.00 0.00 174.94 174.89 2e4m s LEU 106 N -2.18 4.99 -0.19 0.37 1.02 -1.26 -2.34 118.68 119.09 2e4m s LEU 106 Ca 0.31 -1.55 -0.07 0.00 0.02 0.00 0.00 54.13 52.84 2e4m s LEU 106 Cb -0.13 -1.92 -0.04 0.00 0.02 0.00 0.00 46.19 44.12 2e4m s LEU 106 CO 0.22 -0.50 0.04 -0.60 0.02 0.00 0.00 176.35 175.54 2e4m s ARG 107 N 1.35 3.83 0.20 1.70 3.52 -0.17 -0.98 118.95 128.40 2e4m s ARG 107 Ca 0.03 -0.41 -0.30 0.00 -0.13 0.00 0.00 55.73 54.91 2e4m s ARG 107 Cb -0.22 -3.18 -0.09 0.00 -1.56 0.00 0.00 34.95 29.90 2e4m s ARG 107 CO 0.01 0.15 1.29 1.21 -0.81 0.00 0.00 175.30 177.14 2e4m s ASN 108 N 0.68 6.93 0.15 -2.12 2.47 -0.51 0.37 114.94 122.91 2e4m s ASN 108 Ca 0.02 2.37 -0.12 0.00 0.42 0.00 0.00 52.86 55.55 2e4m s ASN 108 Cb -0.13 -2.61 0.00 0.00 -1.45 0.00 0.00 41.25 37.06 2e4m s ASN 108 CO 0.02 -0.50 1.57 0.22 -3.72 0.00 0.00 177.10 174.69 2e4m h TYR 109 N 5.31 0.99 -0.46 0.43 5.03 -1.27 -1.74 116.97 125.26 2e4m h TYR 109 Ca -0.45 -0.20 -0.01 0.00 2.58 0.00 0.00 58.73 60.65 2e4m h TYR 109 Cb 1.21 -0.25 -0.02 0.00 1.55 0.00 0.00 36.73 39.23 2e4m h TYR 109 CO 0.62 0.96 0.23 1.98 -1.32 0.00 0.00 178.16 180.63 2e4m h MET 110 N 0.74 0.66 -2.85 1.82 4.05 -1.68 -3.37 114.93 114.29 2e4m h MET 110 Ca 0.12 -0.09 -0.60 0.00 -0.28 0.00 0.00 59.70 58.85 2e4m h MET 110 Cb 0.62 -0.12 -0.40 0.00 -0.80 0.00 0.00 31.60 30.90 2e4m h MET 110 CO 0.04 0.55 -0.77 1.21 0.23 0.00 0.00 176.91 178.16 2e4m s ASN 111 N -5.82 3.42 0.00 1.39 3.84 -1.22 -5.00 114.94 111.56 2e4m s ASN 111 Ca -0.13 -2.46 0.15 0.00 0.21 0.00 0.00 52.86 50.62 2e4m s ASN 111 Cb 0.11 -0.82 0.87 0.00 -0.55 0.00 0.00 41.25 40.86 2e4m s ASN 111 CO 0.75 -0.28 1.29 -0.81 -2.79 0.00 0.00 177.10 175.26 2e4m n PRO 112 N 3.73 0.45 0.31 0.43 -0.04 -0.66 -0.80 135.00 138.42 2e4m n PRO 112 Ca 0.10 0.00 0.18 0.00 -0.04 0.00 0.00 63.50 63.74 2e4m n PRO 112 Cb 0.35 -1.50 1.02 0.00 -0.04 0.00 0.00 33.50 33.33 2e4m n PRO 112 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 2e4m h ASN 113 N 0.00 0.00 -3.68 3.54 -0.26 -1.94 -3.46 115.58 109.78 2e4m h ASN 113 Ca 0.00 0.00 -0.68 0.00 -0.56 0.00 0.00 56.30 55.06 2e4m h ASN 113 Cb 0.00 0.00 -0.20 0.00 -1.06 0.00 0.00 38.32 37.07 2e4m h ASN 113 CO 0.00 0.01 -0.70 -0.76 -1.06 0.00 0.00 177.43 174.92 2e4m s LEU 114 N -7.01 3.13 0.18 1.61 1.43 0.02 -4.16 118.68 113.88 2e4m s LEU 114 Ca -0.05 -0.05 0.09 0.00 -1.03 0.00 0.00 54.13 53.10 2e4m s LEU 114 Cb 0.14 -1.68 -0.04 0.00 0.03 0.00 0.00 46.19 44.64 2e4m s LEU 114 CO 0.50 0.35 -0.18 0.68 0.23 0.00 0.00 176.35 177.93 2e4m s VAL 115 N -0.74 1.90 0.35 -1.59 -7.23 -0.31 -1.42 120.40 111.36 2e4m s VAL 115 Ca 0.11 -2.02 -0.28 0.00 -1.81 0.00 0.00 61.98 57.98 2e4m s VAL 115 Cb -0.11 -1.94 -0.11 0.00 0.56 0.00 0.00 36.38 34.78 2e4m s VAL 115 CO 0.01 -0.36 1.45 -0.22 -0.31 0.00 0.00 175.10 175.68 2e4m s LEU 116 N -2.86 4.35 -0.01 1.32 2.96 -0.15 -1.01 118.68 123.28 2e4m s LEU 116 Ca 0.19 2.93 0.01 0.00 -0.22 0.00 0.00 54.13 57.03 2e4m s LEU 116 Cb -0.05 -3.66 0.01 0.00 0.50 0.00 0.00 46.19 42.99 2e4m s LEU 116 CO 0.08 -0.79 -0.01 -1.58 -1.32 0.00 0.00 176.35 172.73 2e4m s GLN 117 N -1.78 0.20 -0.16 1.98 0.74 0.10 -4.56 119.66 116.18 2e4m s GLN 117 Ca 0.53 -0.01 -0.08 0.00 0.05 0.00 0.00 55.36 55.84 2e4m s GLN 117 Cb -0.45 -0.27 -0.04 0.00 1.10 0.00 0.00 33.01 33.35 2e4m s GLN 117 CO 0.58 -0.02 0.12 1.52 -0.55 0.00 0.00 175.29 176.94 2e4m s TYR 118 N 0.34 3.46 0.48 1.67 1.13 -0.51 -1.26 117.35 122.67 2e4m s TYR 118 Ca -0.03 0.38 0.05 0.00 -1.41 0.00 0.00 57.07 56.06 2e4m s TYR 118 Cb -0.06 -2.05 0.02 0.00 -1.10 0.00 0.00 41.96 38.78 2e4m s TYR 118 CO -0.01 0.47 0.67 -0.80 -2.51 0.00 0.00 175.55 173.36 2e4m s ASN 119 N -0.26 5.47 0.42 -0.18 0.02 -0.18 -4.80 114.94 115.43 2e4m s ASN 119 Ca 0.11 -0.26 0.29 0.00 -1.02 0.00 0.00 52.86 51.98 2e4m s ASN 119 Cb -0.12 -0.72 1.27 0.00 0.02 0.00 0.00 41.25 41.71 2e4m s ASN 119 CO 0.01 -0.95 1.87 0.71 0.02 0.00 0.00 177.10 178.76 2e4m h THR 120 N 0.38 0.00 -0.37 1.60 1.35 -2.00 -1.87 112.91 112.00 2e4m h THR 120 Ca -0.41 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.14 2e4m h THR 120 Cb 1.29 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.86 2e4m h THR 120 CO 0.48 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.85 2e4m n ASP 121 N -2.66 3.07 0.00 5.36 3.85 -1.26 -4.91 116.55 120.00 2e4m n ASP 121 Ca 0.01 -2.30 0.00 0.00 -0.71 0.00 0.00 54.79 51.79 2e4m n ASP 121 Cb 0.23 -0.47 0.00 0.00 -1.35 0.00 0.00 41.12 39.54 2e4m n ASP 121 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 2e4m n ASP 122 N 0.52 -2.24 -4.85 -1.12 8.00 -0.70 -5.00 116.55 111.16 2e4m n ASP 122 Ca 0.15 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.33 2e4m n ASP 122 Cb 0.60 -1.93 -0.01 0.00 -0.02 0.00 0.00 41.12 39.76 2e4m n ASP 122 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2e4m s THR 123 N -1.78 4.50 -0.07 -3.53 -4.23 -1.26 -0.91 115.64 108.37 2e4m s THR 123 Ca 0.00 1.02 0.03 0.00 -1.18 0.00 0.00 61.69 61.55 2e4m s THR 123 Cb 0.00 -3.73 -0.02 0.00 1.34 0.00 0.00 72.50 70.09 2e4m s THR 123 CO 0.00 -0.86 -0.14 -0.76 -0.54 0.00 0.00 174.62 172.32 2e4m s LEU 124 N -4.64 2.76 0.24 4.79 1.43 -1.26 -1.01 118.68 120.99 2e4m s LEU 124 Ca 0.58 -0.21 0.01 0.00 -1.03 0.00 0.00 54.13 53.48 2e4m s LEU 124 Cb -0.11 -1.57 -0.04 0.00 0.03 0.00 0.00 46.19 44.50 2e4m s LEU 124 CO 0.42 0.31 0.17 0.27 0.23 0.00 0.00 176.35 177.75 2e4m s ILE 125 N -0.52 0.05 0.17 -0.59 -4.36 -0.39 -4.31 121.20 111.25 2e4m s ILE 125 Ca 0.07 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.48 2e4m s ILE 125 Cb -0.12 -2.51 -0.04 0.00 1.25 0.00 0.00 42.46 41.05 2e4m s ILE 125 CO 0.02 0.00 0.32 0.68 0.24 0.00 0.00 174.94 176.20 2e4m s VAL 126 N -3.92 5.29 0.07 8.37 -7.23 0.49 -0.72 120.40 122.74 2e4m s VAL 126 Ca 0.39 -0.61 -0.19 0.00 -1.81 0.00 0.00 61.98 59.76 2e4m s VAL 126 Cb 0.06 -3.75 0.04 0.00 0.56 0.00 0.00 36.38 33.29 2e4m s VAL 126 CO 0.16 -0.14 0.44 -0.55 -0.31 0.00 0.00 175.10 174.71 2e4m s SER 127 N -3.27 -0.31 1.02 4.85 0.15 -0.18 -4.89 113.70 111.07 2e4m s SER 127 Ca 0.36 -0.03 -0.12 0.00 0.70 0.00 0.00 55.95 56.86 2e4m s SER 127 Cb -0.11 0.45 0.20 0.00 -1.71 0.00 0.00 66.02 64.86 2e4m s SER 127 CO 0.29 -0.73 1.08 0.42 1.20 0.00 0.00 173.24 175.50 2e4m s THR 128 N -2.79 2.23 0.11 6.45 -4.23 -1.26 -1.16 115.64 114.99 2e4m s THR 128 Ca -0.03 0.07 -0.18 0.00 -1.18 0.00 0.00 61.69 60.37 2e4m s THR 128 Cb -0.00 -2.32 -0.07 0.00 1.34 0.00 0.00 72.50 71.45 2e4m s THR 128 CO -0.05 -0.10 0.58 -1.10 -0.54 0.00 0.00 174.62 173.42 2e4m s GLN 129 N -4.71 4.14 0.22 3.99 -0.21 -1.26 -4.82 119.66 117.01 2e4m s GLN 129 Ca 0.66 0.68 0.04 0.00 0.02 0.00 0.00 55.36 56.76 2e4m s GLN 129 Cb -0.22 -3.11 -0.01 0.00 1.00 0.00 0.00 33.01 30.67 2e4m s GLN 129 CO 0.60 0.56 0.14 0.25 -2.12 0.00 0.00 175.29 174.73 2e4m n THR 130 N 1.33 0.00 1.08 -0.19 -2.24 -1.26 -5.04 114.28 107.96 2e4m n THR 130 Ca -0.08 -1.49 0.09 0.00 -2.27 0.00 0.00 64.05 60.31 2e4m n THR 130 Cb 0.51 0.67 0.31 0.00 -2.10 0.00 0.00 70.33 69.72 2e4m n THR 130 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2e4m n ASN 131 N -2.02 1.83 -4.79 3.42 4.13 -1.26 -4.96 115.26 111.60 2e4m n ASN 131 Ca 0.02 -1.80 -0.37 0.00 1.68 0.00 0.00 54.58 54.11 2e4m n ASN 131 Cb 0.37 -0.15 -0.06 0.00 -1.54 0.00 0.00 39.78 38.40 2e4m n ASN 131 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 2e4m s SER 132 N -1.41 7.27 0.00 6.41 0.15 -1.26 -4.93 113.70 119.92 2e4m s SER 132 Ca 0.31 1.71 0.12 0.00 0.70 0.00 0.00 55.95 58.78 2e4m s SER 132 Cb 0.16 -2.53 0.56 0.00 -1.71 0.00 0.00 66.02 62.50 2e4m s SER 132 CO 0.24 -0.02 1.33 -0.46 1.20 0.00 0.00 173.24 175.53 2e4m n ASN 133 N 0.67 0.00 0.00 5.45 2.04 -1.26 -2.60 115.26 119.55 2e4m n ASN 133 Ca 0.00 0.30 0.07 0.00 -0.44 0.00 0.00 54.58 54.51 2e4m n ASN 133 Cb 0.50 -0.39 0.44 0.00 -2.53 0.00 0.00 39.78 37.80 2e4m n ASN 133 CO 0.00 0.00 0.00 -0.46 -0.44 0.00 0.00 177.26 176.36 2e4m n ASN 134 N -1.39 0.00 -0.15 0.53 0.23 -1.26 -1.93 115.26 111.29 2e4m n ASN 134 Ca 0.04 -0.73 0.02 0.00 -0.53 0.00 0.00 54.58 53.38 2e4m n ASN 134 Cb 0.12 0.00 0.03 0.00 -2.08 0.00 0.00 39.78 37.84 2e4m n ASN 134 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2e4m n GLN 135 N -0.89 0.69 -4.44 -3.83 6.02 -1.07 -1.42 117.38 112.43 2e4m n GLN 135 Ca 0.11 -1.04 -0.34 0.00 -0.01 0.00 0.00 57.00 55.72 2e4m n GLN 135 Cb 0.05 -1.07 -0.11 0.00 1.02 0.00 0.00 30.24 30.13 2e4m n GLN 135 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2e4m s PHE 136 N -0.53 3.03 0.16 1.08 0.08 -0.81 -4.38 117.98 116.61 2e4m s PHE 136 Ca 0.05 -0.14 0.10 0.00 0.12 0.00 0.00 56.93 57.06 2e4m s PHE 136 Cb 0.03 -1.88 -0.04 0.00 -0.57 0.00 0.00 43.02 40.56 2e4m s PHE 136 CO 0.04 0.13 -0.21 -0.06 -0.10 0.00 0.00 175.22 175.02 2e4m s PHE 137 N -0.11 2.02 -0.06 0.36 0.40 -0.03 -0.96 117.98 119.60 2e4m s PHE 137 Ca 0.02 -0.41 0.02 0.00 -0.60 0.00 0.00 56.93 55.96 2e4m s PHE 137 Cb -0.13 -1.03 -0.03 0.00 0.51 0.00 0.00 43.02 42.34 2e4m s PHE 137 CO 0.02 0.36 -0.10 0.15 0.70 0.00 0.00 175.22 176.36 2e4m s LYS 138 N -2.52 2.64 -0.15 0.44 1.02 0.09 -0.20 119.74 121.06 2e4m s LYS 138 Ca 0.15 -0.61 -0.01 0.00 0.02 0.00 0.00 55.97 55.52 2e4m s LYS 138 Cb -0.08 -2.50 -0.01 0.00 -0.52 0.00 0.00 37.83 34.72 2e4m s LYS 138 CO 0.07 0.65 -0.11 -0.06 -0.92 0.00 0.00 175.35 174.97 2e4m s PHE 139 N -0.78 2.85 -0.12 3.18 0.08 -1.26 -1.09 117.98 120.83 2e4m s PHE 139 Ca 0.12 -0.73 0.01 0.00 0.12 0.00 0.00 56.93 56.45 2e4m s PHE 139 Cb -0.11 -1.90 0.02 0.00 -0.57 0.00 0.00 43.02 40.46 2e4m s PHE 139 CO 0.01 -0.29 -0.12 -1.12 -0.10 0.00 0.00 175.22 173.60 2e4m s SER 140 N 0.59 2.42 -0.05 1.36 0.01 -0.64 -4.88 113.70 112.51 2e4m s SER 140 Ca -0.07 -0.41 -0.30 0.00 1.31 0.00 0.00 55.95 56.49 2e4m s SER 140 Cb -0.15 -1.04 -0.06 0.00 0.21 0.00 0.00 66.02 64.98 2e4m s SER 140 CO 0.03 -0.05 1.76 0.21 0.41 0.00 0.00 173.24 175.59 2e4m s ASN 141 N 1.38 6.53 0.15 2.44 3.84 -1.26 -0.75 114.94 127.27 2e4m s ASN 141 Ca 0.01 2.28 -0.15 0.00 0.21 0.00 0.00 52.86 55.20 2e4m s ASN 141 Cb -0.13 -2.53 0.02 0.00 -0.55 0.00 0.00 41.25 38.05 2e4m s ASN 141 CO -0.07 -1.04 1.73 0.00 -2.79 0.00 0.00 177.10 174.94 2e4m h ILE 143 N 0.57 1.27 -0.28 0.00 2.04 -1.91 -1.10 117.51 118.11 2e4m h ILE 143 Ca 0.15 -1.15 0.01 0.00 1.00 0.00 0.00 64.86 64.87 2e4m h ILE 143 Cb 0.10 1.18 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 2e4m h ILE 143 CO -0.02 0.39 0.15 0.22 0.00 0.00 0.00 178.15 178.89 2e4m h TYR 144 N 0.59 0.28 -0.51 1.37 5.03 -1.91 0.14 116.97 121.96 2e4m h TYR 144 Ca 0.11 0.01 0.03 0.00 2.58 0.00 0.00 58.73 61.46 2e4m h TYR 144 Cb 0.59 -0.09 -0.04 0.00 1.55 0.00 0.00 36.73 38.75 2e4m h TYR 144 CO 0.05 0.16 0.29 1.49 -1.32 0.00 0.00 178.16 178.83 2e4m h GLU 145 N 0.31 0.56 -0.06 1.82 4.81 -1.13 -2.07 114.58 118.81 2e4m h GLU 145 Ca 0.11 -0.03 -0.23 0.00 -0.13 0.00 0.00 59.36 59.08 2e4m h GLU 145 Cb 0.02 -0.13 0.01 0.00 0.63 0.00 0.00 28.75 29.28 2e4m h GLU 145 CO -0.06 0.37 -0.89 0.00 -0.73 0.00 0.00 179.01 177.70 2e4m h ALA 146 N 1.24 0.32 0.00 2.92 0.00 -0.94 -3.40 119.26 119.40 2e4m h ALA 146 Ca 0.21 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2e4m h ALA 146 Cb 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2e4m h ALA 146 CO -0.11 0.73 -1.15 1.28 0.00 0.00 0.00 179.25 179.99 2e4m n LEU 147 N -3.85 0.04 -4.72 0.00 4.77 0.48 -4.91 117.00 108.81 2e4m n LEU 147 Ca -0.08 -0.07 -0.42 0.00 -0.03 0.00 0.00 56.01 55.41 2e4m n LEU 147 Cb 0.80 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.86 2e4m n LEU 147 CO 0.53 0.01 1.32 0.21 -1.33 0.00 0.00 177.39 178.13 2e4m s ASN 148 N -2.59 6.43 -1.90 -1.43 3.04 -0.78 -1.83 114.94 115.88 2e4m s ASN 148 Ca -0.02 2.82 0.00 0.00 0.04 0.00 0.00 52.86 55.71 2e4m s ASN 148 Cb 0.04 -2.60 0.00 0.00 -1.54 0.00 0.00 41.25 37.15 2e4m s ASN 148 CO 0.27 -0.93 0.00 0.59 -3.04 0.00 0.00 177.10 173.99 2e4m n ASN 149 N 3.71 -5.51 -4.71 -4.21 3.02 0.10 -5.00 115.26 102.67 2e4m n ASN 149 Ca 0.14 0.24 -0.33 0.00 -0.03 0.00 0.00 54.58 54.60 2e4m n ASN 149 Cb 0.36 -4.64 -0.08 0.00 -0.61 0.00 0.00 39.78 34.81 2e4m n ASN 149 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2e4m s ARG 150 N -4.30 2.92 -0.21 3.52 1.81 -0.76 -4.89 118.95 117.04 2e4m s ARG 150 Ca 0.00 -0.51 -0.27 0.00 -1.72 0.00 0.00 55.73 53.22 2e4m s ARG 150 Cb 0.00 -2.76 -0.00 0.00 -0.45 0.00 0.00 34.95 31.74 2e4m s ARG 150 CO 0.00 0.66 0.95 1.21 -0.68 0.00 0.00 175.30 177.43 2e4m s ASN 151 N -1.40 7.02 0.22 0.23 3.04 -1.26 -1.42 114.94 121.37 2e4m s ASN 151 Ca 0.18 1.27 0.05 0.00 0.04 0.00 0.00 52.86 54.41 2e4m s ASN 151 Cb -0.12 -2.50 -0.05 0.00 -1.54 0.00 0.00 41.25 37.04 2e4m s ASN 151 CO 0.09 -0.56 -0.06 0.00 -3.04 0.00 0.00 177.10 173.53 2e4m s LYS 153 N -3.78 1.92 -0.19 0.00 -2.85 0.02 -0.43 119.74 114.43 2e4m s LYS 153 Ca 0.25 -1.28 -0.00 0.00 -1.00 0.00 0.00 55.97 53.94 2e4m s LYS 153 Cb 0.04 -2.11 0.05 0.00 -2.06 0.00 0.00 37.83 33.75 2e4m s LYS 153 CO 0.07 0.44 -0.05 -0.51 0.10 0.00 0.00 175.35 175.40 2e4m s LEU 154 N -2.61 1.94 -0.17 2.77 1.02 -1.26 -1.70 118.68 118.66 2e4m s LEU 154 Ca 0.22 -0.85 -0.08 0.00 0.02 0.00 0.00 54.13 53.45 2e4m s LEU 154 Cb -0.09 -1.01 -0.04 0.00 0.02 0.00 0.00 46.19 45.06 2e4m s LEU 154 CO 0.13 -0.20 0.10 -1.58 0.02 0.00 0.00 176.35 174.82 2e4m s GLN 155 N 1.55 3.91 0.30 1.70 0.74 0.80 -0.60 119.66 128.06 2e4m s GLN 155 Ca -0.01 -0.26 -0.29 0.00 0.05 0.00 0.00 55.36 54.84 2e4m s GLN 155 Cb -0.16 -3.26 -0.10 0.00 1.10 0.00 0.00 33.01 30.58 2e4m s GLN 155 CO -0.07 0.39 1.31 -0.08 -0.55 0.00 0.00 175.29 176.29 2e4m s THR 156 N 0.05 2.83 0.54 -0.34 -1.32 -0.70 0.56 115.64 117.26 2e4m s THR 156 Ca 0.08 0.79 0.42 0.00 -1.21 0.00 0.00 61.69 61.77 2e4m s THR 156 Cb -0.12 -3.50 0.43 0.00 -1.51 0.00 0.00 72.50 67.80 2e4m s THR 156 CO 0.00 0.17 2.29 -0.61 -2.21 0.00 0.00 174.62 174.26 2e4m h GLN 157 N 3.90 0.00 0.00 7.08 5.75 -1.36 -2.69 115.11 127.79 2e4m h GLN 157 Ca -0.48 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.01 2e4m h GLN 157 Cb 1.22 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.77 2e4m h GLN 157 CO 0.69 0.00 -0.06 -0.07 -2.65 0.00 0.00 178.83 176.74 2e4m h LEU 158 N 0.00 0.00 -6.87 -2.39 3.38 -1.82 -3.44 115.31 104.17 2e4m h LEU 158 Ca 0.00 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.07 2e4m h LEU 158 Cb 0.08 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 40.60 2e4m h LEU 158 CO 0.00 0.06 0.13 0.21 0.09 0.00 0.00 178.44 178.93 2e4m s ASN 159 N -6.16 -0.78 0.44 -0.43 3.84 -1.02 -5.05 114.94 105.78 2e4m s ASN 159 Ca -0.04 1.15 0.30 0.00 0.21 0.00 0.00 52.86 54.49 2e4m s ASN 159 Cb 0.14 1.65 1.53 0.00 -0.55 0.00 0.00 41.25 44.02 2e4m s ASN 159 CO 0.56 -0.17 1.92 0.77 -2.79 0.00 0.00 177.10 177.39 2e4m h SER 160 N 7.14 0.00 -0.89 -4.21 4.64 -1.86 -2.76 113.55 115.62 2e4m h SER 160 Ca -0.23 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.60 2e4m h SER 160 Cb 1.16 0.00 -0.42 0.00 -0.31 0.00 0.00 62.40 62.83 2e4m h SER 160 CO 0.13 0.00 -0.87 -0.67 -0.87 0.00 0.00 176.83 174.55 2e4m n ASP 161 N -2.60 4.12 -3.95 4.97 2.03 -1.26 -4.99 116.55 114.88 2e4m n ASP 161 Ca -0.01 -3.40 -0.27 0.00 0.52 0.00 0.00 54.79 51.63 2e4m n ASP 161 Cb 0.11 -0.40 -0.17 0.00 -0.72 0.00 0.00 41.12 39.94 2e4m n ASP 161 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2e4m s ARG 162 N -3.59 1.65 0.11 -0.67 1.81 -1.04 -3.57 118.95 113.65 2e4m s ARG 162 Ca 0.45 -0.33 0.08 0.00 -1.72 0.00 0.00 55.73 54.21 2e4m s ARG 162 Cb 0.40 -1.59 -0.04 0.00 -0.45 0.00 0.00 34.95 33.27 2e4m s ARG 162 CO -0.02 -0.18 -0.19 -0.06 -0.68 0.00 0.00 175.30 174.16 2e4m s PHE 163 N 1.40 1.69 -0.07 -0.53 0.08 0.19 -1.73 117.98 119.02 2e4m s PHE 163 Ca -0.00 -0.44 -0.29 0.00 0.12 0.00 0.00 56.93 56.31 2e4m s PHE 163 Cb -0.13 -0.91 -0.07 0.00 -0.57 0.00 0.00 43.02 41.33 2e4m s PHE 163 CO -0.05 0.21 2.08 -1.17 -0.10 0.00 0.00 175.22 176.18 2e4m s LEU 164 N -2.07 4.01 -0.03 -0.37 2.96 0.23 -1.41 118.68 121.99 2e4m s LEU 164 Ca 0.07 2.34 -0.01 0.00 -0.22 0.00 0.00 54.13 56.32 2e4m s LEU 164 Cb -0.09 -3.52 0.03 0.00 0.50 0.00 0.00 46.19 43.11 2e4m s LEU 164 CO 0.04 -1.45 0.03 -0.44 -1.32 0.00 0.00 176.35 173.22 2e4m s SER 165 N 6.11 0.63 0.14 3.68 0.01 0.97 -4.48 113.70 120.76 2e4m s SER 165 Ca 0.94 0.03 -0.31 0.00 1.31 0.00 0.00 55.95 57.92 2e4m s SER 165 Cb -0.39 -0.15 -0.10 0.00 0.21 0.00 0.00 66.02 65.59 2e4m s SER 165 CO 0.39 -0.17 1.65 -0.75 0.41 0.00 0.00 173.24 174.76 2e4m s LYS 166 N 1.51 4.19 0.62 12.44 2.20 -0.29 0.03 119.74 140.44 2e4m s LYS 166 Ca -0.03 2.41 -0.19 0.00 -0.36 0.00 0.00 55.97 57.80 2e4m s LYS 166 Cb -0.13 -3.34 -0.02 0.00 -1.51 0.00 0.00 37.83 32.84 2e4m s LYS 166 CO -0.03 -0.69 1.29 -0.80 -0.36 0.00 0.00 175.35 174.76 2e4m s ASN 167 N 1.73 4.79 0.31 1.43 0.02 -0.54 -4.85 114.94 117.83 2e4m s ASN 167 Ca 0.73 2.61 -0.29 0.00 -1.02 0.00 0.00 52.86 54.89 2e4m s ASN 167 Cb -0.44 -2.62 -0.11 0.00 0.02 0.00 0.00 41.25 38.11 2e4m s ASN 167 CO 0.32 -1.88 1.49 -0.76 0.02 0.00 0.00 177.10 176.30 2e4m s LEU 168 N -4.20 4.36 -1.70 0.60 1.43 -1.26 -3.48 118.68 114.42 2e4m s LEU 168 Ca 0.80 2.87 0.00 0.00 -1.03 0.00 0.00 54.13 56.78 2e4m s LEU 168 Cb -0.37 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.21 2e4m s LEU 168 CO 0.40 -0.81 0.00 -3.20 0.23 0.00 0.00 176.35 172.97 2e4m n ASN 169 N 1.64 -5.56 -3.53 2.29 5.15 -1.26 -4.95 115.26 109.04 2e4m n ASN 169 Ca 0.05 0.03 -0.13 0.00 -0.60 0.00 0.00 54.58 53.93 2e4m n ASN 169 Cb 0.39 -4.61 -0.04 0.00 -0.53 0.00 0.00 39.78 34.99 2e4m n ASN 169 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 2e4m s SER 170 N -2.19 -0.46 0.00 1.20 0.15 -1.23 -5.04 113.70 106.14 2e4m s SER 170 Ca 0.00 0.05 0.26 0.00 0.70 0.00 0.00 55.95 56.96 2e4m s SER 170 Cb 0.00 0.53 0.70 0.00 -1.71 0.00 0.00 66.02 65.54 2e4m s SER 170 CO 0.00 -0.83 1.53 0.00 1.20 0.00 0.00 173.24 175.14 2e4m n GLN 171 N 0.03 0.69 -2.64 5.44 1.13 -1.26 -4.35 117.38 116.42 2e4m n GLN 171 Ca -0.17 -0.41 -0.41 0.00 -1.94 0.00 0.00 57.00 54.07 2e4m n GLN 171 Cb 0.62 -1.49 -0.04 0.00 0.11 0.00 0.00 30.24 29.44 2e4m n GLN 171 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2e4m s ILE 172 N -2.59 4.15 -0.16 5.09 1.01 -1.26 -0.47 121.20 126.97 2e4m s ILE 172 Ca 0.22 1.87 -0.08 0.00 0.00 0.00 0.00 60.65 62.66 2e4m s ILE 172 Cb 0.19 -4.19 -0.04 0.00 0.01 0.00 0.00 42.46 38.42 2e4m s ILE 172 CO 0.55 0.33 0.11 -0.63 0.00 0.00 0.00 174.94 175.30 2e4m s ILE 173 N -0.30 5.23 0.29 2.92 1.01 -0.44 -1.47 121.20 128.44 2e4m s ILE 173 Ca 0.47 0.12 0.04 0.00 0.00 0.00 0.00 60.65 61.28 2e4m s ILE 173 Cb -0.26 -3.33 -0.03 0.00 0.01 0.00 0.00 42.46 38.84 2e4m s ILE 173 CO 0.32 0.52 0.22 0.68 0.00 0.00 0.00 174.94 176.68 2e4m s VAL 174 N -0.20 0.05 0.18 2.92 -7.23 0.10 -3.14 120.40 113.08 2e4m s VAL 174 Ca 0.10 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.97 2e4m s VAL 174 Cb -0.12 -2.50 -0.08 0.00 0.56 0.00 0.00 36.38 34.25 2e4m s VAL 174 CO 0.01 0.00 0.98 -0.76 -0.31 0.00 0.00 175.10 175.02 2e4m s LEU 175 N -3.31 4.56 -0.08 1.32 1.43 -0.10 -0.02 118.68 122.48 2e4m s LEU 175 Ca 0.39 1.92 -0.16 0.00 -1.03 0.00 0.00 54.13 55.25 2e4m s LEU 175 Cb 0.04 -3.60 0.04 0.00 0.03 0.00 0.00 46.19 42.69 2e4m s LEU 175 CO 0.22 0.00 0.40 0.86 0.23 0.00 0.00 176.35 178.06 2e4m s TRP 176 N -0.59 -0.36 0.38 0.29 -0.11 -0.50 -0.21 118.94 117.85 2e4m s TRP 176 Ca 0.45 0.76 -0.23 0.00 1.22 0.00 0.00 56.10 58.29 2e4m s TRP 176 Cb -0.26 0.16 -0.14 0.00 -1.50 0.00 0.00 33.47 31.73 2e4m s TRP 176 CO 0.32 -0.33 0.50 0.94 -4.62 0.00 0.00 176.95 173.76 2e4m n GLN 177 N 1.98 0.46 -2.02 5.86 7.27 -1.23 -0.63 117.38 129.07 2e4m n GLN 177 Ca -0.17 0.17 -0.42 0.00 0.07 0.00 0.00 57.00 56.64 2e4m n GLN 177 Cb 0.57 -1.38 -0.03 0.00 2.41 0.00 0.00 30.24 31.81 2e4m n GLN 177 CO 0.00 0.00 0.00 -0.46 0.07 0.00 0.00 177.06 176.67 2e4m s TRP 178 N -1.41 2.33 0.00 3.69 -0.11 -1.25 -4.83 118.94 117.35 2e4m s TRP 178 Ca 0.62 0.37 0.00 0.00 1.22 0.00 0.00 56.10 58.31 2e4m s TRP 178 Cb -0.66 -3.88 0.00 0.00 -1.50 0.00 0.00 33.47 27.43 2e4m s TRP 178 CO 0.59 -3.58 0.80 1.19 -4.62 0.00 0.00 176.95 171.33 2e4m n PHE 179 N 6.16 0.00 -2.77 5.86 3.01 -1.26 -4.99 117.46 123.47 2e4m n PHE 179 Ca 0.16 -0.31 -0.22 0.00 1.01 0.00 0.00 57.45 58.10 2e4m n PHE 179 Cb 0.42 -0.03 0.02 0.00 -0.01 0.00 0.00 39.48 39.87 2e4m n PHE 179 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2e4m n ASP 180 N -0.31 -5.93 -4.79 4.37 4.64 -1.26 -4.96 116.55 108.31 2e4m n ASP 180 Ca 0.00 -0.17 -0.38 0.00 -1.38 0.00 0.00 54.79 52.86 2e4m n ASP 180 Cb 0.18 -4.86 -0.06 0.00 -1.04 0.00 0.00 41.12 35.35 2e4m n ASP 180 CO 0.00 0.00 0.00 -0.55 -0.82 0.00 0.00 177.20 175.83 2e4m s SER 181 N -2.43 7.30 0.60 1.67 0.15 -1.26 -4.95 113.70 114.78 2e4m s SER 181 Ca 0.18 1.60 0.29 0.00 0.70 0.00 0.00 55.95 58.71 2e4m s SER 181 Cb -0.08 -2.48 1.48 0.00 -1.71 0.00 0.00 66.02 63.23 2e4m s SER 181 CO 0.22 0.14 1.89 0.77 1.20 0.00 0.00 173.24 177.46 2e4m h SER 182 N 3.99 0.00 0.61 5.45 4.64 -1.94 -0.15 113.55 126.15 2e4m h SER 182 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2e4m h SER 182 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2e4m h SER 182 CO 0.66 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 177.16 2e4m n ARG 183 N -3.57 0.01 -0.06 4.77 1.74 -1.26 -2.06 116.66 116.22 2e4m n ARG 183 Ca 0.07 0.21 0.03 0.00 -0.77 0.00 0.00 57.85 57.38 2e4m n ARG 183 Cb 0.64 -1.51 0.05 0.00 -1.02 0.00 0.00 32.46 30.62 2e4m n ARG 183 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2e4m n GLN 184 N -1.52 2.77 -4.65 5.56 6.02 -0.07 -1.14 117.38 124.36 2e4m n GLN 184 Ca 0.04 -1.78 -0.33 0.00 -0.01 0.00 0.00 57.00 54.92 2e4m n GLN 184 Cb 0.21 -1.14 -0.15 0.00 1.02 0.00 0.00 30.24 30.17 2e4m n GLN 184 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2e4m s LYS 185 N -1.28 3.21 -0.13 -1.09 1.02 -1.15 -4.50 119.74 115.82 2e4m s LYS 185 Ca 0.10 -0.76 -0.01 0.00 0.02 0.00 0.00 55.97 55.32 2e4m s LYS 185 Cb 0.07 -2.58 0.03 0.00 -0.52 0.00 0.00 37.83 34.83 2e4m s LYS 185 CO 0.04 0.06 -0.06 -1.58 -0.92 0.00 0.00 175.35 172.89 2e4m s TRP 186 N 0.69 1.45 -0.29 3.18 0.52 0.43 -0.78 118.94 124.14 2e4m s TRP 186 Ca -0.08 -0.79 -0.25 0.00 0.02 0.00 0.00 56.10 55.00 2e4m s TRP 186 Cb -0.16 -1.21 0.00 0.00 -1.15 0.00 0.00 33.47 30.96 2e4m s TRP 186 CO 0.02 -0.53 0.89 0.99 0.02 0.00 0.00 176.95 178.33 2e4m s THR 187 N 1.72 4.72 -0.16 2.01 2.01 0.02 0.08 115.64 126.04 2e4m s THR 187 Ca 0.04 1.45 -0.19 0.00 0.31 0.00 0.00 61.69 63.30 2e4m s THR 187 Cb -0.13 -4.22 -0.03 0.00 0.01 0.00 0.00 72.50 68.12 2e4m s THR 187 CO -0.08 -0.27 0.53 -0.63 -0.69 0.00 0.00 174.62 173.48 2e4m s ILE 188 N 3.13 5.12 -0.05 1.82 1.01 -0.51 -0.93 121.20 130.79 2e4m s ILE 188 Ca 0.37 1.01 -0.01 0.00 0.00 0.00 0.00 60.65 62.02 2e4m s ILE 188 Cb -0.14 -3.86 0.03 0.00 0.01 0.00 0.00 42.46 38.50 2e4m s ILE 188 CO 0.12 0.23 0.02 -1.61 0.00 0.00 0.00 174.94 173.69 2e4m s GLU 189 N 1.26 0.33 0.11 2.79 2.02 -0.61 0.01 118.70 124.60 2e4m s GLU 189 Ca 0.26 0.18 -0.30 0.00 0.02 0.00 0.00 54.97 55.13 2e4m s GLU 189 Cb -0.15 -0.71 -0.06 0.00 0.10 0.00 0.00 34.13 33.31 2e4m s GLU 189 CO 0.10 -0.27 1.11 -0.47 0.02 0.00 0.00 175.26 175.76 2e4m s TYR 190 N 1.78 3.56 -0.28 1.61 5.04 -1.26 -1.28 117.35 126.52 2e4m s TYR 190 Ca 0.01 1.51 -0.09 0.00 -2.44 0.00 0.00 57.07 56.06 2e4m s TYR 190 Cb -0.13 -3.29 -0.03 0.00 0.35 0.00 0.00 41.96 38.86 2e4m s TYR 190 CO -0.04 -0.73 0.14 1.21 -1.34 0.00 0.00 175.55 174.79 2e4m s ASN 191 N 0.49 5.55 0.25 4.32 3.84 1.00 -4.97 114.94 125.40 2e4m s ASN 191 Ca 0.53 -0.25 -0.05 0.00 0.21 0.00 0.00 52.86 53.30 2e4m s ASN 191 Cb -0.28 -2.01 0.27 0.00 -0.55 0.00 0.00 41.25 38.68 2e4m s ASN 191 CO 0.32 -0.09 1.83 -0.33 -2.79 0.00 0.00 177.10 176.03 2e4m h GLU 192 N 8.32 1.11 -0.25 0.43 4.39 -1.96 0.86 114.58 127.48 2e4m h GLU 192 Ca -0.35 -0.17 -0.13 0.00 0.34 0.00 0.00 59.36 59.05 2e4m h GLU 192 Cb 1.17 -0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 29.62 2e4m h GLU 192 CO 0.58 0.87 -0.35 1.15 -1.16 0.00 0.00 179.01 180.11 2e4m h THR 193 N 1.10 1.31 0.00 1.13 2.02 -1.95 -3.09 112.91 113.43 2e4m h THR 193 Ca 0.26 -1.54 -0.00 0.00 0.77 0.00 0.00 66.41 65.90 2e4m h THR 193 Cb 0.15 1.70 -0.00 0.00 -1.74 0.00 0.00 68.15 68.26 2e4m h THR 193 CO -0.03 0.49 -0.01 0.11 0.37 0.00 0.00 175.52 176.45 2e4m h LYS 194 N 0.40 0.00 -6.25 6.66 6.56 -1.98 -3.48 116.57 118.48 2e4m h LYS 194 Ca 0.03 0.00 -0.45 0.00 -1.06 0.00 0.00 60.65 59.16 2e4m h LYS 194 Cb 0.93 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.60 2e4m h LYS 194 CO 0.08 0.01 -0.83 0.43 -2.06 0.00 0.00 179.45 177.08 2e4m n SER 195 N -3.10 -1.58 -3.76 0.86 7.64 0.28 -4.98 113.62 108.98 2e4m n SER 195 Ca 0.04 -0.87 -0.07 0.00 1.01 0.00 0.00 58.87 58.98 2e4m n SER 195 Cb 0.52 -3.72 -0.01 0.00 -1.01 0.00 0.00 64.21 59.99 2e4m n SER 195 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2e4m s ALA 196 N -3.68 -1.22 0.12 -0.43 0.00 -1.13 -4.95 121.76 110.47 2e4m s ALA 196 Ca 0.13 -0.31 0.05 0.00 0.00 0.00 0.00 51.96 51.84 2e4m s ALA 196 Cb -0.07 0.81 -0.04 0.00 0.00 0.00 0.00 23.12 23.82 2e4m s ALA 196 CO 0.84 -1.04 0.02 0.71 0.00 0.00 0.00 175.76 176.29 2e4m s TYR 197 N -3.69 2.98 0.25 0.00 1.51 -0.07 -0.00 117.35 118.32 2e4m s TYR 197 Ca 0.12 -0.05 0.09 0.00 -1.01 0.00 0.00 57.07 56.22 2e4m s TYR 197 Cb -0.05 -1.50 -0.04 0.00 -0.11 0.00 0.00 41.96 40.26 2e4m s TYR 197 CO 0.07 0.50 -0.01 0.95 -1.11 0.00 0.00 175.55 175.95 2e4m s THR 198 N -1.47 3.49 -0.12 -0.71 -4.23 -0.41 -0.98 115.64 111.22 2e4m s THR 198 Ca 0.27 -1.82 -0.00 0.00 -1.18 0.00 0.00 61.69 58.96 2e4m s THR 198 Cb -0.11 -2.84 0.03 0.00 1.34 0.00 0.00 72.50 70.91 2e4m s THR 198 CO 0.19 -0.32 -0.07 -0.76 -0.54 0.00 0.00 174.62 173.12 2e4m s LEU 199 N -3.52 1.20 -0.24 4.79 1.02 -1.26 -1.58 118.68 119.10 2e4m s LEU 199 Ca 0.30 -0.32 -0.06 0.00 0.02 0.00 0.00 54.13 54.08 2e4m s LEU 199 Cb -0.07 -0.84 -0.01 0.00 0.02 0.00 0.00 46.19 45.28 2e4m s LEU 199 CO 0.19 -0.12 0.02 -0.75 0.02 0.00 0.00 176.35 175.71 2e4m s LYS 200 N 1.71 3.44 0.15 1.70 2.20 -0.11 -0.33 119.74 128.50 2e4m s LYS 200 Ca 0.05 -0.60 -0.31 0.00 -0.36 0.00 0.00 55.97 54.74 2e4m s LYS 200 Cb -0.13 -3.19 -0.09 0.00 -1.51 0.00 0.00 37.83 32.92 2e4m s LYS 200 CO -0.08 -0.23 1.41 0.00 -0.36 0.00 0.00 175.35 176.09 2e4m h GLN 202 N 6.36 0.21 -0.75 0.00 4.15 -0.88 -0.80 115.11 123.41 2e4m h GLN 202 Ca -0.43 -0.09 0.04 0.00 0.77 0.00 0.00 58.65 58.94 2e4m h GLN 202 Cb 1.21 -0.01 -0.05 0.00 0.21 0.00 0.00 27.48 28.84 2e4m h GLN 202 CO 0.85 0.55 0.46 1.49 -1.93 0.00 0.00 178.83 180.25 2e4m h GLU 203 N 0.19 0.84 0.00 1.69 4.81 -1.69 -3.34 114.58 117.08 2e4m h GLU 203 Ca 0.02 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2e4m h GLU 203 Cb 0.73 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.92 2e4m h GLU 203 CO 0.06 0.56 0.00 0.27 -0.73 0.00 0.00 179.01 179.16 2e4m n ASN 204 N -4.67 0.75 -2.57 1.04 6.94 -1.22 -5.02 115.26 110.51 2e4m n ASN 204 Ca 0.09 -1.35 -0.15 0.00 -0.02 0.00 0.00 54.58 53.15 2e4m n ASN 204 Cb 0.13 0.00 -0.00 0.00 -2.36 0.00 0.00 39.78 37.54 2e4m n ASN 204 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 2e4m n ASN 205 N -0.18 -4.34 -4.64 0.53 5.03 -0.31 -4.98 115.26 106.38 2e4m n ASN 205 Ca 0.00 0.07 -0.24 0.00 0.87 0.00 0.00 54.58 55.28 2e4m n ASN 205 Cb 0.37 -3.65 -0.08 0.00 -1.02 0.00 0.00 39.78 35.40 2e4m n ASN 205 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 2e4m s ARG 206 N -5.18 2.15 -0.01 3.52 0.52 -1.24 -4.87 118.95 113.84 2e4m s ARG 206 Ca 0.06 -1.65 0.04 0.00 -0.52 0.00 0.00 55.73 53.67 2e4m s ARG 206 Cb -0.03 -2.01 -0.03 0.00 0.52 0.00 0.00 34.95 33.40 2e4m s ARG 206 CO 0.08 0.19 -0.11 0.71 0.02 0.00 0.00 175.30 176.19 2e4m s TYR 207 N -2.46 2.78 -0.14 -0.53 1.51 0.29 -0.18 117.35 118.63 2e4m s TYR 207 Ca 0.34 -0.11 -0.33 0.00 -1.01 0.00 0.00 57.07 55.96 2e4m s TYR 207 Cb -0.02 -1.59 -0.11 0.00 -0.11 0.00 0.00 41.96 40.13 2e4m s TYR 207 CO 0.20 0.30 1.98 -0.11 -1.11 0.00 0.00 175.55 176.81 2e4m n LEU 208 N 1.77 3.29 -3.82 -1.29 7.94 0.55 -1.19 117.00 124.25 2e4m n LEU 208 Ca -0.16 0.78 -0.13 0.00 -1.11 0.00 0.00 56.01 55.39 2e4m n LEU 208 Cb 0.52 -1.39 -0.15 0.00 0.53 0.00 0.00 43.42 42.94 2e4m n LEU 208 CO 0.28 -0.22 -0.34 -0.89 -1.11 0.00 0.00 177.39 175.11 2e4m s THR 209 N 5.17 -0.03 -0.21 1.96 2.01 -0.37 -4.64 115.64 119.52 2e4m s THR 209 Ca 0.96 0.11 -0.29 0.00 0.31 0.00 0.00 61.69 62.78 2e4m s THR 209 Cb -0.65 -0.06 -0.00 0.00 0.01 0.00 0.00 72.50 71.80 2e4m s THR 209 CO 0.49 0.04 1.21 0.86 -0.69 0.00 0.00 174.62 176.53 2e4m s TRP 210 N 0.53 2.94 -0.51 4.92 -0.00 -0.66 -1.41 118.94 124.74 2e4m s TRP 210 Ca -0.04 1.09 -0.17 0.00 -0.00 0.00 0.00 56.10 56.98 2e4m s TRP 210 Cb -0.06 -3.54 0.09 0.00 -0.00 0.00 0.00 33.47 29.96 2e4m s TRP 210 CO -0.02 -1.40 0.51 0.42 -0.00 0.00 0.00 176.95 176.46 2e4m s ILE 211 N 3.60 5.11 -0.55 5.86 -1.09 -0.65 -4.87 121.20 128.62 2e4m s ILE 211 Ca 0.52 -1.09 -0.28 0.00 -2.23 0.00 0.00 60.65 57.58 2e4m s ILE 211 Cb -0.19 -4.27 0.01 0.00 -1.58 0.00 0.00 42.46 36.44 2e4m s ILE 211 CO 0.14 -0.78 1.44 -1.10 -1.23 0.00 0.00 174.94 173.41 2e4m s GLN 212 N 1.93 3.30 0.06 2.79 -0.21 -1.26 -3.80 119.66 122.47 2e4m s GLN 212 Ca 0.07 0.52 -0.02 0.00 0.02 0.00 0.00 55.36 55.94 2e4m s GLN 212 Cb -0.25 -4.13 0.01 0.00 1.00 0.00 0.00 33.01 29.64 2e4m s GLN 212 CO 0.06 -1.93 0.11 0.27 -2.12 0.00 0.00 175.29 171.68 2e4m n ASN 213 N 9.63 -0.31 0.26 5.90 2.04 -1.26 -4.97 115.26 126.55 2e4m n ASN 213 Ca 0.13 -1.25 0.13 0.00 -0.44 0.00 0.00 54.58 53.15 2e4m n ASN 213 Cb 0.49 0.53 0.81 0.00 -2.53 0.00 0.00 39.78 39.08 2e4m n ASN 213 CO 0.00 0.00 0.00 0.77 -0.44 0.00 0.00 177.26 177.59 2e4m h SER 214 N 0.30 0.00 0.54 0.53 4.64 -2.03 -1.51 113.55 116.02 2e4m h SER 214 Ca -0.05 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.06 2e4m h SER 214 Cb 0.18 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.27 2e4m h SER 214 CO 0.06 0.00 -0.95 0.78 -0.87 0.00 0.00 176.83 175.86 2e4m h ASN 215 N 0.00 0.34 -5.37 4.97 -0.26 -1.96 -3.48 115.58 109.83 2e4m h ASN 215 Ca 0.02 -0.29 -0.41 0.00 -0.56 0.00 0.00 56.30 55.07 2e4m h ASN 215 Cb 0.09 -0.10 -0.03 0.00 -1.06 0.00 0.00 38.32 37.22 2e4m h ASN 215 CO -0.00 1.11 -0.61 0.59 -1.06 0.00 0.00 177.43 177.45 2e4m n ASN 216 N -3.65 -4.66 -4.76 5.81 3.02 -0.57 -4.85 115.26 105.60 2e4m n ASN 216 Ca -0.05 -0.44 -0.33 0.00 -0.03 0.00 0.00 54.58 53.72 2e4m n ASN 216 Cb 0.85 -3.79 0.06 0.00 -0.61 0.00 0.00 39.78 36.28 2e4m n ASN 216 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2e4m s TYR 217 N -3.08 2.51 0.11 3.10 4.12 -1.25 -1.26 117.35 121.61 2e4m s TYR 217 Ca 0.43 1.56 -0.19 0.00 0.02 0.00 0.00 57.07 58.89 2e4m s TYR 217 Cb -0.22 -3.22 -0.07 0.00 -1.52 0.00 0.00 41.96 36.93 2e4m s TYR 217 CO 0.53 -1.85 0.60 0.14 0.02 0.00 0.00 175.55 174.99 2e4m s VAL 218 N -2.29 4.70 0.14 0.71 -7.23 -0.94 -1.63 120.40 113.86 2e4m s VAL 218 Ca 0.68 1.22 0.03 0.00 -1.81 0.00 0.00 61.98 62.10 2e4m s VAL 218 Cb -0.22 -3.89 -0.04 0.00 0.56 0.00 0.00 36.38 32.78 2e4m s VAL 218 CO 0.42 0.47 -0.06 -1.61 -0.31 0.00 0.00 175.10 174.01 2e4m s GLU 219 N -1.34 1.00 0.09 4.82 2.02 -0.50 -1.32 118.70 123.47 2e4m s GLU 219 Ca 0.33 -1.44 -0.30 0.00 0.02 0.00 0.00 54.97 53.57 2e4m s GLU 219 Cb -0.19 -0.40 -0.06 0.00 0.10 0.00 0.00 34.13 33.58 2e4m s GLU 219 CO 0.20 -0.01 1.18 0.95 0.02 0.00 0.00 175.26 177.60 2e4m s THR 220 N -3.50 3.98 0.03 3.63 -4.23 0.39 -1.24 115.64 114.69 2e4m s THR 220 Ca 0.17 1.48 0.01 0.00 -1.18 0.00 0.00 61.69 62.17 2e4m s THR 220 Cb 0.04 -3.95 -0.02 0.00 1.34 0.00 0.00 72.50 69.92 2e4m s THR 220 CO -0.00 0.15 -0.05 -0.47 -0.54 0.00 0.00 174.62 173.71 2e4m s TYR 221 N 0.77 0.41 1.05 3.99 5.04 -0.33 -4.79 117.35 123.49 2e4m s TYR 221 Ca 0.57 -0.53 -0.11 0.00 -2.44 0.00 0.00 57.07 54.56 2e4m s TYR 221 Cb -0.30 -0.27 0.22 0.00 0.35 0.00 0.00 41.96 41.97 2e4m s TYR 221 CO 0.31 -0.15 1.08 0.00 -1.34 0.00 0.00 175.55 175.45 2e4m n GLN 222 N 1.53 -1.51 -1.69 4.97 0.00 -1.26 -0.55 117.38 118.87 2e4m n GLN 222 Ca -0.23 -0.39 -0.43 0.00 0.00 0.00 0.00 57.00 55.94 2e4m n GLN 222 Cb 0.55 -2.27 -0.01 0.00 0.00 0.00 0.00 30.24 28.51 2e4m n GLN 222 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 2e4m n SER 223 N -4.63 2.80 -3.93 2.61 3.41 -1.26 -4.77 113.62 107.85 2e4m n SER 223 Ca 0.07 1.19 -0.09 0.00 -0.26 0.00 0.00 58.87 59.78 2e4m n SER 223 Cb 0.53 -1.47 -0.09 0.00 -0.26 0.00 0.00 64.21 62.91 2e4m n SER 223 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2e4m s THR 224 N -0.79 0.13 -0.97 6.66 -1.32 -1.26 -5.03 115.64 113.06 2e4m s THR 224 Ca 0.59 -1.08 0.26 0.00 -1.21 0.00 0.00 61.69 60.25 2e4m s THR 224 Cb -0.59 -0.88 0.23 0.00 -1.51 0.00 0.00 72.50 69.75 2e4m s THR 224 CO 0.59 -0.60 1.84 0.47 -2.21 0.00 0.00 174.62 174.71 2e4m n ASP 225 N 0.79 0.08 -4.77 8.08 10.43 -1.26 -4.89 116.55 125.01 2e4m n ASP 225 Ca -0.19 0.51 -0.39 0.00 2.57 0.00 0.00 54.79 57.28 2e4m n ASP 225 Cb 0.58 -0.53 0.00 0.00 1.84 0.00 0.00 41.12 43.01 2e4m n ASP 225 CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 2e4m s SER 226 N -3.15 6.19 0.65 -2.24 0.15 -1.26 -4.89 113.70 109.14 2e4m s SER 226 Ca 0.12 2.71 0.42 0.00 0.70 0.00 0.00 55.95 59.90 2e4m s SER 226 Cb 0.17 -2.64 2.25 0.00 -1.71 0.00 0.00 66.02 64.09 2e4m s SER 226 CO 0.49 -0.94 2.32 -0.07 1.20 0.00 0.00 173.24 176.24 2e4m h LEU 227 N 2.56 0.00 -2.83 3.45 3.38 -1.93 -2.66 115.31 117.28 2e4m h LEU 227 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 2e4m h LEU 227 Cb 1.25 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.00 2e4m h LEU 227 CO 0.62 0.00 0.03 0.16 0.09 0.00 0.00 178.44 179.35 2e4m h ILE 228 N 0.00 0.07 -0.06 1.22 3.07 -1.90 -1.88 117.51 118.03 2e4m h ILE 228 Ca -0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 2e4m h ILE 228 Cb 0.06 0.97 0.00 0.00 -0.27 0.00 0.00 36.82 37.58 2e4m h ILE 228 CO 0.00 0.00 0.00 1.67 -1.05 0.00 0.00 178.15 178.77 2e4m n GLN 229 N -3.16 2.17 -4.72 0.16 7.27 -1.00 -1.66 117.38 116.44 2e4m n GLN 229 Ca -0.03 -1.71 -0.30 0.00 0.07 0.00 0.00 57.00 55.03 2e4m n GLN 229 Cb 0.11 -1.47 -0.13 0.00 2.41 0.00 0.00 30.24 31.16 2e4m n GLN 229 CO 0.00 0.00 0.00 0.71 0.07 0.00 0.00 177.06 177.84 2e4m s TYR 230 N -1.96 2.47 -0.02 3.69 1.51 -0.72 -4.55 117.35 117.77 2e4m s TYR 230 Ca 0.31 -0.31 0.01 0.00 -1.01 0.00 0.00 57.07 56.07 2e4m s TYR 230 Cb 0.20 -1.43 0.02 0.00 -0.11 0.00 0.00 41.96 40.65 2e4m s TYR 230 CO 0.31 0.22 -0.01 -1.58 -1.11 0.00 0.00 175.55 173.38 2e4m s TRP 231 N -0.90 0.32 -0.46 2.71 0.52 -0.15 -0.75 118.94 120.22 2e4m s TRP 231 Ca 0.14 -0.02 -0.23 0.00 0.02 0.00 0.00 56.10 56.01 2e4m s TRP 231 Cb -0.10 -0.37 0.03 0.00 -1.15 0.00 0.00 33.47 31.88 2e4m s TRP 231 CO 0.04 -0.10 0.78 -0.80 0.02 0.00 0.00 176.95 176.89 2e4m s ASN 232 N 0.78 6.38 -0.31 2.95 0.01 0.65 -0.89 114.94 124.50 2e4m s ASN 232 Ca -0.08 -0.21 -0.19 0.00 -0.71 0.00 0.00 52.86 51.66 2e4m s ASN 232 Cb -0.11 -2.38 -0.01 0.00 0.41 0.00 0.00 41.25 39.16 2e4m s ASN 232 CO -0.01 -0.94 0.59 -0.63 -1.51 0.00 0.00 177.10 174.60 2e4m s ILE 233 N 3.29 4.97 0.23 0.60 1.01 -1.26 -0.78 121.20 129.25 2e4m s ILE 233 Ca 0.28 0.74 0.00 0.00 0.00 0.00 0.00 60.65 61.68 2e4m s ILE 233 Cb -0.13 -3.97 -0.05 0.00 0.01 0.00 0.00 42.46 38.32 2e4m s ILE 233 CO 0.21 -0.14 0.11 0.21 0.00 0.00 0.00 174.94 175.33 2e4m s ASN 234 N 1.66 0.71 0.55 3.58 3.84 -0.57 -5.01 114.94 119.72 2e4m s ASN 234 Ca 0.23 -1.37 -0.08 0.00 0.21 0.00 0.00 52.86 51.85 2e4m s ASN 234 Cb -0.15 0.26 -0.04 0.00 -0.55 0.00 0.00 41.25 40.77 2e4m s ASN 234 CO 0.12 -0.77 0.91 -0.31 -2.79 0.00 0.00 177.10 174.26 2e4m s TYR 235 N -3.93 3.59 0.51 0.43 4.12 -1.26 -0.75 117.35 120.05 2e4m s TYR 235 Ca 0.37 1.05 -0.23 0.00 0.02 0.00 0.00 57.07 58.28 2e4m s TYR 235 Cb 0.07 -2.52 -0.07 0.00 -1.52 0.00 0.00 41.96 37.92 2e4m s TYR 235 CO 0.12 -0.50 1.27 -0.11 0.02 0.00 0.00 175.55 176.35 2e4m n LEU 236 N -2.51 4.71 0.00 -1.29 7.94 -0.21 -4.55 117.00 121.08 2e4m n LEU 236 Ca 0.03 1.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.93 2e4m n LEU 236 Cb 0.55 -1.52 0.00 0.00 0.53 0.00 0.00 43.42 42.98 2e4m n LEU 236 CO 0.56 -0.80 0.00 -0.67 -1.11 0.00 0.00 177.39 175.37 2e4m n ASP 237 N -0.53 0.00 -0.53 1.96 4.64 -1.26 -1.71 116.55 119.13 2e4m n ASP 237 Ca 0.09 0.00 0.06 0.00 -1.38 0.00 0.00 54.79 53.56 2e4m n ASP 237 Cb 0.43 0.00 0.09 0.00 -1.04 0.00 0.00 41.12 40.60 2e4m n ASP 237 CO 0.00 0.00 0.00 0.59 -0.82 0.00 0.00 177.20 176.97 2e4m n ASN 238 N -1.74 2.33 -3.67 1.67 5.03 -1.26 -4.96 115.26 112.65 2e4m n ASN 238 Ca 0.00 -1.67 -0.27 0.00 0.87 0.00 0.00 54.58 53.50 2e4m n ASN 238 Cb 0.00 -0.09 -0.17 0.00 -1.02 0.00 0.00 39.78 38.50 2e4m n ASN 238 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2e4m s ASP 239 N -0.97 2.78 0.00 6.41 -1.08 -0.69 -0.89 116.67 122.23 2e4m s ASP 239 Ca 0.17 -0.81 0.19 0.00 -0.52 0.00 0.00 52.55 51.58 2e4m s ASP 239 Cb 0.11 -0.45 1.12 0.00 -1.46 0.00 0.00 42.92 42.24 2e4m s ASP 239 CO 0.15 -0.34 1.64 0.00 0.52 0.00 0.00 175.17 177.14 2e4m n ALA 240 N 5.15 2.49 0.97 3.66 0.00 -0.67 -3.05 120.51 129.05 2e4m n ALA 240 Ca -0.08 -0.12 0.14 0.00 0.00 0.00 0.00 53.44 53.38 2e4m n ALA 240 Cb 0.47 -1.30 0.53 0.00 0.00 0.00 0.00 19.45 19.14 2e4m n ALA 240 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2e4m n SER 241 N -0.83 0.16 -4.09 0.00 3.41 -1.26 -4.90 113.62 106.10 2e4m n SER 241 Ca 0.14 0.35 -0.09 0.00 -0.26 0.00 0.00 58.87 59.01 2e4m n SER 241 Cb 0.06 -0.36 -0.10 0.00 -0.26 0.00 0.00 64.21 63.55 2e4m n SER 241 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2e4m s LYS 242 N -3.01 0.61 0.14 4.33 1.02 -1.20 -4.86 119.74 116.77 2e4m s LYS 242 Ca 0.13 -1.09 0.09 0.00 0.02 0.00 0.00 55.97 55.12 2e4m s LYS 242 Cb 0.18 0.01 -0.04 0.00 -0.52 0.00 0.00 37.83 37.46 2e4m s LYS 242 CO 0.57 -0.05 -0.21 0.71 -0.92 0.00 0.00 175.35 175.45 2e4m s TYR 243 N -3.08 1.92 -0.03 3.18 2.02 0.04 -1.04 117.35 120.36 2e4m s TYR 243 Ca 0.02 -0.42 0.07 0.00 -0.37 0.00 0.00 57.07 56.37 2e4m s TYR 243 Cb 0.02 -1.01 -0.02 0.00 -0.40 0.00 0.00 41.96 40.55 2e4m s TYR 243 CO -0.06 0.30 -0.25 0.42 -1.57 0.00 0.00 175.55 174.39 2e4m s ILE 244 N -1.49 1.99 -0.33 2.71 -1.09 0.07 -1.22 121.20 121.84 2e4m s ILE 244 Ca 0.12 -1.06 -0.02 0.00 -2.23 0.00 0.00 60.65 57.46 2e4m s ILE 244 Cb -0.08 -1.66 0.06 0.00 -1.58 0.00 0.00 42.46 39.20 2e4m s ILE 244 CO 0.06 0.56 0.06 -0.76 -1.23 0.00 0.00 174.94 173.62 2e4m s LEU 245 N -0.42 4.27 -0.09 2.97 1.02 -1.26 -1.51 118.68 123.65 2e4m s LEU 245 Ca 0.05 -1.47 -0.18 0.00 0.02 0.00 0.00 54.13 52.54 2e4m s LEU 245 Cb -0.11 -1.75 -0.04 0.00 0.02 0.00 0.00 46.19 44.31 2e4m s LEU 245 CO 0.01 -0.33 0.49 -0.31 0.02 0.00 0.00 176.35 176.23 2e4m s TYR 246 N 1.22 3.55 -0.00 0.29 2.02 0.04 -1.30 117.35 123.17 2e4m s TYR 246 Ca -0.01 0.95 -0.30 0.00 -0.37 0.00 0.00 57.07 57.34 2e4m s TYR 246 Cb -0.20 -2.55 -0.03 0.00 -0.40 0.00 0.00 41.96 38.78 2e4m s TYR 246 CO -0.02 0.22 0.97 1.21 -1.57 0.00 0.00 175.55 176.37 2e4m s ASN 247 N 0.40 7.36 0.51 2.29 3.84 -0.58 -0.26 114.94 128.51 2e4m s ASN 247 Ca 0.27 1.65 0.24 0.00 0.21 0.00 0.00 52.86 55.23 2e4m s ASN 247 Cb -0.16 -2.57 1.38 0.00 -0.55 0.00 0.00 41.25 39.36 2e4m s ASN 247 CO 0.12 -0.26 2.07 -0.07 -2.79 0.00 0.00 177.10 176.17 2e4m h LEU 248 N 6.80 0.00 -1.23 3.21 4.07 -1.03 -1.68 115.31 125.44 2e4m h LEU 248 Ca -0.41 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.49 2e4m h LEU 248 Cb 1.22 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.94 2e4m h LEU 248 CO 0.75 0.12 -0.10 -0.61 -1.08 0.00 0.00 178.44 177.52 2e4m h GLN 249 N 0.00 0.41 -1.80 1.13 5.75 -1.79 -3.38 115.11 115.43 2e4m h GLN 249 Ca -0.00 -0.10 -0.27 0.00 -0.15 0.00 0.00 58.65 58.13 2e4m h GLN 249 Cb 0.29 -0.05 -0.29 0.00 1.07 0.00 0.00 27.48 28.50 2e4m h GLN 249 CO 0.02 0.52 -0.60 0.34 -2.65 0.00 0.00 178.83 176.45 2e4m s ASP 250 N -6.80 0.71 0.00 -0.69 -1.08 -0.70 -5.02 116.67 103.08 2e4m s ASP 250 Ca -0.07 -0.95 0.16 0.00 -0.52 0.00 0.00 52.55 51.17 2e4m s ASP 250 Cb 0.15 0.88 0.97 0.00 -1.46 0.00 0.00 42.92 43.46 2e4m s ASP 250 CO 0.76 -0.30 1.38 0.35 0.52 0.00 0.00 175.17 177.87 2e4m n THR 251 N 4.82 0.00 1.62 1.71 -2.24 -0.80 -0.79 114.28 118.60 2e4m n THR 251 Ca 0.05 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.95 2e4m n THR 251 Cb 0.48 -0.74 0.53 0.00 -2.10 0.00 0.00 70.33 68.50 2e4m n THR 251 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2e4m n ASN 252 N -1.00 0.90 -4.18 3.42 5.03 -1.26 -4.79 115.26 113.38 2e4m n ASN 252 Ca 0.12 -1.49 -0.25 0.00 0.87 0.00 0.00 54.58 53.83 2e4m n ASN 252 Cb 0.06 -0.04 -0.15 0.00 -1.02 0.00 0.00 39.78 38.62 2e4m n ASN 252 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 2e4m s ARG 253 N -1.92 1.44 0.20 3.52 0.52 0.03 -0.02 118.95 122.73 2e4m s ARG 253 Ca 0.34 -0.67 0.03 0.00 -0.52 0.00 0.00 55.73 54.92 2e4m s ARG 253 Cb 0.17 -1.40 -0.05 0.00 0.52 0.00 0.00 34.95 34.19 2e4m s ARG 253 CO 0.28 0.38 -0.02 0.14 0.02 0.00 0.00 175.30 176.10 2e4m s VAL 254 N -0.46 0.94 0.10 3.52 -7.23 0.28 -1.52 120.40 116.02 2e4m s VAL 254 Ca 0.07 -2.02 -0.31 0.00 -1.81 0.00 0.00 61.98 57.91 2e4m s VAL 254 Cb -0.07 -2.20 -0.10 0.00 0.56 0.00 0.00 36.38 34.57 2e4m s VAL 254 CO -0.00 -0.43 1.77 -0.22 -0.31 0.00 0.00 175.10 175.90 2e4m s LEU 255 N -3.24 4.39 -0.13 1.32 2.96 -0.42 -1.19 118.68 122.36 2e4m s LEU 255 Ca 0.25 2.65 -0.06 0.00 -0.22 0.00 0.00 54.13 56.76 2e4m s LEU 255 Cb 0.05 -3.56 0.06 0.00 0.50 0.00 0.00 46.19 43.23 2e4m s LEU 255 CO 0.06 -0.96 0.30 -0.62 -1.32 0.00 0.00 176.35 173.81 2e4m s ASP 256 N 2.65 -0.21 -0.23 3.68 3.68 -0.07 -4.57 116.67 121.60 2e4m s ASP 256 Ca 0.79 0.66 -0.26 0.00 2.13 0.00 0.00 52.55 55.86 2e4m s ASP 256 Cb -0.44 0.62 -0.00 0.00 -1.45 0.00 0.00 42.92 41.65 2e4m s ASP 256 CO 0.35 -0.19 0.90 -0.69 0.13 0.00 0.00 175.17 175.67 2e4m s VAL 257 N 1.60 4.79 -0.03 1.11 1.01 -0.40 -0.20 120.40 128.29 2e4m s VAL 257 Ca -0.07 1.73 -0.34 0.00 0.00 0.00 0.00 61.98 63.31 2e4m s VAL 257 Cb -0.10 -4.18 -0.12 0.00 0.00 0.00 0.00 36.38 31.97 2e4m s VAL 257 CO -0.10 -0.10 1.84 0.00 0.00 0.00 0.00 175.10 176.74 2e4m n TYR 258 N 6.02 2.35 -2.86 5.22 9.36 -0.81 -2.22 117.16 134.23 2e4m n TYR 258 Ca 0.08 -0.01 -0.17 0.00 3.32 0.00 0.00 57.90 61.12 2e4m n TYR 258 Cb 0.47 -2.66 -0.00 0.00 -0.63 0.00 0.00 39.34 36.52 2e4m n TYR 258 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 2e4m n ASN 259 N 6.17 -3.73 -1.83 2.98 3.02 -1.26 -2.12 115.26 118.49 2e4m n ASN 259 Ca 0.21 -0.05 -0.10 0.00 -0.03 0.00 0.00 54.58 54.61 2e4m n ASN 259 Cb 0.31 -3.13 -0.02 0.00 -0.61 0.00 0.00 39.78 36.32 2e4m n ASN 259 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2e4m n SER 260 N -2.02 -2.91 -4.79 6.41 7.64 -0.94 -4.95 113.62 112.06 2e4m n SER 260 Ca -0.08 0.25 -0.35 0.00 1.01 0.00 0.00 58.87 59.70 2e4m n SER 260 Cb 0.57 -2.68 -0.04 0.00 -1.01 0.00 0.00 64.21 61.06 2e4m n SER 260 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2e4m s GLN 261 N -3.85 4.01 0.00 1.43 -1.52 -0.90 -4.99 119.66 113.84 2e4m s GLN 261 Ca 0.00 1.38 0.00 0.00 -1.95 0.00 0.00 55.36 54.79 2e4m s GLN 261 Cb 0.00 -2.29 0.00 0.00 -0.22 0.00 0.00 33.01 30.50 2e4m s GLN 261 CO 0.00 -0.25 0.69 0.25 -0.25 0.00 0.00 175.29 175.73 2e4m n THR 262 N -0.55 0.46 -1.75 -0.19 -2.24 -1.26 -4.81 114.28 103.94 2e4m n THR 262 Ca 0.07 -0.65 -0.38 0.00 -2.27 0.00 0.00 64.05 60.82 2e4m n THR 262 Cb 0.52 0.84 0.05 0.00 -2.10 0.00 0.00 70.33 69.64 2e4m n THR 262 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2e4m s ALA 263 N -0.46 2.73 0.02 6.98 0.00 -1.26 -4.92 121.76 124.86 2e4m s ALA 263 Ca 0.00 1.33 -0.35 0.00 0.00 0.00 0.00 51.96 52.95 2e4m s ALA 263 Cb 0.00 -3.58 -0.14 0.00 0.00 0.00 0.00 23.12 19.41 2e4m s ALA 263 CO 0.00 -1.46 1.68 0.09 0.00 0.00 0.00 175.76 176.07 2e4m n ASN 264 N -1.23 3.01 0.00 0.00 5.03 -1.26 -1.69 115.26 119.13 2e4m n ASN 264 Ca 0.12 1.04 0.00 0.00 0.87 0.00 0.00 54.58 56.61 2e4m n ASN 264 Cb 0.45 -1.36 0.00 0.00 -1.02 0.00 0.00 39.78 37.86 2e4m n ASN 264 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2e4m n GLY 265 N 3.75 0.35 3.75 7.41 0.00 0.71 -5.02 105.19 116.14 2e4m n GLY 265 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 2e4m n GLY 265 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2e4m s THR 266 N -2.02 2.29 0.37 2.61 2.01 -0.68 -4.69 115.64 115.53 2e4m s THR 266 Ca 0.00 0.25 -0.27 0.00 0.31 0.00 0.00 61.69 61.98 2e4m s THR 266 Cb 0.00 -3.16 -0.09 0.00 0.01 0.00 0.00 72.50 69.26 2e4m s THR 266 CO 0.00 0.04 1.18 -1.00 -0.69 0.00 0.00 174.62 174.15 2e4m s HIS 267 N -0.09 3.16 -0.13 4.92 3.76 -1.26 -0.92 115.29 124.73 2e4m s HIS 267 Ca 0.61 1.56 -0.04 0.00 -0.15 0.00 0.00 55.06 57.04 2e4m s HIS 267 Cb -0.45 -3.42 -0.03 0.00 1.11 0.00 0.00 32.58 29.79 2e4m s HIS 267 CO 0.47 -1.25 0.02 0.08 -0.85 0.00 0.00 174.74 173.21 2e4m s VAL 268 N -1.33 4.46 0.35 -0.90 1.01 -1.19 -1.92 120.40 120.89 2e4m s VAL 268 Ca 0.53 -0.17 0.04 0.00 0.00 0.00 0.00 61.98 62.38 2e4m s VAL 268 Cb -0.32 -2.94 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 2e4m s VAL 268 CO 0.41 0.54 0.15 0.27 0.00 0.00 0.00 175.10 176.47 2e4m s ILE 269 N -0.24 0.46 -0.19 2.22 -4.36 0.72 -2.22 121.20 117.59 2e4m s ILE 269 Ca 0.06 -2.00 -0.02 0.00 -0.26 0.00 0.00 60.65 58.43 2e4m s ILE 269 Cb -0.12 -2.47 -0.00 0.00 1.25 0.00 0.00 42.46 41.12 2e4m s ILE 269 CO 0.02 0.00 -0.09 -0.69 0.24 0.00 0.00 174.94 174.42 2e4m s VAL 270 N -3.41 3.05 0.13 8.37 1.01 -0.39 -0.90 120.40 128.26 2e4m s VAL 270 Ca 0.32 -0.61 -0.10 0.00 0.00 0.00 0.00 61.98 61.58 2e4m s VAL 270 Cb 0.04 -2.35 0.00 0.00 0.00 0.00 0.00 36.38 34.07 2e4m s VAL 270 CO 0.17 0.47 0.27 -0.62 0.00 0.00 0.00 175.10 175.39 2e4m s ASP 271 N 1.21 0.02 0.06 3.32 3.68 -0.33 -4.84 116.67 119.78 2e4m s ASP 271 Ca 0.02 -0.68 -0.37 0.00 2.13 0.00 0.00 52.55 53.65 2e4m s ASP 271 Cb -0.14 0.40 -0.17 0.00 -1.45 0.00 0.00 42.92 41.56 2e4m s ASP 271 CO -0.03 -0.82 1.32 -1.20 0.13 0.00 0.00 175.17 174.57 2e4m n SER 272 N -0.15 1.46 -4.74 -0.34 7.64 -1.26 -0.56 113.62 115.66 2e4m n SER 272 Ca -0.12 1.12 -0.42 0.00 1.01 0.00 0.00 58.87 60.47 2e4m n SER 272 Cb 0.63 -1.15 -0.02 0.00 -1.01 0.00 0.00 64.21 62.66 2e4m n SER 272 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 2e4m s TYR 273 N 0.56 2.91 0.00 1.43 5.04 0.97 -4.80 117.35 123.46 2e4m s TYR 273 Ca 0.86 0.84 0.00 0.00 -2.44 0.00 0.00 57.07 56.33 2e4m s TYR 273 Cb -1.00 -3.95 0.00 0.00 0.35 0.00 0.00 41.96 37.35 2e4m s TYR 273 CO 0.49 -3.24 0.00 -2.39 -1.34 0.00 0.00 175.55 169.07 2e4m n HIS 274 N 2.56 0.00 -0.56 4.97 1.44 -1.26 -5.04 115.22 117.33 2e4m n HIS 274 Ca 0.09 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.80 2e4m n HIS 274 Cb 0.39 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.50 2e4m n HIS 274 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2e4m n GLY 275 N 0.71 0.75 3.55 -1.39 0.00 -1.26 -5.06 105.19 102.49 2e4m n GLY 275 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2e4m n GLY 275 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2e4m s ASN 276 N -2.53 1.32 0.51 1.61 0.02 -1.26 -4.81 114.94 109.80 2e4m s ASN 276 Ca 0.00 1.25 0.16 0.00 -1.02 0.00 0.00 52.86 53.25 2e4m s ASN 276 Cb 0.00 -1.94 1.24 0.00 0.02 0.00 0.00 41.25 40.57 2e4m s ASN 276 CO 0.00 -3.95 2.14 0.71 0.02 0.00 0.00 177.10 176.02 2e4m h THR 277 N -2.45 1.00 0.00 1.60 1.35 -1.97 0.04 112.91 112.47 2e4m h THR 277 Ca -0.58 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 2e4m h THR 277 Cb 1.34 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.71 2e4m h THR 277 CO 0.51 0.01 0.00 -0.46 -0.25 0.00 0.00 175.52 175.33 2e4m n ASN 278 N -4.53 0.00 -0.77 5.36 2.04 -1.26 -1.78 115.26 114.32 2e4m n ASN 278 Ca -0.02 0.40 0.09 0.00 -0.44 0.00 0.00 54.58 54.60 2e4m n ASN 278 Cb 0.10 -0.45 0.11 0.00 -2.53 0.00 0.00 39.78 37.02 2e4m n ASN 278 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2e4m n GLN 279 N -1.45 1.74 -3.74 -3.83 6.02 -0.00 -1.27 117.38 114.85 2e4m n GLN 279 Ca 0.04 -1.73 -0.37 0.00 -0.01 0.00 0.00 57.00 54.93 2e4m n GLN 279 Cb 0.15 -1.35 -0.07 0.00 1.02 0.00 0.00 30.24 29.99 2e4m n GLN 279 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2e4m s GLN 280 N -1.35 3.81 0.02 -1.09 -0.21 -0.74 -4.56 119.66 115.55 2e4m s GLN 280 Ca 0.24 -0.05 0.06 0.00 0.02 0.00 0.00 55.36 55.63 2e4m s GLN 280 Cb 0.16 -3.29 -0.02 0.00 1.00 0.00 0.00 33.01 30.86 2e4m s GLN 280 CO 0.23 0.57 -0.18 -1.58 -2.12 0.00 0.00 175.29 172.21 2e4m s TRP 281 N -0.47 1.57 -0.25 0.91 0.52 -0.36 -1.24 118.94 119.63 2e4m s TRP 281 Ca 0.15 -0.34 -0.07 0.00 0.02 0.00 0.00 56.10 55.85 2e4m s TRP 281 Cb -0.12 -0.96 -0.03 0.00 -1.15 0.00 0.00 33.47 31.21 2e4m s TRP 281 CO 0.04 0.04 0.07 0.42 0.02 0.00 0.00 176.95 177.54 2e4m s ILE 282 N -0.67 4.31 -0.21 2.03 1.01 0.19 -0.78 121.20 127.09 2e4m s ILE 282 Ca 0.06 -0.20 -0.04 0.00 0.00 0.00 0.00 60.65 60.46 2e4m s ILE 282 Cb -0.08 -3.03 -0.02 0.00 0.01 0.00 0.00 42.46 39.34 2e4m s ILE 282 CO 0.01 0.32 -0.02 -0.63 0.00 0.00 0.00 174.94 174.61 2e4m s ILE 283 N 1.61 3.69 0.10 2.92 1.01 -1.26 -0.14 121.20 129.13 2e4m s ILE 283 Ca 0.06 -0.40 0.07 0.00 0.00 0.00 0.00 60.65 60.38 2e4m s ILE 283 Cb -0.15 -2.67 -0.03 0.00 0.01 0.00 0.00 42.46 39.61 2e4m s ILE 283 CO 0.04 0.43 -0.17 0.20 0.00 0.00 0.00 174.94 175.43 2e4m s ASN 284 N 1.18 2.17 0.48 3.58 -0.87 -0.69 -4.99 114.94 115.81 2e4m s ASN 284 Ca 0.03 -0.71 -0.23 0.00 -1.57 0.00 0.00 52.86 50.38 2e4m s ASN 284 Cb -0.14 -0.10 -0.07 0.00 -0.02 0.00 0.00 41.25 40.92 2e4m s ASN 284 CO 0.00 -0.04 1.22 -0.76 -2.57 0.00 0.00 177.10 174.95 2e4m s LEU 285 N -2.06 3.97 0.00 0.60 1.43 -1.26 -0.80 118.68 120.56 2e4m s LEU 285 Ca 0.05 2.44 0.00 0.00 -1.03 0.00 0.00 54.13 55.59 2e4m s LEU 285 Cb -0.08 -4.25 0.00 0.00 0.03 0.00 0.00 46.19 41.89 2e4m s LEU 285 CO 0.04 -1.10 0.44 -0.38 0.23 0.00 0.00 176.35 175.57