#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h4x n THR 26 N 0.00 0.00 -3.76 0.00 -2.24 -1.26 -5.09 114.28 101.93 3h4x n THR 26 Ca 0.00 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.55 3h4x n THR 26 Cb 0.00 -0.27 -0.03 0.00 -2.10 0.00 0.00 70.33 67.92 3h4x n THR 26 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3h4x s THR 27 N -0.00 2.27 0.59 4.28 -4.23 -1.26 -1.39 115.64 115.90 3h4x s THR 27 Ca 0.00 -1.45 0.40 0.00 -1.18 0.00 0.00 61.69 59.45 3h4x s THR 27 Cb 0.00 -2.72 0.41 0.00 1.34 0.00 0.00 72.50 71.53 3h4x s THR 27 CO 0.00 0.00 2.30 0.22 -0.54 0.00 0.00 174.62 176.60 3h4x h TYR 28 N 1.01 0.00 -0.02 3.99 3.20 -1.61 -1.82 116.97 121.72 3h4x h TYR 28 Ca -0.40 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.47 3h4x h TYR 28 Cb 1.27 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.54 3h4x h TYR 28 CO 0.67 0.01 -0.30 0.41 -1.64 0.00 0.00 178.16 177.31 3h4x n GLY 29 N -1.01 0.21 0.07 1.82 0.00 -1.26 -4.37 105.19 100.64 3h4x n GLY 29 Ca -0.03 -0.62 0.07 0.00 0.00 0.00 0.00 46.02 45.44 3h4x n GLY 29 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3h4x n THR 30 N 0.27 1.53 -4.46 2.61 -2.24 -0.69 -4.87 114.28 106.43 3h4x n THR 30 Ca 0.11 -1.78 -0.24 0.00 -2.27 0.00 0.00 64.05 59.88 3h4x n THR 30 Cb 0.48 0.02 -0.10 0.00 -2.10 0.00 0.00 70.33 68.63 3h4x n THR 30 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3h4x s SER 31 N -2.23 3.49 -0.09 3.42 1.04 -1.17 -1.17 113.70 116.99 3h4x s SER 31 Ca 0.21 -1.02 0.04 0.00 0.48 0.00 0.00 55.95 55.66 3h4x s SER 31 Cb 0.19 -0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.02 3h4x s SER 31 CO 0.02 0.03 -0.21 -0.89 0.98 0.00 0.00 173.24 173.16 3h4x s THR 32 N -2.49 1.85 0.23 2.02 2.01 0.78 -4.44 115.64 115.61 3h4x s THR 32 Ca 0.29 -0.90 0.05 0.00 0.31 0.00 0.00 61.69 61.43 3h4x s THR 32 Cb -0.05 -1.61 -0.02 0.00 0.01 0.00 0.00 72.50 70.84 3h4x s THR 32 CO 0.14 0.51 0.17 -1.54 -0.69 0.00 0.00 174.62 173.21 3h4x n SER 33 N 3.54 -0.13 -4.22 3.53 3.41 -0.13 -1.18 113.62 118.43 3h4x n SER 33 Ca -0.20 -2.47 -0.27 0.00 -0.26 0.00 0.00 58.87 55.67 3h4x n SER 33 Cb 0.53 1.03 -0.16 0.00 -0.26 0.00 0.00 64.21 65.35 3h4x n SER 33 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3h4x s VAL 34 N -2.84 1.62 0.27 -3.33 1.01 -1.25 -1.06 120.40 114.82 3h4x s VAL 34 Ca 0.24 -0.89 0.09 0.00 0.00 0.00 0.00 61.98 61.42 3h4x s VAL 34 Cb 0.01 -1.35 -0.05 0.00 0.00 0.00 0.00 36.38 34.99 3h4x s VAL 34 CO 0.17 0.45 -0.13 -0.83 0.00 0.00 0.00 175.10 174.76 3h4x s GLY 35 N -0.51 1.77 -0.17 4.51 0.00 0.02 -0.26 107.32 112.67 3h4x s GLY 35 Ca 0.08 -1.85 0.01 0.00 0.00 0.00 0.00 44.72 42.96 3h4x s GLY 35 CO -0.01 -1.88 -0.18 0.14 0.00 0.00 0.00 173.10 171.17 3h4x s VAL 36 N -2.80 2.29 0.39 1.40 1.01 -0.31 -2.64 120.40 119.73 3h4x s VAL 36 Ca 0.28 -0.88 -0.25 0.00 0.00 0.00 0.00 61.98 61.13 3h4x s VAL 36 Cb -0.00 -1.96 -0.09 0.00 0.00 0.00 0.00 36.38 34.33 3h4x s VAL 36 CO 0.12 0.53 1.12 -2.28 0.00 0.00 0.00 175.10 174.58 3h4x s HIS 37 N 1.09 3.18 -1.26 5.22 2.46 -0.09 -2.15 115.29 123.73 3h4x s HIS 37 Ca -0.00 1.60 -0.09 0.00 0.47 0.00 0.00 55.06 57.04 3h4x s HIS 37 Cb -0.14 -3.28 -0.01 0.00 -0.13 0.00 0.00 32.58 29.02 3h4x s HIS 37 CO -0.07 -1.00 0.65 0.09 -2.47 0.00 0.00 174.74 171.95 3h4x n ASN 38 N 0.10 -2.78 0.00 9.88 4.13 -1.22 -4.84 115.26 120.53 3h4x n ASN 38 Ca 0.04 -0.96 0.10 0.00 1.68 0.00 0.00 54.58 55.44 3h4x n ASN 38 Cb 0.48 -3.46 0.46 0.00 -1.54 0.00 0.00 39.78 35.72 3h4x n ASN 38 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3h4x n ALA 39 N -4.25 1.98 1.54 5.41 0.00 -0.37 -2.48 120.51 122.34 3h4x n ALA 39 Ca -0.21 -0.08 0.14 0.00 0.00 0.00 0.00 53.44 53.29 3h4x n ALA 39 Cb 0.64 -1.33 0.57 0.00 0.00 0.00 0.00 19.45 19.33 3h4x n ALA 39 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 3h4x n TYR 40 N -1.45 0.00 -2.77 0.00 0.18 -1.26 -4.66 117.16 107.20 3h4x n TYR 40 Ca 0.06 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.42 3h4x n TYR 40 Cb 0.22 -0.02 -0.03 0.00 -0.38 0.00 0.00 39.34 39.13 3h4x n TYR 40 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 3h4x s GLU 41 N -2.07 4.47 0.54 -3.48 2.02 -1.03 -0.50 118.70 118.65 3h4x s GLU 41 Ca 0.38 1.29 0.21 0.00 0.02 0.00 0.00 54.97 56.87 3h4x s GLU 41 Cb 0.21 -3.50 1.45 0.00 0.10 0.00 0.00 34.13 32.39 3h4x s GLU 41 CO 0.37 -0.15 2.17 0.87 0.02 0.00 0.00 175.26 178.53 3h4x h LYS 42 N 6.95 0.00 0.00 1.61 1.57 -1.87 -0.77 116.57 124.06 3h4x h LYS 42 Ca -0.37 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.36 3h4x h LYS 42 Cb 1.18 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 3h4x h LYS 42 CO 0.79 0.00 -0.28 1.49 -0.57 0.00 0.00 179.45 180.88 3h4x h GLU 43 N 0.00 0.00 0.04 3.15 4.81 -1.94 -3.18 114.58 117.46 3h4x h GLU 43 Ca 0.02 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.04 3h4x h GLU 43 Cb 0.10 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 3h4x h GLU 43 CO -0.00 0.28 -1.12 0.87 -0.73 0.00 0.00 179.01 178.31 3h4x h LYS 44 N 0.00 0.08 -3.52 1.92 1.57 -1.52 -3.47 116.57 111.63 3h4x h LYS 44 Ca -0.00 -0.14 -0.40 0.00 -1.87 0.00 0.00 60.65 58.24 3h4x h LYS 44 Cb 0.52 0.05 -0.38 0.00 0.08 0.00 0.00 32.23 32.49 3h4x h LYS 44 CO 0.04 1.07 -0.75 0.71 -0.57 0.00 0.00 179.45 179.94 3h4x s TYR 45 N -2.38 0.37 0.20 -1.35 2.02 -0.71 -4.98 117.35 110.52 3h4x s TYR 45 Ca -0.24 0.04 -0.11 0.00 -0.37 0.00 0.00 57.07 56.39 3h4x s TYR 45 Cb 0.04 -0.63 0.23 0.00 -0.40 0.00 0.00 41.96 41.20 3h4x s TYR 45 CO 0.67 -0.25 1.77 -0.09 -1.57 0.00 0.00 175.55 176.07 3h4x h ARG 46 N 8.32 0.46 -6.17 -0.62 2.43 -1.84 -3.34 114.38 113.62 3h4x h ARG 46 Ca -0.17 -0.03 -0.56 0.00 -0.81 0.00 0.00 59.98 58.41 3h4x h ARG 46 Cb 1.12 -0.10 -0.20 0.00 -0.42 0.00 0.00 29.97 30.37 3h4x h ARG 46 CO 0.22 0.30 -0.81 0.71 -1.51 0.00 0.00 179.97 178.88 3h4x s TYR 47 N -6.10 1.88 0.52 2.20 2.02 -1.26 -4.74 117.35 111.87 3h4x s TYR 47 Ca -0.13 -0.43 0.20 0.00 -0.37 0.00 0.00 57.07 56.34 3h4x s TYR 47 Cb 0.16 -0.99 1.31 0.00 -0.40 0.00 0.00 41.96 42.04 3h4x s TYR 47 CO 0.74 0.29 2.09 0.35 -1.57 0.00 0.00 175.55 177.45 3h4x h PHE 48 N 3.66 0.01 -0.72 2.71 3.57 -1.28 0.11 116.94 125.00 3h4x h PHE 48 Ca -0.45 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.15 3h4x h PHE 48 Cb 1.19 -0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.88 3h4x h PHE 48 CO 0.65 0.01 0.48 0.00 -2.23 0.00 0.00 178.31 177.21 3h4x h ALA 49 N 1.89 1.89 -0.31 2.41 0.00 -1.93 -0.21 119.26 122.99 3h4x h ALA 49 Ca 0.11 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 3h4x h ALA 49 Cb 0.41 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3h4x h ALA 49 CO -0.00 -0.05 -0.23 -0.44 0.00 0.00 0.00 179.25 178.53 3h4x h ASP 50 N 0.58 0.61 -0.47 0.00 3.32 -1.16 0.30 116.42 119.60 3h4x h ASP 50 Ca 0.33 -0.21 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 3h4x h ASP 50 Cb 0.53 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 3h4x h ASP 50 CO -0.12 0.83 0.16 0.00 -1.72 0.00 0.00 179.24 178.40 3h4x h ALA 51 N 1.22 0.62 -0.53 3.45 0.00 -1.02 -1.79 119.26 121.20 3h4x h ALA 51 Ca 0.08 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3h4x h ALA 51 Cb 0.69 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3h4x h ALA 51 CO 0.05 0.25 0.14 -0.07 0.00 0.00 0.00 179.25 179.62 3h4x h LEU 52 N 0.62 0.75 -0.21 0.00 3.38 -0.88 -2.44 115.31 116.54 3h4x h LEU 52 Ca 0.15 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3h4x h LEU 52 Cb 0.25 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3h4x h LEU 52 CO -0.01 0.73 -0.01 0.47 0.09 0.00 0.00 178.44 179.71 3h4x n ASP 53 N -4.28 0.33 0.23 -0.43 8.00 0.07 -3.94 116.55 116.53 3h4x n ASP 53 Ca 0.04 -1.02 0.10 0.00 0.71 0.00 0.00 54.79 54.62 3h4x n ASP 53 Cb 0.22 -0.02 0.55 0.00 -0.02 0.00 0.00 41.12 41.84 3h4x n ASP 53 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 3h4x h SER 54 N 0.51 0.00 0.00 -2.24 4.64 -0.81 -3.47 113.55 112.18 3h4x h SER 54 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3h4x h SER 54 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3h4x h SER 54 CO 0.00 0.21 0.00 0.61 -0.87 0.00 0.00 176.83 176.78 3h4x n GLY 55 N -0.22 0.81 3.72 -0.77 0.00 -1.25 -4.58 105.19 102.90 3h4x n GLY 55 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 3h4x n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h4x n ALA 56 N -1.44 1.32 0.15 4.61 0.00 -1.25 -3.96 120.51 119.95 3h4x n ALA 56 Ca 0.00 0.12 0.11 0.00 0.00 0.00 0.00 53.44 53.68 3h4x n ALA 56 Cb 0.00 -2.31 0.06 0.00 0.00 0.00 0.00 19.45 17.20 3h4x n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h4x h ALA 57 N 1.33 0.68 -3.53 0.00 0.00 -0.77 -3.46 119.26 113.52 3h4x h ALA 57 Ca -0.50 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.08 3h4x h ALA 57 Cb 1.31 0.00 -0.34 0.00 0.00 0.00 0.00 17.79 18.77 3h4x h ALA 57 CO 0.56 0.02 -0.74 -1.17 0.00 0.00 0.00 179.25 177.92 3h4x s LEU 58 N -5.68 1.17 -0.09 0.00 0.20 -1.15 -1.00 118.68 112.13 3h4x s LEU 58 Ca 0.02 0.01 0.03 0.00 0.69 0.00 0.00 54.13 54.88 3h4x s LEU 58 Cb 0.08 -0.13 0.01 0.00 -0.43 0.00 0.00 46.19 45.72 3h4x s LEU 58 CO 0.75 -0.11 -0.17 -0.76 -0.29 0.00 0.00 176.35 175.77 3h4x s LEU 59 N 0.99 1.81 -0.12 -0.68 1.43 -0.23 -1.17 118.68 120.71 3h4x s LEU 59 Ca -0.09 -0.42 -0.05 0.00 -1.03 0.00 0.00 54.13 52.54 3h4x s LEU 59 Cb -0.12 -1.08 -0.04 0.00 0.03 0.00 0.00 46.19 44.97 3h4x s LEU 59 CO -0.02 0.07 0.08 -0.70 0.23 0.00 0.00 176.35 176.01 3h4x s GLU 60 N 0.63 3.38 -0.02 1.70 -6.30 -0.91 -1.08 118.70 116.11 3h4x s GLU 60 Ca -0.14 -0.26 0.05 0.00 -2.50 0.00 0.00 54.97 52.12 3h4x s GLU 60 Cb -0.16 -3.06 -0.01 0.00 0.00 0.00 0.00 34.13 30.89 3h4x s GLU 60 CO 0.04 0.67 -0.16 -0.51 0.02 0.00 0.00 175.26 175.32 3h4x s LEU 61 N -0.74 2.01 -0.25 2.70 1.43 0.73 -1.24 118.68 123.33 3h4x s LEU 61 Ca 0.12 -0.30 -0.08 0.00 -1.03 0.00 0.00 54.13 52.85 3h4x s LEU 61 Cb -0.12 -0.84 -0.03 0.00 0.03 0.00 0.00 46.19 45.23 3h4x s LEU 61 CO 0.03 0.19 0.09 -1.81 0.23 0.00 0.00 176.35 175.08 3h4x s ASP 62 N -0.33 5.28 0.10 2.29 1.01 -1.26 -0.96 116.67 122.80 3h4x s ASP 62 Ca 0.05 -0.17 0.09 0.00 0.71 0.00 0.00 52.55 53.23 3h4x s ASP 62 Cb -0.07 -1.95 -0.04 0.00 1.01 0.00 0.00 42.92 41.87 3h4x s ASP 62 CO -0.00 -0.03 -0.18 -0.76 0.21 0.00 0.00 175.17 174.40 3h4x s LEU 63 N 1.62 2.69 -0.11 1.23 1.43 -0.45 -2.63 118.68 122.45 3h4x s LEU 63 Ca 0.06 -0.54 0.02 0.00 -1.03 0.00 0.00 54.13 52.65 3h4x s LEU 63 Cb -0.15 -1.54 0.01 0.00 0.03 0.00 0.00 46.19 44.54 3h4x s LEU 63 CO 0.05 0.19 -0.17 0.26 0.23 0.00 0.00 176.35 176.91 3h4x s TRP 64 N -1.11 2.12 -0.25 0.29 0.52 -0.33 -0.62 118.94 119.58 3h4x s TRP 64 Ca 0.17 -0.98 0.15 0.00 0.02 0.00 0.00 56.10 55.47 3h4x s TRP 64 Cb -0.11 -1.50 -0.22 0.00 -1.15 0.00 0.00 33.47 30.50 3h4x s TRP 64 CO 0.09 -0.47 0.44 0.43 0.02 0.00 0.00 176.95 177.46 3h4x n SER 65 N 4.04 1.20 -0.83 2.95 7.64 -1.26 -1.75 113.62 125.61 3h4x n SER 65 Ca -0.20 -0.28 0.07 0.00 1.01 0.00 0.00 58.87 59.48 3h4x n SER 65 Cb 0.52 1.48 0.21 0.00 -1.01 0.00 0.00 64.21 65.41 3h4x n SER 65 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3h4x n ASN 66 N -1.82 3.41 -4.71 6.43 3.02 -1.26 -4.60 115.26 115.73 3h4x n ASN 66 Ca -0.01 -2.31 -0.30 0.00 -0.03 0.00 0.00 54.58 51.94 3h4x n ASN 66 Cb 0.35 -0.36 0.14 0.00 -0.61 0.00 0.00 39.78 39.30 3h4x n ASN 66 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h4x s ALA 67 N -1.55 1.47 0.55 5.41 0.00 -1.26 -5.01 121.76 121.35 3h4x s ALA 67 Ca 0.32 -0.14 -0.17 0.00 0.00 0.00 0.00 51.96 51.98 3h4x s ALA 67 Cb 0.20 -3.17 -0.06 0.00 0.00 0.00 0.00 23.12 20.09 3h4x s ALA 67 CO 0.16 -2.42 1.03 -0.51 0.00 0.00 0.00 175.76 174.02 3h4x s LEU 68 N -6.24 3.61 0.00 0.00 1.43 -1.26 -4.90 118.68 111.31 3h4x s LEU 68 Ca 0.64 1.75 0.00 0.00 -1.03 0.00 0.00 54.13 55.48 3h4x s LEU 68 Cb -0.18 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 41.51 3h4x s LEU 68 CO 0.57 -0.89 0.00 0.61 0.23 0.00 0.00 176.35 176.87 3h4x n GLY 69 N -1.05 -1.99 3.85 -3.19 0.00 -1.26 -4.92 105.19 96.63 3h4x n GLY 69 Ca 0.08 -1.38 -0.30 0.00 0.00 0.00 0.00 46.02 44.41 3h4x n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h4x s ARG 70 N -0.44 2.80 0.00 1.61 0.52 -1.26 -4.98 118.95 117.20 3h4x s ARG 70 Ca 0.00 0.63 0.00 0.00 -0.52 0.00 0.00 55.73 55.84 3h4x s ARG 70 Cb 0.00 -2.00 0.00 0.00 0.52 0.00 0.00 34.95 33.47 3h4x s ARG 70 CO 0.00 -1.11 0.00 -1.13 0.02 0.00 0.00 175.30 173.08 3h4x n SER 71 N -3.09 -0.08 -4.65 0.23 3.41 -1.26 -4.93 113.62 103.26 3h4x n SER 71 Ca 0.07 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.27 3h4x n SER 71 Cb 0.56 0.39 -0.05 0.00 -0.26 0.00 0.00 64.21 64.85 3h4x n SER 71 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 3h4x s TRP 72 N -2.50 3.34 0.35 7.33 0.51 -1.26 -4.87 118.94 121.83 3h4x s TRP 72 Ca 0.00 0.99 -0.25 0.00 -2.12 0.00 0.00 56.10 54.73 3h4x s TRP 72 Cb 0.00 -2.90 -0.10 0.00 -0.81 0.00 0.00 33.47 29.65 3h4x s TRP 72 CO 0.00 -0.28 0.95 1.03 -0.51 0.00 0.00 176.95 178.14 3h4x s ARG 73 N 2.35 4.48 -0.27 4.98 1.81 -0.72 -1.67 118.95 129.91 3h4x s ARG 73 Ca 0.31 1.29 -0.06 0.00 -1.72 0.00 0.00 55.73 55.55 3h4x s ARG 73 Cb -0.16 -2.64 0.00 0.00 -0.45 0.00 0.00 34.95 31.71 3h4x s ARG 73 CO 0.09 0.18 0.03 0.08 -0.68 0.00 0.00 175.30 175.01 3h4x s VAL 74 N -1.75 3.74 -0.26 3.52 1.01 -1.26 -1.18 120.40 124.21 3h4x s VAL 74 Ca 0.53 -0.63 -0.26 0.00 0.00 0.00 0.00 61.98 61.62 3h4x s VAL 74 Cb -0.17 -2.86 0.13 0.00 0.00 0.00 0.00 36.38 33.49 3h4x s VAL 74 CO 0.21 0.20 1.09 -0.55 0.00 0.00 0.00 175.10 176.06 3h4x s SER 75 N 1.49 -0.37 -0.04 3.32 0.15 -1.08 -1.22 113.70 115.95 3h4x s SER 75 Ca 0.03 0.66 -0.26 0.00 0.70 0.00 0.00 55.95 57.09 3h4x s SER 75 Cb -0.16 0.66 -0.21 0.00 -1.71 0.00 0.00 66.02 64.59 3h4x s SER 75 CO 0.00 -0.16 1.18 -0.74 1.20 0.00 0.00 173.24 174.72 3h4x h HIS 76 N 3.73 0.03 -1.19 3.44 -0.00 -1.86 -3.43 115.15 115.86 3h4x h HIS 76 Ca -0.26 -0.01 -0.46 0.00 -0.00 0.00 0.00 60.37 59.64 3h4x h HIS 76 Cb 1.18 -0.01 0.01 0.00 -0.00 0.00 0.00 27.41 28.60 3h4x h HIS 76 CO 0.30 0.60 -0.22 -1.12 -0.00 0.00 0.00 177.93 177.49 3h4x s SER 77 N -5.83 5.36 -0.36 3.26 0.01 -1.26 -5.00 113.70 109.89 3h4x s SER 77 Ca -0.16 -0.64 -0.43 0.00 1.31 0.00 0.00 55.95 56.03 3h4x s SER 77 Cb 0.01 -0.28 -0.18 0.00 0.21 0.00 0.00 66.02 65.78 3h4x s SER 77 CO 0.68 -0.96 1.65 -3.20 0.41 0.00 0.00 173.24 171.83 3h4x n ASN 78 N -1.94 1.80 -4.76 2.44 5.15 -1.26 -4.78 115.26 111.91 3h4x n ASN 78 Ca 0.10 1.13 -0.40 0.00 -0.60 0.00 0.00 54.58 54.80 3h4x n ASN 78 Cb 0.60 -1.02 -0.04 0.00 -0.53 0.00 0.00 39.78 38.79 3h4x n ASN 78 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3h4x s PRO 79 N 3.14 4.50 -0.32 1.20 0.04 -1.26 -5.00 135.00 137.30 3h4x s PRO 79 Ca 1.01 1.89 0.01 0.00 0.04 0.00 0.00 61.00 63.95 3h4x s PRO 79 Cb -1.26 -3.09 0.10 0.00 0.04 0.00 0.00 34.50 30.30 3h4x s PRO 79 CO 0.72 0.06 0.07 -1.17 0.04 0.00 0.00 177.00 176.72 3h4x s LEU 80 N -1.68 3.35 0.00 -3.56 0.20 -1.26 -4.98 118.68 110.76 3h4x s LEU 80 Ca 0.47 -1.85 0.00 0.00 0.69 0.00 0.00 54.13 53.44 3h4x s LEU 80 Cb -0.33 -1.21 0.00 0.00 -0.43 0.00 0.00 46.19 44.22 3h4x s LEU 80 CO 0.43 -0.39 0.00 0.61 -0.29 0.00 0.00 176.35 176.70 3h4x n GLY 81 N 4.58 3.42 3.18 7.98 0.00 -1.26 -4.75 105.19 118.35 3h4x n GLY 81 Ca 0.00 -0.11 -0.11 0.00 0.00 0.00 0.00 46.02 45.80 3h4x n GLY 81 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3h4x s ASN 82 N -4.00 0.82 -0.32 1.61 0.01 -1.26 -4.75 114.94 107.05 3h4x s ASN 82 Ca 0.00 -1.13 -0.01 0.00 -0.71 0.00 0.00 52.86 51.01 3h4x s ASN 82 Cb 0.00 0.18 0.12 0.00 0.41 0.00 0.00 41.25 41.96 3h4x s ASN 82 CO 0.00 -0.60 0.21 0.21 -1.51 0.00 0.00 177.10 175.40 3h4x s ASN 83 N -3.07 2.81 0.22 -1.22 3.84 -0.35 -4.82 114.94 112.34 3h4x s ASN 83 Ca 0.19 -1.53 -0.19 0.00 0.21 0.00 0.00 52.86 51.53 3h4x s ASN 83 Cb 0.07 -0.14 0.03 0.00 -0.55 0.00 0.00 41.25 40.66 3h4x s ASN 83 CO -0.00 -0.37 0.61 -0.94 -2.79 0.00 0.00 177.10 173.60 3h4x s SER 84 N 1.73 -0.31 -0.06 -4.21 1.04 -1.26 -4.23 113.70 106.40 3h4x s SER 84 Ca 0.13 -0.47 0.18 0.00 0.48 0.00 0.00 55.95 56.27 3h4x s SER 84 Cb -0.18 0.64 0.64 0.00 0.10 0.00 0.00 66.02 67.22 3h4x s SER 84 CO -0.20 -1.15 1.54 -0.46 0.98 0.00 0.00 173.24 173.94 3h4x n ASN 85 N -0.40 4.10 -4.77 7.02 0.23 0.35 -1.05 115.26 120.74 3h4x n ASN 85 Ca -0.08 -2.24 -0.39 0.00 -0.53 0.00 0.00 54.58 51.33 3h4x n ASN 85 Cb 0.62 -0.51 -0.06 0.00 -2.08 0.00 0.00 39.78 37.74 3h4x n ASN 85 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3h4x n GLU 87 N 1.45 0.68 -3.23 0.00 1.02 -1.26 -2.30 120.64 117.00 3h4x n GLU 87 Ca -0.04 -0.07 -0.16 0.00 -0.02 0.00 0.00 57.16 56.87 3h4x n GLU 87 Cb 0.48 -1.16 0.06 0.00 -0.02 0.00 0.00 31.44 30.80 3h4x n GLU 87 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3h4x n GLY 88 N 1.95 -0.12 3.76 0.62 0.00 -1.14 -4.80 105.19 105.46 3h4x n GLY 88 Ca -0.01 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 3h4x n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h4x n ALA 89 N -4.07 2.53 0.16 4.61 0.00 -1.26 -4.87 120.51 117.61 3h4x n ALA 89 Ca -0.04 0.36 0.05 0.00 0.00 0.00 0.00 53.44 53.81 3h4x n ALA 89 Cb 0.56 -2.45 0.15 0.00 0.00 0.00 0.00 19.45 17.70 3h4x n ALA 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h4x h ALA 90 N 4.25 0.79 -2.70 0.00 0.00 -1.91 -3.38 119.26 116.31 3h4x h ALA 90 Ca -0.48 -0.38 0.10 0.00 0.00 0.00 0.00 54.91 54.15 3h4x h ALA 90 Cb 1.23 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 3h4x h ALA 90 CO 0.75 0.52 0.40 0.54 0.00 0.00 0.00 179.25 181.45 3h4x s ASN 91 N -6.40 -0.11 0.47 0.00 2.20 -1.26 -4.86 114.94 104.98 3h4x s ASN 91 Ca 0.03 -0.70 0.12 0.00 -0.94 0.00 0.00 52.86 51.37 3h4x s ASN 91 Cb 0.08 0.64 1.07 0.00 -2.00 0.00 0.00 41.25 41.04 3h4x s ASN 91 CO 0.72 -1.23 2.09 0.00 -2.94 0.00 0.00 177.10 175.74 3h4x h ALA 92 N 2.00 1.84 0.00 3.54 0.00 -1.93 -1.26 119.26 123.45 3h4x h ALA 92 Ca -0.26 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 3h4x h ALA 92 Cb 1.24 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 3h4x h ALA 92 CO 0.31 0.14 -0.03 0.66 0.00 0.00 0.00 179.25 180.33 3h4x h SER 93 N 0.22 0.00 0.05 0.00 4.64 -1.96 -2.24 113.55 114.25 3h4x h SER 93 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3h4x h SER 93 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3h4x h SER 93 CO -0.01 0.03 -0.30 -0.62 -0.87 0.00 0.00 176.83 175.05 3h4x n GLU 94 N -3.34 1.32 -2.01 4.77 1.02 -0.48 -4.95 120.64 116.97 3h4x n GLU 94 Ca -0.02 -1.00 -0.41 0.00 -0.02 0.00 0.00 57.16 55.70 3h4x n GLU 94 Cb 0.14 -1.48 -0.02 0.00 -0.02 0.00 0.00 31.44 30.06 3h4x n GLU 94 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3h4x s LEU 95 N -2.37 4.39 -0.96 -4.62 1.43 -0.85 -2.61 118.68 113.09 3h4x s LEU 95 Ca 0.23 2.70 -0.03 0.00 -1.03 0.00 0.00 54.13 56.00 3h4x s LEU 95 Cb 0.19 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.78 3h4x s LEU 95 CO 0.50 -0.69 0.82 0.54 0.23 0.00 0.00 176.35 177.74 3h4x n ARG 96 N 2.00 -5.46 0.00 1.70 1.74 -1.26 -4.93 116.66 110.45 3h4x n ARG 96 Ca 0.05 0.64 0.00 0.00 -0.77 0.00 0.00 57.85 57.78 3h4x n ARG 96 Cb 0.40 -5.08 0.00 0.00 -1.02 0.00 0.00 32.46 26.76 3h4x n ARG 96 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3h4x n THR 97 N -3.78 0.00 -3.64 0.55 -2.24 -1.07 -5.14 114.28 98.95 3h4x n THR 97 Ca -0.14 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.44 3h4x n THR 97 Cb 0.60 0.01 -0.03 0.00 -2.10 0.00 0.00 70.33 68.81 3h4x n THR 97 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3h4x s LYS 98 N -0.26 2.70 0.58 -0.78 1.02 -1.26 -5.09 119.74 116.65 3h4x s LYS 98 Ca 0.00 -1.35 -0.20 0.00 0.02 0.00 0.00 55.97 54.45 3h4x s LYS 98 Cb 0.00 -2.49 -0.04 0.00 -0.52 0.00 0.00 37.83 34.78 3h4x s LYS 98 CO 0.00 -0.03 1.24 -1.54 -0.92 0.00 0.00 175.35 174.10 3h4x s SER 99 N -4.08 5.20 0.00 2.83 1.04 -1.26 -4.93 113.70 112.50 3h4x s SER 99 Ca 0.45 2.48 0.00 0.00 0.48 0.00 0.00 55.95 59.36 3h4x s SER 99 Cb -0.06 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.46 3h4x s SER 99 CO 0.28 -1.59 0.00 0.54 0.98 0.00 0.00 173.24 173.45 3h4x n ARG 100 N -1.44 3.90 -3.44 4.02 1.74 -1.26 -4.49 116.66 115.68 3h4x n ARG 100 Ca 0.13 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.96 3h4x n ARG 100 Cb 0.48 0.00 0.04 0.00 -1.02 0.00 0.00 32.46 31.96 3h4x n ARG 100 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3h4x n ASP 101 N 0.00 -5.48 -4.93 0.55 8.00 -0.21 -4.89 116.55 109.59 3h4x n ASP 101 Ca 0.00 -0.49 -0.25 0.00 0.71 0.00 0.00 54.79 54.76 3h4x n ASP 101 Cb 0.00 -4.39 0.03 0.00 -0.02 0.00 0.00 41.12 36.74 3h4x n ASP 101 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3h4x s GLN 102 N -6.13 2.83 0.00 -1.24 -1.52 -0.97 -4.38 119.66 108.24 3h4x s GLN 102 Ca 0.48 -0.24 0.00 0.00 -1.95 0.00 0.00 55.36 53.65 3h4x s GLN 102 Cb -0.23 -2.35 0.00 0.00 -0.22 0.00 0.00 33.01 30.21 3h4x s GLN 102 CO 0.59 -0.66 0.00 -0.40 -0.25 0.00 0.00 175.29 174.57 3h4x n ASP 103 N -2.47 0.00 -0.22 5.90 5.68 -1.26 -4.56 116.55 119.61 3h4x n ASP 103 Ca 0.04 -0.78 -0.07 0.00 -0.50 0.00 0.00 54.79 53.49 3h4x n ASP 103 Cb 0.58 0.00 0.04 0.00 -1.14 0.00 0.00 41.12 40.60 3h4x n ASP 103 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 3h4x h PHE 104 N -0.50 0.90 -0.86 2.11 3.57 -1.62 -0.70 116.94 119.83 3h4x h PHE 104 Ca 0.00 -0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.53 3h4x h PHE 104 Cb 0.00 -0.28 -0.06 0.00 2.79 0.00 0.00 35.95 38.40 3h4x h PHE 104 CO 0.00 0.68 0.56 0.00 -2.23 0.00 0.00 178.31 177.32 3h4x h ALA 105 N 1.14 1.59 -0.54 2.41 0.00 -1.94 -0.15 119.26 121.77 3h4x h ALA 105 Ca 0.22 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 3h4x h ALA 105 Cb 0.11 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3h4x h ALA 105 CO -0.03 0.26 0.01 0.78 0.00 0.00 0.00 179.25 180.28 3h4x h GLY 106 N 0.92 1.01 0.93 0.00 0.00 -1.57 -1.01 103.07 103.35 3h4x h GLY 106 Ca 0.38 -0.73 0.01 0.00 0.00 0.00 0.00 47.33 46.98 3h4x h GLY 106 CO -0.14 0.68 0.14 0.00 0.00 0.00 0.00 176.54 177.21 3h4x h LEU 108 N 0.29 0.81 -0.52 0.00 3.38 -0.91 -0.53 115.31 117.83 3h4x h LEU 108 Ca 0.10 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3h4x h LEU 108 Cb 0.01 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3h4x h LEU 108 CO -0.05 0.65 0.25 0.28 0.09 0.00 0.00 178.44 179.66 3h4x h SER 109 N 0.92 0.68 -0.64 -0.43 0.02 -0.83 -0.35 113.55 112.92 3h4x h SER 109 Ca 0.23 -0.13 0.02 0.00 -0.84 0.00 0.00 61.79 61.07 3h4x h SER 109 Cb 0.02 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.35 3h4x h SER 109 CO -0.04 0.62 0.41 0.44 -1.14 0.00 0.00 176.83 177.12 3h4x h ASP 110 N 0.70 0.69 -0.47 3.07 5.19 -0.44 -0.60 116.42 124.55 3h4x h ASP 110 Ca 0.18 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.58 3h4x h ASP 110 Cb 0.12 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 39.45 3h4x h ASP 110 CO -0.02 0.49 0.31 0.24 -3.12 0.00 0.00 179.24 177.14 3h4x h MET 111 N 0.82 0.63 -0.39 3.56 2.86 -0.79 -0.28 114.93 121.34 3h4x h MET 111 Ca 0.25 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.82 3h4x h MET 111 Cb -0.04 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.46 3h4x h MET 111 CO -0.08 0.42 0.16 -0.09 1.06 0.00 0.00 176.91 178.38 3h4x h ARG 112 N 0.64 0.58 -0.36 1.72 9.65 -0.72 0.12 114.38 126.02 3h4x h ARG 112 Ca 0.17 -0.10 0.00 0.00 -1.10 0.00 0.00 59.98 58.95 3h4x h ARG 112 Cb -0.07 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 28.40 3h4x h ARG 112 CO -0.04 0.55 0.23 0.00 2.80 0.00 0.00 179.97 183.52 3h4x h ALA 113 N 1.00 0.45 -0.45 2.80 0.00 -0.89 -0.78 119.26 121.38 3h4x h ALA 113 Ca 0.13 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3h4x h ALA 113 Cb 0.19 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3h4x h ALA 113 CO -0.01 -0.08 0.07 2.35 0.00 0.00 0.00 179.25 181.58 3h4x h TRP 114 N 0.48 0.80 -0.25 0.00 7.01 -0.92 -2.68 115.95 120.39 3h4x h TRP 114 Ca 0.13 -0.11 0.04 0.00 2.11 0.00 0.00 58.89 61.06 3h4x h TRP 114 Cb -0.05 -0.22 -0.04 0.00 -2.10 0.00 0.00 29.16 26.75 3h4x h TRP 114 CO -0.05 0.76 -0.01 1.25 -2.79 0.00 0.00 178.44 177.59 3h4x h HIS 115 N 0.62 -0.04 0.00 2.65 2.76 -0.45 -1.64 115.15 119.06 3h4x h HIS 115 Ca 0.14 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.31 3h4x h HIS 115 Cb 0.39 0.05 -0.00 0.00 1.55 0.00 0.00 27.41 29.40 3h4x h HIS 115 CO 0.03 -0.05 -0.08 -0.44 -1.30 0.00 0.00 177.93 176.08 3h4x h ASP 116 N 0.06 0.00 0.90 3.26 3.32 -1.02 -1.90 116.42 121.03 3h4x h ASP 116 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3h4x h ASP 116 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 3h4x h ASP 116 CO -0.21 0.08 -0.32 0.00 -1.72 0.00 0.00 179.24 177.07 3h4x n ALA 117 N -2.44 2.84 -3.21 3.45 0.00 -0.73 -4.36 120.51 116.06 3h4x n ALA 117 Ca -0.03 -0.20 -0.24 0.00 0.00 0.00 0.00 53.44 52.97 3h4x n ALA 117 Cb 0.17 -1.28 -0.06 0.00 0.00 0.00 0.00 19.45 18.27 3h4x n ALA 117 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3h4x n HIS 118 N -1.80 1.91 -1.68 0.00 8.25 -0.69 -5.09 115.22 116.11 3h4x n HIS 118 Ca 0.05 -3.89 -0.44 0.00 -0.26 0.00 0.00 57.72 53.19 3h4x n HIS 118 Cb 0.38 -0.46 -0.02 0.00 1.12 0.00 0.00 29.99 31.01 3h4x n HIS 118 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 3h4x n PRO 119 N 0.68 2.06 -1.12 -0.41 -0.04 -1.24 -1.89 135.00 133.04 3h4x n PRO 119 Ca 0.27 0.73 -0.04 0.00 -0.04 0.00 0.00 63.50 64.42 3h4x n PRO 119 Cb 0.49 -2.36 -0.02 0.00 -0.04 0.00 0.00 33.50 31.57 3h4x n PRO 119 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3h4x n GLY 120 N 1.73 0.70 3.68 0.55 0.00 -1.26 -4.96 105.19 105.63 3h4x n GLY 120 Ca 0.09 -0.80 -0.31 0.00 0.00 0.00 0.00 46.02 45.00 3h4x n GLY 120 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3h4x s HIS 121 N -2.14 1.67 0.54 1.61 -3.43 -0.79 -4.23 115.29 108.51 3h4x s HIS 121 Ca 0.00 1.77 -0.21 0.00 -0.80 0.00 0.00 55.06 55.82 3h4x s HIS 121 Cb 0.00 -3.37 -0.07 0.00 -1.43 0.00 0.00 32.58 27.71 3h4x s HIS 121 CO 0.00 -2.81 1.04 2.89 -2.00 0.00 0.00 174.74 173.87 3h4x n ARG 122 N -4.04 1.19 -2.02 -0.38 1.85 -1.26 0.42 116.66 112.42 3h4x n ARG 122 Ca 0.12 0.44 -0.41 0.00 -1.00 0.00 0.00 57.85 57.01 3h4x n ARG 122 Cb 0.52 -2.20 -0.02 0.00 -1.05 0.00 0.00 32.46 29.71 3h4x n ARG 122 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 3h4x s PRO 123 N -2.53 4.28 -0.08 2.89 0.04 -1.25 -4.54 135.00 133.80 3h4x s PRO 123 Ca 0.71 2.32 0.03 0.00 0.04 0.00 0.00 61.00 64.09 3h4x s PRO 123 Cb -0.46 -3.05 0.01 0.00 0.04 0.00 0.00 34.50 31.05 3h4x s PRO 123 CO 0.51 -0.30 -0.15 0.42 0.04 0.00 0.00 177.00 177.52 3h4x s ILE 124 N -1.05 1.39 -0.26 0.56 1.01 -0.88 -4.83 121.20 117.14 3h4x s ILE 124 Ca 0.51 -0.62 -0.15 0.00 0.00 0.00 0.00 60.65 60.39 3h4x s ILE 124 Cb -0.42 -1.25 -0.04 0.00 0.01 0.00 0.00 42.46 40.77 3h4x s ILE 124 CO 0.55 0.41 0.36 -0.22 0.00 0.00 0.00 174.94 176.04 3h4x s LEU 125 N 0.64 4.06 -0.42 2.97 2.96 -0.17 -1.11 118.68 127.61 3h4x s LEU 125 Ca -0.14 0.31 -0.19 0.00 -0.22 0.00 0.00 54.13 53.88 3h4x s LEU 125 Cb -0.16 -2.41 0.02 0.00 0.50 0.00 0.00 46.19 44.14 3h4x s LEU 125 CO 0.04 -0.14 0.57 -0.76 -1.32 0.00 0.00 176.35 174.74 3h4x s LEU 126 N 1.86 4.57 -0.24 -0.68 2.01 0.56 -1.07 118.68 125.70 3h4x s LEU 126 Ca 0.15 -0.37 -0.20 0.00 0.01 0.00 0.00 54.13 53.72 3h4x s LEU 126 Cb -0.15 -2.62 -0.02 0.00 0.01 0.00 0.00 46.19 43.41 3h4x s LEU 126 CO 0.09 -0.68 0.60 -0.75 1.01 0.00 0.00 176.35 176.63 3h4x s LYS 127 N 2.57 4.13 -0.25 1.70 2.20 -0.24 -1.22 119.74 128.64 3h4x s LYS 127 Ca 0.19 0.52 -0.05 0.00 -0.36 0.00 0.00 55.97 56.27 3h4x s LYS 127 Cb -0.15 -3.63 0.00 0.00 -1.51 0.00 0.00 37.83 32.54 3h4x s LYS 127 CO 0.17 -0.34 0.00 0.42 -0.36 0.00 0.00 175.35 175.23 3h4x s ILE 128 N 2.27 3.54 -0.30 5.43 -1.09 0.11 -0.19 121.20 130.97 3h4x s ILE 128 Ca 0.26 -0.63 -0.18 0.00 -2.23 0.00 0.00 60.65 57.87 3h4x s ILE 128 Cb -0.16 -2.72 -0.02 0.00 -1.58 0.00 0.00 42.46 37.99 3h4x s ILE 128 CO 0.09 0.27 0.52 -0.70 -1.23 0.00 0.00 174.94 173.88 3h4x s GLU 129 N 1.47 3.88 -1.00 2.79 2.12 -0.14 -1.26 118.70 126.56 3h4x s GLU 129 Ca 0.04 0.11 -0.21 0.00 0.36 0.00 0.00 54.97 55.27 3h4x s GLU 129 Cb -0.16 -3.72 0.08 0.00 0.26 0.00 0.00 34.13 30.59 3h4x s GLU 129 CO -0.01 -0.48 1.34 -1.64 -0.54 0.00 0.00 175.26 173.93 3h4x s MET 130 N 2.36 3.61 0.25 4.30 -1.94 -0.74 -1.34 119.30 125.81 3h4x s MET 130 Ca 0.20 -1.39 -0.05 0.00 -1.71 0.00 0.00 55.69 52.74 3h4x s MET 130 Cb -0.15 -5.20 0.47 0.00 2.01 0.00 0.00 34.83 31.96 3h4x s MET 130 CO 0.11 -2.05 1.66 0.87 -0.01 0.00 0.00 175.02 175.60 3h4x h LYS 131 N 9.37 0.18 -0.13 2.03 1.79 -1.18 -1.00 116.57 127.62 3h4x h LYS 131 Ca 0.19 -0.01 -0.04 0.00 -2.18 0.00 0.00 60.65 58.61 3h4x h LYS 131 Cb 1.01 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.60 3h4x h LYS 131 CO 1.31 0.12 -0.15 -0.40 -1.08 0.00 0.00 179.45 179.25 3h4x n ASP 132 N -5.25 2.50 -0.26 0.86 5.68 -1.26 -1.50 116.55 117.32 3h4x n ASP 132 Ca 0.15 -3.45 0.00 0.00 -0.50 0.00 0.00 54.79 50.99 3h4x n ASP 132 Cb 0.49 -0.52 0.00 0.00 -1.14 0.00 0.00 41.12 39.95 3h4x n ASP 132 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3h4x n GLY 133 N -1.11 -0.96 3.95 6.12 0.00 -0.48 -4.73 105.19 107.98 3h4x n GLY 133 Ca 0.22 -1.15 -0.24 0.00 0.00 0.00 0.00 46.02 44.84 3h4x n GLY 133 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h4x s PHE 134 N 0.00 2.68 -0.39 1.61 0.08 -1.26 -4.12 117.98 116.57 3h4x s PHE 134 Ca 0.00 0.23 0.09 0.00 0.12 0.00 0.00 56.93 57.36 3h4x s PHE 134 Cb 0.00 -3.10 0.28 0.00 -0.57 0.00 0.00 43.02 39.63 3h4x s PHE 134 CO 0.00 -1.36 0.62 -1.71 -0.10 0.00 0.00 175.22 172.67 3h4x n ASN 135 N -2.80 0.11 -0.31 1.36 5.15 0.14 -4.84 115.26 114.08 3h4x n ASN 135 Ca 0.09 -2.85 0.01 0.00 -0.60 0.00 0.00 54.58 51.24 3h4x n ASN 135 Cb 0.60 -0.42 0.15 0.00 -0.53 0.00 0.00 39.78 39.58 3h4x n ASN 135 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3h4x h ALA 136 N 3.69 1.18 0.00 5.20 0.00 -1.92 0.92 119.26 128.32 3h4x h ALA 136 Ca 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3h4x h ALA 136 Cb 0.92 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 3h4x h ALA 136 CO 0.45 0.24 -0.07 0.87 0.00 0.00 0.00 179.25 180.74 3h4x h LYS 137 N 0.93 0.00 -0.65 0.00 1.79 -1.93 -1.70 116.57 115.01 3h4x h LYS 137 Ca 0.38 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.85 3h4x h LYS 137 Cb 0.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.86 3h4x h LYS 137 CO -0.19 0.07 0.00 0.41 -1.08 0.00 0.00 179.45 178.66 3h4x n GLY 138 N -1.27 2.57 2.02 3.86 0.00 -0.58 -4.92 105.19 106.86 3h4x n GLY 138 Ca -0.03 -0.80 -0.01 0.00 0.00 0.00 0.00 46.02 45.19 3h4x n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h4x n GLY 139 N 1.03 0.43 2.53 -0.02 0.00 -0.64 -4.96 105.19 103.57 3h4x n GLY 139 Ca 0.24 -1.03 -0.20 0.00 0.00 0.00 0.00 46.02 45.03 3h4x n GLY 139 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h4x n ARG 140 N -2.98 2.01 -1.89 1.61 1.74 0.21 -4.80 116.66 112.56 3h4x n ARG 140 Ca -0.01 -3.96 -0.08 0.00 -0.77 0.00 0.00 57.85 53.04 3h4x n ARG 140 Cb 0.02 -1.86 0.02 0.00 -1.02 0.00 0.00 32.46 29.61 3h4x n ARG 140 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3h4x n GLY 141 N -0.03 2.16 0.32 -0.13 0.00 -1.23 -0.69 105.19 105.59 3h4x n GLY 141 Ca 0.26 -2.18 0.08 0.00 0.00 0.00 0.00 46.02 44.18 3h4x n GLY 141 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3h4x h PRO 142 N 0.00 0.63 -0.59 1.61 0.11 -1.96 -0.80 132.00 131.01 3h4x h PRO 142 Ca -0.11 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.88 3h4x h PRO 142 Cb 0.48 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.42 3h4x h PRO 142 CO 0.16 0.42 0.03 0.00 -0.21 0.00 0.00 178.00 178.41 3h4x h ALA 143 N 1.57 0.78 -0.09 -0.75 0.00 -1.99 -1.00 119.26 117.79 3h4x h ALA 143 Ca 0.48 -0.29 -0.16 0.00 0.00 0.00 0.00 54.91 54.95 3h4x h ALA 143 Cb 0.69 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3h4x h ALA 143 CO -0.37 0.59 -0.63 0.93 0.00 0.00 0.00 179.25 179.78 3h4x h GLU 144 N 0.90 0.35 0.17 0.00 3.07 -1.72 -1.39 114.58 115.95 3h4x h GLU 144 Ca 0.17 -0.24 -0.00 0.00 -0.50 0.00 0.00 59.36 58.78 3h4x h GLU 144 Cb 0.51 0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 28.45 3h4x h GLU 144 CO 0.02 0.86 -0.11 0.35 -1.40 0.00 0.00 179.01 178.73 3h4x h PHE 145 N 0.25 -0.28 -0.55 4.33 3.57 -0.96 -1.64 116.94 121.67 3h4x h PHE 145 Ca -0.01 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.53 3h4x h PHE 145 Cb 1.16 0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.96 3h4x h PHE 145 CO 0.03 -0.17 0.30 -0.44 -2.23 0.00 0.00 178.31 175.80 3h4x h ASP 146 N -0.27 0.45 -0.94 0.41 3.32 -1.10 -2.33 116.42 115.96 3h4x h ASP 146 Ca -0.01 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 3h4x h ASP 146 Cb 0.23 -0.07 -0.05 0.00 0.22 0.00 0.00 39.33 39.67 3h4x h ASP 146 CO 0.01 0.31 0.56 0.00 -1.72 0.00 0.00 179.24 178.40 3h4x h ALA 147 N 1.28 1.20 -0.29 3.45 0.00 -1.04 0.21 119.26 124.06 3h4x h ALA 147 Ca 0.24 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3h4x h ALA 147 Cb 0.11 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3h4x h ALA 147 CO -0.14 0.66 0.01 1.25 0.00 0.00 0.00 179.25 181.03 3h4x h LEU 148 N 1.30 0.50 -0.63 0.00 5.85 -1.05 -1.18 115.31 120.10 3h4x h LEU 148 Ca 0.34 -0.30 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 3h4x h LEU 148 Cb -0.05 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 3h4x h LEU 148 CO -0.06 0.67 0.20 0.40 -0.34 0.00 0.00 178.44 179.31 3h4x h ILE 149 N 0.31 1.25 -0.60 4.05 2.04 -1.06 -1.17 117.51 122.33 3h4x h ILE 149 Ca 0.08 -0.84 0.03 0.00 1.00 0.00 0.00 64.86 65.13 3h4x h ILE 149 Cb 0.41 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 3h4x h ILE 149 CO 0.01 0.32 0.37 0.03 0.00 0.00 0.00 178.15 178.88 3h4x h ARG 150 N 0.90 0.71 -0.55 2.37 3.08 -0.87 0.41 114.38 120.43 3h4x h ARG 150 Ca 0.20 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.19 3h4x h ARG 150 Cb 0.29 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 3h4x h ARG 150 CO -0.01 0.47 0.26 0.37 -1.07 0.00 0.00 179.97 180.00 3h4x h GLN 151 N 0.73 0.80 0.21 0.04 -0.00 -0.83 -0.64 115.11 115.42 3h4x h GLN 151 Ca 0.24 -0.12 -0.32 0.00 -0.00 0.00 0.00 58.65 58.45 3h4x h GLN 151 Cb 0.01 -0.14 0.03 0.00 0.00 0.00 0.00 27.48 27.38 3h4x h GLN 151 CO -0.10 0.66 -1.44 0.87 0.00 0.00 0.00 178.83 178.82 3h4x h LYS 152 N 0.75 0.45 0.00 1.69 1.79 -0.97 -3.41 116.57 116.87 3h4x h LYS 152 Ca 0.19 -0.77 -0.01 0.00 -2.18 0.00 0.00 60.65 57.87 3h4x h LYS 152 Cb 0.12 0.29 -0.00 0.00 -1.58 0.00 0.00 32.23 31.06 3h4x h LYS 152 CO -0.02 1.37 -1.15 1.28 -1.08 0.00 0.00 179.45 179.85 3h4x n LEU 153 N -3.65 0.00 0.00 2.94 4.77 0.11 -4.77 117.00 116.40 3h4x n LEU 153 Ca -0.15 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 3h4x n LEU 153 Cb 1.08 0.02 0.00 0.00 -2.33 0.00 0.00 43.42 42.19 3h4x n LEU 153 CO 0.58 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 3h4x n GLY 154 N 2.48 2.80 0.00 -0.72 0.00 -0.25 -1.47 105.19 108.02 3h4x n GLY 154 Ca -0.02 0.25 0.07 0.00 0.00 0.00 0.00 46.02 46.32 3h4x n GLY 154 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3h4x n ASP 155 N 3.92 0.00 0.00 1.61 5.75 -1.26 -2.60 116.55 123.97 3h4x n ASP 155 Ca 0.00 0.19 0.12 0.00 -0.01 0.00 0.00 54.79 55.09 3h4x n ASP 155 Cb 0.00 -0.34 0.54 0.00 -1.03 0.00 0.00 41.12 40.29 3h4x n ASP 155 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3h4x n ALA 156 N -1.34 2.17 -2.58 2.12 0.00 -0.54 -4.80 120.51 115.54 3h4x n ALA 156 Ca 0.06 -0.08 -0.38 0.00 0.00 0.00 0.00 53.44 53.03 3h4x n ALA 156 Cb 0.12 -1.42 -0.06 0.00 0.00 0.00 0.00 19.45 18.10 3h4x n ALA 156 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3h4x s VAL 157 N -3.01 5.07 -0.34 0.00 1.01 -1.07 -0.36 120.40 121.70 3h4x s VAL 157 Ca 0.12 0.94 -0.08 0.00 0.00 0.00 0.00 61.98 62.96 3h4x s VAL 157 Cb 0.17 -3.79 0.02 0.00 0.00 0.00 0.00 36.38 32.78 3h4x s VAL 157 CO 0.47 0.45 0.14 -0.47 0.00 0.00 0.00 175.10 175.69 3h4x s TYR 158 N -0.24 3.22 0.39 5.22 5.04 -0.24 -4.91 117.35 125.83 3h4x s TYR 158 Ca 0.25 -1.10 0.00 0.00 -2.44 0.00 0.00 57.07 53.79 3h4x s TYR 158 Cb -0.16 -2.33 -0.00 0.00 0.35 0.00 0.00 41.96 39.82 3h4x s TYR 158 CO 0.12 -0.64 0.00 0.41 -1.34 0.00 0.00 175.55 174.10 3h4x n GLY 159 N 4.90 3.70 0.36 8.97 0.00 -1.26 -4.56 105.19 117.31 3h4x n GLY 159 Ca -0.13 -2.33 0.11 0.00 0.00 0.00 0.00 46.02 43.67 3h4x n GLY 159 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3h4x h PRO 160 N 0.00 0.62 -0.70 1.61 0.11 -1.81 -0.65 132.00 131.18 3h4x h PRO 160 Ca -0.32 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.71 3h4x h PRO 160 Cb 0.98 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 31.92 3h4x h PRO 160 CO 0.54 0.41 0.29 0.78 -0.21 0.00 0.00 178.00 179.80 3h4x h GLY 161 N 0.64 1.10 0.79 -0.55 0.00 -1.83 -0.00 103.07 103.22 3h4x h GLY 161 Ca 0.37 -0.57 -0.04 0.00 0.00 0.00 0.00 47.33 47.09 3h4x h GLY 161 CO -0.14 0.54 -0.03 -0.55 0.00 0.00 0.00 176.54 176.37 3h4x h ASP 162 N 1.01 0.33 -0.58 0.19 3.32 -1.47 -2.28 116.42 116.94 3h4x h ASP 162 Ca 0.24 -0.34 -0.07 0.00 0.02 0.00 0.00 57.03 56.88 3h4x h ASP 162 Cb 0.18 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 3h4x h ASP 162 CO -0.02 0.60 0.11 0.25 -1.72 0.00 0.00 179.24 178.45 3h4x h LEU 163 N 0.06 0.91 -0.46 1.55 5.85 -1.26 -3.25 115.31 118.71 3h4x h LEU 163 Ca 0.05 -0.25 -0.17 0.00 0.84 0.00 0.00 57.88 58.34 3h4x h LEU 163 Cb 0.44 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 3h4x h LEU 163 CO 0.01 0.93 -0.69 0.74 -0.34 0.00 0.00 178.44 179.10 3h4x h THR 164 N 0.85 1.38 0.00 1.05 2.02 -0.97 -3.45 112.91 113.79 3h4x h THR 164 Ca 0.18 -2.08 0.00 0.00 0.77 0.00 0.00 66.41 65.27 3h4x h THR 164 Cb 0.40 2.06 0.00 0.00 -1.74 0.00 0.00 68.15 68.87 3h4x h THR 164 CO 0.01 0.63 0.00 0.61 0.37 0.00 0.00 175.52 177.13 3h4x n GLY 165 N 0.48 3.39 0.55 2.16 0.00 -0.86 -1.38 105.19 109.52 3h4x n GLY 165 Ca -0.04 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.08 3h4x n GLY 165 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h4x n GLY 166 N 0.00 0.22 3.76 -0.02 0.00 -1.26 -4.94 105.19 102.95 3h4x n GLY 166 Ca 0.00 -0.45 -0.31 0.00 0.00 0.00 0.00 46.02 45.26 3h4x n GLY 166 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3h4x s HIS 167 N -1.88 2.53 0.21 1.61 4.02 -0.48 -4.96 115.29 116.33 3h4x s HIS 167 Ca 0.35 1.47 -0.01 0.00 1.02 0.00 0.00 55.06 57.89 3h4x s HIS 167 Cb 0.19 -3.07 0.16 0.00 -1.02 0.00 0.00 32.58 28.84 3h4x s HIS 167 CO 0.30 -1.94 1.52 0.00 1.02 0.00 0.00 174.74 175.65 3h4x h ALA 168 N -1.23 0.75 -2.53 -1.40 0.00 -1.92 -3.47 119.26 109.46 3h4x h ALA 168 Ca -0.45 -0.52 -0.11 0.00 0.00 0.00 0.00 54.91 53.83 3h4x h ALA 168 Cb 1.24 -0.08 -0.14 0.00 0.00 0.00 0.00 17.79 18.82 3h4x h ALA 168 CO 0.52 0.70 -0.41 0.95 0.00 0.00 0.00 179.25 181.00 3h4x s THR 169 N -3.93 0.11 0.24 0.00 -4.23 -1.26 -5.04 115.64 101.52 3h4x s THR 169 Ca -0.06 -1.43 -0.06 0.00 -1.18 0.00 0.00 61.69 58.96 3h4x s THR 169 Cb 0.11 -1.67 0.21 0.00 1.34 0.00 0.00 72.50 72.50 3h4x s THR 169 CO 0.83 -0.50 1.86 0.00 -0.54 0.00 0.00 174.62 176.27 3h4x h ALA 170 N 2.71 1.19 -0.39 3.99 0.00 -1.90 -1.95 119.26 122.91 3h4x h ALA 170 Ca -0.33 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 3h4x h ALA 170 Cb 1.21 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3h4x h ALA 170 CO 0.54 0.65 0.22 0.22 0.00 0.00 0.00 179.25 180.88 3h4x h ASP 171 N 1.23 0.48 -0.37 0.00 3.58 -1.47 0.10 116.42 119.97 3h4x h ASP 171 Ca 0.31 -0.08 0.02 0.00 0.42 0.00 0.00 57.03 57.70 3h4x h ASP 171 Cb 0.03 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 40.93 3h4x h ASP 171 CO -0.05 0.42 0.22 -0.08 -2.88 0.00 0.00 179.24 176.87 3h4x h GLU 172 N 0.51 0.44 -0.23 0.28 4.81 -1.77 -1.71 114.58 116.91 3h4x h GLU 172 Ca 0.14 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 3h4x h GLU 172 Cb 0.04 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 3h4x h GLU 172 CO -0.02 0.29 0.12 0.00 -0.73 0.00 0.00 179.01 178.67 3h4x h ALA 173 N 1.16 0.29 -0.33 2.92 0.00 -1.03 -2.50 119.26 119.78 3h4x h ALA 173 Ca 0.15 -0.07 -0.18 0.00 0.00 0.00 0.00 54.91 54.82 3h4x h ALA 173 Cb 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3h4x h ALA 173 CO -0.07 -0.17 -0.48 -0.24 0.00 0.00 0.00 179.25 178.29 3h4x h VAL 174 N 0.26 1.27 -0.72 0.00 3.04 -0.80 -1.16 116.25 118.13 3h4x h VAL 174 Ca 0.08 -1.66 -0.06 0.00 -1.01 0.00 0.00 66.70 64.05 3h4x h VAL 174 Cb 0.07 1.53 -0.03 0.00 -2.01 0.00 0.00 31.29 30.85 3h4x h VAL 174 CO -0.01 0.55 0.23 0.03 -1.01 0.00 0.00 177.57 177.36 3h4x h ARG 175 N 0.71 1.12 0.03 4.17 3.08 -1.33 0.38 114.38 122.55 3h4x h ARG 175 Ca 0.03 -0.24 -0.23 0.00 0.07 0.00 0.00 59.98 59.62 3h4x h ARG 175 Cb 1.09 -0.16 0.02 0.00 0.08 0.00 0.00 29.97 30.99 3h4x h ARG 175 CO 0.11 0.96 -0.90 0.00 -1.07 0.00 0.00 179.97 179.07 3h4x h ALA 176 N 1.11 0.06 0.00 0.04 0.00 -1.31 -3.41 119.26 115.75 3h4x h ALA 176 Ca 0.23 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3h4x h ALA 176 Cb 0.30 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3h4x h ALA 176 CO -0.01 0.54 0.00 0.41 0.00 0.00 0.00 179.25 180.19 3h4x n GLY 177 N 1.18 0.85 7.00 0.00 0.00 -0.45 -5.11 105.19 108.65 3h4x n GLY 177 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3h4x n GLY 177 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h4x n GLY 178 N 0.63 -0.47 3.96 -0.02 0.00 0.12 -4.89 105.19 104.52 3h4x n GLY 178 Ca 0.00 -1.06 -0.23 0.00 0.00 0.00 0.00 46.02 44.73 3h4x n GLY 178 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3h4x s TRP 179 N 0.00 3.47 0.90 1.61 0.52 -1.26 -4.71 118.94 119.46 3h4x s TRP 179 Ca 0.00 0.11 -0.10 0.00 0.02 0.00 0.00 56.10 56.12 3h4x s TRP 179 Cb 0.00 -1.68 0.13 0.00 -1.15 0.00 0.00 33.47 30.78 3h4x s TRP 179 CO 0.00 0.36 1.13 -2.14 0.02 0.00 0.00 176.95 176.32 3h4x s PRO 180 N -3.96 1.18 0.73 4.98 0.02 -1.26 -4.57 135.00 132.12 3h4x s PRO 180 Ca 0.36 1.42 -0.16 0.00 0.02 0.00 0.00 61.00 62.64 3h4x s PRO 180 Cb -0.09 -1.76 0.04 0.00 0.02 0.00 0.00 34.50 32.71 3h4x s PRO 180 CO 0.31 -2.48 1.24 -1.13 -0.33 0.00 0.00 177.00 174.61 3h4x n SER 181 N -4.12 1.50 -0.30 2.53 3.41 -1.26 -1.86 113.62 113.53 3h4x n SER 181 Ca 0.11 0.70 0.02 0.00 -0.26 0.00 0.00 58.87 59.44 3h4x n SER 181 Cb 0.52 -1.53 0.21 0.00 -0.26 0.00 0.00 64.21 63.16 3h4x n SER 181 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3h4x h ARG 182 N -0.22 1.07 -0.83 4.33 3.08 -1.49 -1.85 114.38 118.47 3h4x h ARG 182 Ca -0.48 -0.06 0.03 0.00 0.07 0.00 0.00 59.98 59.53 3h4x h ARG 182 Cb 1.32 -0.24 -0.05 0.00 0.08 0.00 0.00 29.97 31.08 3h4x h ARG 182 CO 0.49 0.71 0.53 0.00 -1.07 0.00 0.00 179.97 180.63 3h4x h ALA 183 N 1.48 1.09 0.00 0.04 0.00 -1.91 -2.00 119.26 117.97 3h4x h ALA 183 Ca 0.36 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 3h4x h ALA 183 Cb 0.04 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3h4x h ALA 183 CO -0.11 0.36 -0.17 -0.44 0.00 0.00 0.00 179.25 178.89 3h4x h ASP 184 N 1.03 0.00 -0.37 0.00 3.32 -1.70 -2.59 116.42 116.11 3h4x h ASP 184 Ca 0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.38 3h4x h ASP 184 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 3h4x h ASP 184 CO -0.12 0.17 0.00 0.18 -1.72 0.00 0.00 179.24 177.75 3h4x n LEU 185 N -3.51 2.05 -4.69 1.55 4.77 -0.76 -4.93 117.00 111.48 3h4x n LEU 185 Ca -0.01 -1.02 -0.43 0.00 -0.03 0.00 0.00 56.01 54.52 3h4x n LEU 185 Cb 0.32 -0.25 -0.02 0.00 -2.33 0.00 0.00 43.42 41.15 3h4x n LEU 185 CO 0.31 0.51 0.98 0.00 -1.33 0.00 0.00 177.39 177.86 3h4x n ALA 186 N 0.62 1.32 -1.17 -1.18 0.00 -0.98 -2.00 120.51 117.12 3h4x n ALA 186 Ca 0.13 0.38 -0.06 0.00 0.00 0.00 0.00 53.44 53.90 3h4x n ALA 186 Cb 0.33 -2.28 -0.02 0.00 0.00 0.00 0.00 19.45 17.47 3h4x n ALA 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h4x n GLY 187 N 1.49 0.82 3.51 0.00 0.00 0.17 -4.78 105.19 106.40 3h4x n GLY 187 Ca 0.08 -0.73 -0.30 0.00 0.00 0.00 0.00 46.02 45.07 3h4x n GLY 187 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h4x s LYS 188 N -2.40 1.96 0.00 1.61 -0.14 -0.85 -4.77 119.74 115.16 3h4x s LYS 188 Ca 0.00 -1.08 0.03 0.00 -1.36 0.00 0.00 55.97 53.56 3h4x s LYS 188 Cb 0.00 -2.19 -0.03 0.00 -1.68 0.00 0.00 37.83 33.92 3h4x s LYS 188 CO 0.00 0.51 -0.06 -0.06 -0.76 0.00 0.00 175.35 174.97 3h4x s PHE 189 N -1.11 2.90 0.20 3.18 0.08 0.52 -2.07 117.98 121.68 3h4x s PHE 189 Ca 0.18 -0.03 0.10 0.00 0.12 0.00 0.00 56.93 57.30 3h4x s PHE 189 Cb -0.11 -1.61 -0.04 0.00 -0.57 0.00 0.00 43.02 40.68 3h4x s PHE 189 CO 0.10 0.38 -0.19 -0.51 -0.10 0.00 0.00 175.22 174.90 3h4x s LEU 190 N -1.42 2.49 -0.03 -0.37 1.02 -0.27 -1.08 118.68 119.02 3h4x s LEU 190 Ca 0.17 -0.93 0.05 0.00 0.02 0.00 0.00 54.13 53.44 3h4x s LEU 190 Cb -0.11 -0.92 -0.01 0.00 0.02 0.00 0.00 46.19 45.17 3h4x s LEU 190 CO 0.08 -0.02 -0.17 -0.36 0.02 0.00 0.00 176.35 175.90 3h4x s PHE 191 N -2.26 1.66 -0.05 0.29 0.08 -1.26 -0.32 117.98 116.13 3h4x s PHE 191 Ca 0.21 -0.41 0.05 0.00 0.12 0.00 0.00 56.93 56.91 3h4x s PHE 191 Cb -0.05 -1.10 -0.02 0.00 -0.57 0.00 0.00 43.02 41.28 3h4x s PHE 191 CO 0.09 -0.10 -0.21 -2.00 -0.10 0.00 0.00 175.22 172.90 3h4x s GLU 192 N -0.16 2.51 -0.11 0.44 2.12 -0.35 -0.57 118.70 122.56 3h4x s GLU 192 Ca 0.01 -0.83 0.01 0.00 0.36 0.00 0.00 54.97 54.52 3h4x s GLU 192 Cb -0.09 -2.24 -0.02 0.00 0.26 0.00 0.00 34.13 32.04 3h4x s GLU 192 CO 0.01 0.48 -0.13 -0.51 -0.54 0.00 0.00 175.26 174.57 3h4x s LEU 193 N -0.40 2.73 0.15 2.70 1.43 -0.44 0.08 118.68 124.93 3h4x s LEU 193 Ca 0.04 -0.29 0.08 0.00 -1.03 0.00 0.00 54.13 52.93 3h4x s LEU 193 Cb -0.12 -1.60 -0.04 0.00 0.03 0.00 0.00 46.19 44.46 3h4x s LEU 193 CO 0.02 0.21 -0.18 0.27 0.23 0.00 0.00 176.35 176.90 3h4x s ILE 194 N 0.06 1.75 0.77 -0.59 -4.36 -0.39 -1.05 121.20 117.39 3h4x s ILE 194 Ca -0.05 -1.85 -0.12 0.00 -0.26 0.00 0.00 60.65 58.37 3h4x s ILE 194 Cb -0.15 -1.78 0.06 0.00 1.25 0.00 0.00 42.46 41.85 3h4x s ILE 194 CO 0.04 -0.30 1.13 -2.84 0.24 0.00 0.00 174.94 173.21 3h4x s PRO 195 N -2.68 2.10 0.36 0.37 0.02 -1.26 -1.79 135.00 132.13 3h4x s PRO 195 Ca 0.14 1.40 0.07 0.00 0.02 0.00 0.00 61.00 62.63 3h4x s PRO 195 Cb -0.06 -1.86 -0.02 0.00 0.02 0.00 0.00 34.50 32.58 3h4x s PRO 195 CO 0.06 -1.79 0.37 0.20 -0.33 0.00 0.00 177.00 175.51 3h4x s GLY 196 N -2.82 1.83 0.41 0.52 0.00 -0.61 -4.62 107.32 102.02 3h4x s GLY 196 Ca 0.66 -1.66 0.11 0.00 0.00 0.00 0.00 44.72 43.83 3h4x s GLY 196 CO 0.51 -1.55 1.94 -0.91 0.00 0.00 0.00 173.10 173.09 3h4x h THR 197 N 1.08 1.16 -0.13 0.90 1.35 -1.83 -2.26 112.91 113.18 3h4x h THR 197 Ca -0.44 -0.72 -0.22 0.00 -0.55 0.00 0.00 66.41 64.48 3h4x h THR 197 Cb 1.26 1.23 0.01 0.00 -1.73 0.00 0.00 68.15 68.92 3h4x h THR 197 CO 0.56 0.22 -0.77 0.58 -0.25 0.00 0.00 175.52 175.86 3h4x h VAL 198 N 0.17 1.29 0.00 6.82 2.07 -1.61 -3.06 116.25 121.92 3h4x h VAL 198 Ca 0.03 -1.98 -0.02 0.00 0.82 0.00 0.00 66.70 65.55 3h4x h VAL 198 Cb 0.35 2.06 -0.00 0.00 -1.52 0.00 0.00 31.29 32.17 3h4x h VAL 198 CO 0.02 0.62 -0.10 1.05 0.02 0.00 0.00 177.57 179.19 3h4x h GLU 199 N 0.46 0.00 0.00 1.57 4.11 -1.33 -1.66 114.58 117.74 3h4x h GLU 199 Ca -0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.37 3h4x h GLU 199 Cb 1.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.66 3h4x h GLU 199 CO 0.16 0.10 0.00 0.93 0.07 0.00 0.00 179.01 180.26 3h4x h GLU 200 N 0.00 0.00 -0.43 1.06 5.08 -1.31 -2.94 114.58 116.04 3h4x h GLU 200 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3h4x h GLU 200 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 3h4x h GLU 200 CO 0.01 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.65 3h4x n LYS 201 N -2.90 2.61 -2.53 2.33 5.02 -0.63 -4.96 118.16 117.10 3h4x n LYS 201 Ca -0.00 -2.17 -0.43 0.00 -2.02 0.00 0.00 58.31 53.69 3h4x n LYS 201 Cb 0.22 -1.37 -0.02 0.00 -0.02 0.00 0.00 35.03 33.84 3h4x n LYS 201 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3h4x s ASN 202 N -1.04 7.05 0.50 4.39 2.47 -1.11 -4.91 114.94 122.28 3h4x s ASN 202 Ca 0.31 1.62 0.28 0.00 0.42 0.00 0.00 52.86 55.49 3h4x s ASN 202 Cb 0.17 -2.55 1.20 0.00 -1.45 0.00 0.00 41.25 38.62 3h4x s ASN 202 CO 0.22 -0.65 1.94 1.55 -3.72 0.00 0.00 177.10 176.44 3h4x h PRO 203 N 7.67 0.00 -7.52 0.43 0.13 -1.93 -3.44 132.00 127.35 3h4x h PRO 203 Ca -0.27 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.40 3h4x h PRO 203 Cb 1.11 0.00 0.10 0.00 0.13 0.00 0.00 31.00 32.34 3h4x h PRO 203 CO 0.93 0.14 0.34 -0.06 -0.23 0.00 0.00 178.00 179.12 3h4x s PHE 204 N -3.78 2.72 -0.47 1.56 0.08 -1.26 -5.00 117.98 111.83 3h4x s PHE 204 Ca -0.00 0.55 0.03 0.00 0.12 0.00 0.00 56.93 57.64 3h4x s PHE 204 Cb 0.11 -3.45 0.57 0.00 -0.57 0.00 0.00 43.02 39.67 3h4x s PHE 204 CO 0.59 -1.76 1.82 -0.40 -0.10 0.00 0.00 175.22 175.38 3h4x n ASP 205 N -3.22 4.62 -4.73 1.36 5.75 -1.26 -4.99 116.55 114.08 3h4x n ASP 205 Ca 0.09 -3.70 -0.42 0.00 -0.01 0.00 0.00 54.79 50.74 3h4x n ASP 205 Cb 0.61 -0.81 -0.02 0.00 -1.03 0.00 0.00 41.12 39.87 3h4x n ASP 205 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 3h4x n LYS 206 N -1.06 2.52 -1.70 0.11 4.81 -1.26 -4.90 118.16 116.69 3h4x n LYS 206 Ca 0.55 0.90 -0.43 0.00 -0.87 0.00 0.00 58.31 58.46 3h4x n LYS 206 Cb 1.25 -2.64 -0.01 0.00 0.02 0.00 0.00 35.03 33.64 3h4x n LYS 206 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3h4x n LEU 207 N 2.12 3.54 -4.88 3.14 4.77 -1.26 -4.97 117.00 119.46 3h4x n LEU 207 Ca 0.09 1.19 -0.30 0.00 -0.03 0.00 0.00 56.01 56.96 3h4x n LEU 207 Cb 0.35 -1.48 0.02 0.00 -2.33 0.00 0.00 43.42 39.98 3h4x n LEU 207 CO 0.64 -0.42 0.71 0.26 -1.33 0.00 0.00 177.39 177.24 3h4x s TRP 208 N -0.76 3.50 0.31 -1.77 0.52 -1.26 -4.85 118.94 114.63 3h4x s TRP 208 Ca 0.59 1.15 0.07 0.00 0.02 0.00 0.00 56.10 57.93 3h4x s TRP 208 Cb -0.58 -2.82 0.85 0.00 -1.15 0.00 0.00 33.47 29.77 3h4x s TRP 208 CO 0.58 -0.85 1.67 1.15 0.02 0.00 0.00 176.95 179.52 3h4x h THR 209 N -0.40 0.35 0.27 2.01 2.02 -1.93 -0.73 112.91 114.50 3h4x h THR 209 Ca -0.45 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 66.62 3h4x h THR 209 Cb 1.22 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 3h4x h THR 209 CO 0.63 0.06 -0.13 -2.24 0.37 0.00 0.00 175.52 174.20 3h4x h ASP 210 N 0.30 -0.31 -0.70 4.18 2.03 -1.91 -0.35 116.42 119.66 3h4x h ASP 210 Ca 0.62 -0.19 -0.05 0.00 -0.73 0.00 0.00 57.03 56.68 3h4x h ASP 210 Cb 1.29 0.08 -0.03 0.00 -0.83 0.00 0.00 39.33 39.84 3h4x h ASP 210 CO -0.61 0.05 0.26 0.58 -1.03 0.00 0.00 179.24 178.49 3h4x h VAL 211 N -0.69 1.25 -0.17 4.15 2.07 -1.89 -0.72 116.25 120.26 3h4x h VAL 211 Ca -0.04 -0.83 -0.02 0.00 0.82 0.00 0.00 66.70 66.64 3h4x h VAL 211 Cb 0.48 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 3h4x h VAL 211 CO 0.06 0.33 0.03 -0.08 0.02 0.00 0.00 177.57 177.93 3h4x h GLU 212 N 1.06 0.28 -0.09 1.57 4.81 -1.08 -0.54 114.58 120.59 3h4x h GLU 212 Ca 0.24 -0.07 -0.23 0.00 -0.13 0.00 0.00 59.36 59.16 3h4x h GLU 212 Cb 0.24 -0.03 0.01 0.00 0.63 0.00 0.00 28.75 29.60 3h4x h GLU 212 CO -0.01 0.44 -0.86 -0.92 -0.73 0.00 0.00 179.01 176.93 3h4x h TYR 213 N 0.08 0.98 -0.93 0.92 3.20 -0.97 -1.97 116.97 118.27 3h4x h TYR 213 Ca 0.05 -0.47 -0.01 0.00 3.14 0.00 0.00 58.73 61.45 3h4x h TYR 213 Cb 0.29 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.38 3h4x h TYR 213 CO 0.02 1.29 0.53 0.00 -1.64 0.00 0.00 178.16 178.36 3h4x h ALA 214 N 0.57 1.18 -0.66 1.82 0.00 -1.15 -0.97 119.26 120.06 3h4x h ALA 214 Ca -0.07 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 3h4x h ALA 214 Cb 1.49 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 3h4x h ALA 214 CO 0.17 0.67 0.29 0.78 0.00 0.00 0.00 179.25 181.16 3h4x h GLY 215 N 1.29 1.01 1.00 0.00 0.00 -1.02 -1.04 103.07 104.30 3h4x h GLY 215 Ca 0.33 -0.50 0.00 0.00 0.00 0.00 0.00 47.33 47.16 3h4x h GLY 215 CO -0.06 0.47 0.29 0.84 0.00 0.00 0.00 176.54 178.08 3h4x h HIS 216 N 0.93 0.58 -0.48 5.60 6.17 -0.59 -0.33 115.15 127.04 3h4x h HIS 216 Ca 0.23 0.01 -0.02 0.00 0.71 0.00 0.00 60.37 61.29 3h4x h HIS 216 Cb 0.13 -0.19 -0.02 0.00 2.52 0.00 0.00 27.41 29.85 3h4x h HIS 216 CO 0.01 0.39 0.21 -0.07 0.71 0.00 0.00 177.93 179.18 3h4x h LEU 217 N 0.61 0.64 -0.56 0.26 3.38 -0.74 0.22 115.31 119.11 3h4x h LEU 217 Ca 0.16 -0.15 0.06 0.00 0.09 0.00 0.00 57.88 58.05 3h4x h LEU 217 Cb -0.04 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.50 3h4x h LEU 217 CO -0.03 0.61 0.27 0.50 0.09 0.00 0.00 178.44 179.88 3h4x h LYS 218 N 0.62 0.50 -0.39 1.13 3.64 -0.96 0.01 116.57 121.13 3h4x h LYS 218 Ca 0.16 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.41 3h4x h LYS 218 Cb 0.15 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 3h4x h LYS 218 CO -0.02 0.33 -0.14 -0.44 -2.27 0.00 0.00 179.45 176.92 3h4x h ASP 219 N 0.52 0.80 -0.42 4.20 3.32 -0.74 -1.81 116.42 122.29 3h4x h ASP 219 Ca 0.26 -0.38 0.03 0.00 0.02 0.00 0.00 57.03 56.95 3h4x h ASP 219 Cb 0.20 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 3h4x h ASP 219 CO -0.19 1.00 0.23 -0.07 -1.72 0.00 0.00 179.24 178.49 3h4x h LEU 220 N 0.58 0.35 -0.76 1.55 3.38 -0.66 -2.30 115.31 117.45 3h4x h LEU 220 Ca 0.09 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3h4x h LEU 220 Cb 0.68 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 3h4x h LEU 220 CO 0.05 0.25 0.49 0.00 0.09 0.00 0.00 178.44 179.32 3h4x h ALA 221 N 1.20 0.97 0.00 1.53 0.00 -0.82 0.27 119.26 122.40 3h4x h ALA 221 Ca 0.17 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3h4x h ALA 221 Cb 0.05 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 3h4x h ALA 221 CO -0.10 0.40 -0.10 0.00 0.00 0.00 0.00 179.25 179.45 3h4x h ALA 222 N 1.27 1.59 -0.13 0.00 0.00 -1.04 -1.76 119.26 119.18 3h4x h ALA 222 Ca 0.28 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3h4x h ALA 222 Cb -0.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3h4x h ALA 222 CO -0.06 0.13 0.00 1.04 0.00 0.00 0.00 179.25 180.36 3h4x n GLN 223 N -4.07 2.14 -1.74 0.00 6.02 -0.52 -4.94 117.38 114.27 3h4x n GLN 223 Ca -0.02 -1.68 -0.09 0.00 -0.01 0.00 0.00 57.00 55.19 3h4x n GLN 223 Cb 0.19 -1.47 -0.02 0.00 1.02 0.00 0.00 30.24 29.96 3h4x n GLN 223 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3h4x n GLY 224 N 1.32 0.51 0.44 1.08 0.00 -0.55 -4.94 105.19 103.05 3h4x n GLY 224 Ca 0.17 -0.56 0.07 0.00 0.00 0.00 0.00 46.02 45.69 3h4x n GLY 224 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3h4x n LYS 225 N -2.28 1.61 0.28 1.61 5.02 0.82 -4.73 118.16 120.50 3h4x n LYS 225 Ca -0.10 -2.91 0.13 0.00 -2.02 0.00 0.00 58.31 53.42 3h4x n LYS 225 Cb 0.45 -1.61 0.83 0.00 -0.02 0.00 0.00 35.03 34.68 3h4x n LYS 225 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3h4x h LEU 226 N 0.62 0.00 -2.42 -0.35 5.85 -1.87 -2.64 115.31 114.49 3h4x h LEU 226 Ca 0.02 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.76 3h4x h LEU 226 Cb 1.12 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.14 3h4x h LEU 226 CO 0.06 0.03 0.07 0.00 -0.34 0.00 0.00 178.44 178.27 3h4x h ALA 227 N 1.97 1.57 -0.01 1.25 0.00 -1.90 -1.68 119.26 120.46 3h4x h ALA 227 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3h4x h ALA 227 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3h4x h ALA 227 CO 0.00 -0.10 -0.13 0.00 0.00 0.00 0.00 179.25 179.03 3h4x n GLN 228 N -3.76 0.94 -1.77 0.00 10.64 -0.99 -4.82 117.38 117.61 3h4x n GLN 228 Ca -0.02 -0.44 -0.32 0.00 -1.83 0.00 0.00 57.00 54.39 3h4x n GLN 228 Cb 0.16 -1.49 0.04 0.00 -0.86 0.00 0.00 30.24 28.09 3h4x n GLN 228 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.06 173.69 3h4x s SER 229 N -2.37 5.37 0.00 2.61 1.04 -0.63 -4.80 113.70 114.91 3h4x s SER 229 Ca 0.30 1.82 0.00 0.00 0.48 0.00 0.00 55.95 58.55 3h4x s SER 229 Cb 0.20 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.79 3h4x s SER 229 CO 0.46 -1.45 0.00 0.35 0.98 0.00 0.00 173.24 173.57 3h4x n THR 230 N -2.56 0.00 -4.03 2.02 -2.24 -1.26 -4.54 114.28 101.67 3h4x n THR 230 Ca 0.09 -0.22 -0.08 0.00 -2.27 0.00 0.00 64.05 61.56 3h4x n THR 230 Cb 0.53 0.96 -0.10 0.00 -2.10 0.00 0.00 70.33 69.61 3h4x n THR 230 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h4x s ALA 231 N -0.50 0.28 -0.30 6.98 0.00 -1.26 -4.23 121.76 122.73 3h4x s ALA 231 Ca 0.00 -0.86 -0.10 0.00 0.00 0.00 0.00 51.96 51.00 3h4x s ALA 231 Cb 0.00 0.21 -0.02 0.00 0.00 0.00 0.00 23.12 23.31 3h4x s ALA 231 CO 0.00 -0.26 0.16 -0.06 0.00 0.00 0.00 175.76 175.60 3h4x s PHE 232 N -2.60 3.18 0.28 0.00 0.08 0.26 -4.58 117.98 114.60 3h4x s PHE 232 Ca -0.05 -0.38 -0.29 0.00 0.12 0.00 0.00 56.93 56.33 3h4x s PHE 232 Cb -0.02 -2.36 -0.10 0.00 -0.57 0.00 0.00 43.02 39.98 3h4x s PHE 232 CO -0.05 -0.38 1.12 -1.25 -0.10 0.00 0.00 175.22 174.56 3h4x s PRO 233 N 1.65 4.61 0.13 0.24 0.04 -1.26 -1.33 135.00 139.09 3h4x s PRO 233 Ca 0.06 1.84 0.06 0.00 0.04 0.00 0.00 61.00 63.00 3h4x s PRO 233 Cb -0.17 -3.18 -0.04 0.00 0.04 0.00 0.00 34.50 31.15 3h4x s PRO 233 CO 0.07 0.17 -0.00 0.00 0.04 0.00 0.00 177.00 177.28 3h4x s ALA 234 N -1.13 3.23 -0.40 8.56 0.00 -0.21 -4.27 121.76 127.54 3h4x s ALA 234 Ca 0.45 -1.24 -0.23 0.00 0.00 0.00 0.00 51.96 50.94 3h4x s ALA 234 Cb -0.33 -1.08 0.01 0.00 0.00 0.00 0.00 23.12 21.73 3h4x s ALA 234 CO 0.42 0.59 0.77 0.08 0.00 0.00 0.00 175.76 177.62 3h4x s VAL 235 N -1.50 4.71 -0.22 0.00 1.01 -0.34 -4.78 120.40 119.27 3h4x s VAL 235 Ca 0.26 0.68 -0.10 0.00 0.00 0.00 0.00 61.98 62.83 3h4x s VAL 235 Cb -0.10 -4.24 -0.05 0.00 0.00 0.00 0.00 36.38 31.98 3h4x s VAL 235 CO 0.18 -0.53 0.14 -2.28 0.00 0.00 0.00 175.10 172.61 3h4x s HIS 236 N 3.14 3.35 0.00 5.22 5.04 -1.26 -1.35 115.29 129.43 3h4x s HIS 236 Ca 0.30 0.25 0.00 0.00 -1.54 0.00 0.00 55.06 54.08 3h4x s HIS 236 Cb -0.13 -2.21 0.00 0.00 0.04 0.00 0.00 32.58 30.28 3h4x s HIS 236 CO 0.19 0.16 0.00 0.41 -2.34 0.00 0.00 174.74 173.16 3h4x n GLY 237 N 3.92 1.92 3.74 1.59 0.00 0.75 -4.98 105.19 112.14 3h4x n GLY 237 Ca -0.16 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.50 3h4x n GLY 237 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h4x s ALA 238 N 0.00 3.83 0.02 4.61 0.00 -1.26 -4.87 121.76 124.09 3h4x s ALA 238 Ca 0.00 1.59 -0.15 0.00 0.00 0.00 0.00 51.96 53.39 3h4x s ALA 238 Cb 0.00 -3.67 0.02 0.00 0.00 0.00 0.00 23.12 19.47 3h4x s ALA 238 CO 0.00 -0.97 0.33 0.00 0.00 0.00 0.00 175.76 175.12 3h4x s ALA 239 N 0.46 -0.79 0.81 0.00 0.00 -1.26 -4.99 121.76 115.99 3h4x s ALA 239 Ca 0.68 0.19 -0.12 0.00 0.00 0.00 0.00 51.96 52.71 3h4x s ALA 239 Cb -0.49 0.24 0.08 0.00 0.00 0.00 0.00 23.12 22.95 3h4x s ALA 239 CO 0.42 -0.37 1.12 -1.25 0.00 0.00 0.00 175.76 175.68 3h4x s PRO 240 N -2.11 1.99 4.42 0.00 0.04 -1.26 -4.71 135.00 133.36 3h4x s PRO 240 Ca -0.08 0.45 0.00 0.00 0.04 0.00 0.00 61.00 61.41 3h4x s PRO 240 Cb -0.02 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.59 3h4x s PRO 240 CO -0.00 -1.64 0.00 0.41 0.04 0.00 0.00 177.00 175.80 3h4x n GLY 241 N -2.47 1.33 3.49 0.56 0.00 -1.26 -4.24 105.19 102.59 3h4x n GLY 241 Ca 0.07 -0.64 -0.43 0.00 0.00 0.00 0.00 46.02 45.02 3h4x n GLY 241 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3h4x s ASP 242 N -4.00 6.25 0.64 1.61 -1.08 -1.26 -4.93 116.67 113.90 3h4x s ASP 242 Ca 0.00 -0.61 0.43 0.00 -0.52 0.00 0.00 52.55 51.84 3h4x s ASP 242 Cb 0.00 -2.28 2.26 0.00 -1.46 0.00 0.00 42.92 41.44 3h4x s ASP 242 CO 0.00 -0.75 2.30 -0.65 0.52 0.00 0.00 175.17 176.60 3h4x h PRO 243 N 8.86 0.00 0.00 4.34 0.11 -1.84 -1.82 132.00 141.65 3h4x h PRO 243 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3h4x h PRO 243 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3h4x h PRO 243 CO 0.88 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 179.21 3h4x n ARG 244 N -3.05 0.08 0.05 1.05 1.74 -1.26 -2.16 116.66 113.10 3h4x n ARG 244 Ca -0.02 0.28 0.07 0.00 -0.77 0.00 0.00 57.85 57.41 3h4x n ARG 244 Cb 0.10 -1.63 0.30 0.00 -1.02 0.00 0.00 32.46 30.21 3h4x n ARG 244 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3h4x n GLU 245 N -1.77 0.06 0.27 5.56 -0.58 -0.68 -1.65 120.64 121.85 3h4x n GLU 245 Ca 0.03 0.42 0.16 0.00 -0.42 0.00 0.00 57.16 57.36 3h4x n GLU 245 Cb 0.21 -1.65 0.72 0.00 -0.57 0.00 0.00 31.44 30.15 3h4x n GLU 245 CO 0.00 0.00 0.00 0.07 -0.48 0.00 0.00 177.13 176.72 3h4x h ARG 246 N 0.00 0.00 -5.55 3.49 0.11 -1.67 -3.42 114.38 107.34 3h4x h ARG 246 Ca 0.00 0.00 -0.60 0.00 0.10 0.00 0.00 59.98 59.48 3h4x h ARG 246 Cb 0.16 0.00 -0.11 0.00 1.11 0.00 0.00 29.97 31.13 3h4x h ARG 246 CO 0.00 0.05 0.13 0.71 0.10 0.00 0.00 179.97 180.96 3h4x s TYR 247 N -3.78 3.32 0.23 4.08 2.02 -0.66 -4.95 117.35 117.62 3h4x s TYR 247 Ca -0.00 0.84 0.26 0.00 -0.37 0.00 0.00 57.07 57.80 3h4x s TYR 247 Cb 0.10 -2.81 1.13 0.00 -0.40 0.00 0.00 41.96 39.98 3h4x s TYR 247 CO 0.55 -0.26 1.92 0.00 -1.57 0.00 0.00 175.55 176.18 3h4x h ALA 248 N 7.74 1.10 -2.05 3.71 0.00 -1.87 -3.39 119.26 124.50 3h4x h ALA 248 Ca -0.29 -0.17 -0.66 0.00 0.00 0.00 0.00 54.91 53.79 3h4x h ALA 248 Cb 1.13 -0.03 -0.16 0.00 0.00 0.00 0.00 17.79 18.73 3h4x h ALA 248 CO 0.77 0.23 0.17 0.34 0.00 0.00 0.00 179.25 180.76 3h4x s ASP 249 N -6.14 6.27 0.60 0.00 2.15 -1.26 -4.92 116.67 113.36 3h4x s ASP 249 Ca -0.01 -0.69 0.32 0.00 0.43 0.00 0.00 52.55 52.60 3h4x s ASP 249 Cb 0.11 -2.33 1.91 0.00 -0.30 0.00 0.00 42.92 42.32 3h4x s ASP 249 CO 0.61 -0.94 2.27 -0.65 -0.17 0.00 0.00 175.17 176.29 3h4x h PRO 250 N 9.04 0.00 0.00 4.34 0.11 -1.96 -2.03 132.00 141.50 3h4x h PRO 250 Ca -0.27 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.83 3h4x h PRO 250 Cb 1.09 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 3h4x h PRO 250 CO 0.98 0.00 -0.08 0.00 -0.21 0.00 0.00 178.00 178.69 3h4x h ALA 251 N 2.00 1.12 0.00 -0.75 0.00 -1.94 -2.46 119.26 117.22 3h4x h ALA 251 Ca -0.00 -0.07 -0.20 0.00 0.00 0.00 0.00 54.91 54.64 3h4x h ALA 251 Cb 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3h4x h ALA 251 CO 0.00 0.10 -0.99 -0.07 0.00 0.00 0.00 179.25 178.29 3h4x h LEU 252 N 0.00 0.00 -0.76 0.00 3.38 -1.74 -3.39 115.31 112.80 3h4x h LEU 252 Ca -0.00 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 3h4x h LEU 252 Cb 0.36 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.05 3h4x h LEU 252 CO 0.01 0.92 0.44 0.03 0.09 0.00 0.00 178.44 179.93 3h4x h ARG 253 N 0.00 0.76 0.00 1.13 3.08 -1.54 -2.19 114.38 115.62 3h4x h ARG 253 Ca -0.03 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.97 3h4x h ARG 253 Cb 1.73 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.61 3h4x h ARG 253 CO 0.12 0.50 0.00 -0.35 -1.07 0.00 0.00 179.97 179.17 3h4x n PRO 254 N -4.74 0.77 -0.01 0.04 -0.04 -1.26 -2.01 135.00 127.76 3h4x n PRO 254 Ca 0.11 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.69 3h4x n PRO 254 Cb 0.21 -1.19 0.22 0.00 -0.04 0.00 0.00 33.50 32.69 3h4x n PRO 254 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 3h4x n TRP 255 N -0.69 0.02 -3.65 0.54 7.02 -0.82 -1.16 117.44 118.68 3h4x n TRP 255 Ca 0.07 -0.01 -0.39 0.00 -1.02 0.00 0.00 57.50 56.15 3h4x n TRP 255 Cb 0.03 0.00 -0.12 0.00 -2.42 0.00 0.00 31.31 28.81 3h4x n TRP 255 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 3h4x s PHE 256 N -1.98 3.21 -0.03 -5.99 0.08 -0.85 -4.57 117.98 107.85 3h4x s PHE 256 Ca 0.31 -0.88 0.04 0.00 0.12 0.00 0.00 56.93 56.51 3h4x s PHE 256 Cb 0.20 -2.37 0.06 0.00 -0.57 0.00 0.00 43.02 40.34 3h4x s PHE 256 CO 0.31 -0.58 0.91 1.33 -0.10 0.00 0.00 175.22 177.08 3h4x n VAL 257 N 4.96 0.83 -4.58 -0.44 0.24 -1.26 -4.85 118.33 113.24 3h4x n VAL 257 Ca -0.13 -0.90 -0.22 0.00 -2.04 0.00 0.00 64.34 61.05 3h4x n VAL 257 Cb 0.47 0.48 -0.15 0.00 -1.47 0.00 0.00 33.84 33.17 3h4x n VAL 257 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3h4x s VAL 258 N -1.02 1.01 0.01 3.34 1.01 -1.26 -1.66 120.40 121.82 3h4x s VAL 258 Ca 0.06 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.52 3h4x s VAL 258 Cb 0.05 -0.85 -0.01 0.00 0.00 0.00 0.00 36.38 35.57 3h4x s VAL 258 CO 0.01 0.29 -0.07 -0.36 0.00 0.00 0.00 175.10 174.97 3h4x s PHE 259 N -0.23 0.60 -0.07 5.22 0.08 -0.16 -1.20 117.98 122.21 3h4x s PHE 259 Ca 0.04 -0.19 -0.03 0.00 0.12 0.00 0.00 56.93 56.87 3h4x s PHE 259 Cb -0.06 -0.38 0.04 0.00 -0.57 0.00 0.00 43.02 42.06 3h4x s PHE 259 CO -0.00 -0.02 0.14 0.34 -0.10 0.00 0.00 175.22 175.58 3h4x s ASP 260 N -0.46 0.80 0.24 1.36 -1.08 -0.46 -0.34 116.67 116.73 3h4x s ASP 260 Ca -0.00 0.28 -0.22 0.00 -0.52 0.00 0.00 52.55 52.09 3h4x s ASP 260 Cb -0.04 0.19 0.05 0.00 -1.46 0.00 0.00 42.92 41.66 3h4x s ASP 260 CO -0.00 -0.24 0.84 -0.83 0.52 0.00 0.00 175.17 175.46 3h4x s GLY 261 N 2.24 -0.07 0.08 2.66 0.00 -0.37 -0.18 107.32 111.68 3h4x s GLY 261 Ca 0.03 -0.21 -0.31 0.00 0.00 0.00 0.00 44.72 44.23 3h4x s GLY 261 CO -0.05 0.11 1.54 -0.35 0.00 0.00 0.00 173.10 174.35 3h4x s ASP 262 N -2.99 6.69 0.13 1.64 2.15 -1.26 -0.85 116.67 122.19 3h4x s ASP 262 Ca 0.13 2.40 -0.19 0.00 0.43 0.00 0.00 52.55 55.32 3h4x s ASP 262 Cb -0.04 -2.57 -0.02 0.00 -0.30 0.00 0.00 42.92 39.99 3h4x s ASP 262 CO 0.06 -0.80 1.74 0.00 -0.17 0.00 0.00 175.17 176.00 3h4x h ALA 263 N 7.66 0.25 -0.95 3.66 0.00 -1.34 -1.40 119.26 127.14 3h4x h ALA 263 Ca -0.41 0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.57 3h4x h ALA 263 Cb 1.20 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.97 3h4x h ALA 263 CO 0.91 -0.36 0.62 0.00 0.00 0.00 0.00 179.25 180.42 3h4x h ALA 264 N 1.16 1.41 -0.35 0.00 0.00 -1.82 -1.73 119.26 117.92 3h4x h ALA 264 Ca 0.11 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3h4x h ALA 264 Cb 0.09 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3h4x h ALA 264 CO -0.13 0.49 0.13 1.15 0.00 0.00 0.00 179.25 180.89 3h4x h THR 265 N 1.17 1.20 0.00 0.00 2.02 -1.82 -2.08 112.91 113.40 3h4x h THR 265 Ca 0.38 -0.62 -0.00 0.00 0.77 0.00 0.00 66.41 66.94 3h4x h THR 265 Cb 0.05 0.95 -0.00 0.00 -1.74 0.00 0.00 68.15 67.41 3h4x h THR 265 CO -0.12 0.22 -0.00 1.88 0.37 0.00 0.00 175.52 177.86 3h4x h TYR 266 N 0.42 0.00 -0.63 3.16 0.05 -0.56 -2.06 116.97 117.34 3h4x h TYR 266 Ca 0.12 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.90 3h4x h TYR 266 Cb 0.22 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.96 3h4x h TYR 266 CO 0.00 0.00 0.00 1.28 -1.05 0.00 0.00 178.16 178.40 3h4x n LEU 267 N -3.90 3.78 -0.48 3.88 4.32 -0.72 -4.53 117.00 119.35 3h4x n LEU 267 Ca -0.03 -1.89 0.11 0.00 -0.02 0.00 0.00 56.01 54.18 3h4x n LEU 267 Cb 0.09 -0.42 0.42 0.00 -1.62 0.00 0.00 43.42 41.88 3h4x n LEU 267 CO 0.28 0.92 0.80 -0.46 -1.22 0.00 0.00 177.39 177.71 3h4x n ASN 268 N 1.53 1.46 0.00 -1.43 0.23 -0.78 -4.90 115.26 111.38 3h4x n ASN 268 Ca 0.22 -1.65 0.00 0.00 -0.53 0.00 0.00 54.58 52.63 3h4x n ASN 268 Cb 0.60 -0.08 0.00 0.00 -2.08 0.00 0.00 39.78 38.22 3h4x n ASN 268 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3h4x n GLY 269 N 1.10 1.04 0.02 4.83 0.00 -1.26 -4.93 105.19 105.98 3h4x n GLY 269 Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.30 3h4x n GLY 269 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3h4x n SER 270 N 0.00 0.55 -4.05 1.61 3.41 -1.26 -4.87 113.62 109.01 3h4x n SER 270 Ca 0.00 -0.10 -0.25 0.00 -0.26 0.00 0.00 58.87 58.26 3h4x n SER 270 Cb 0.00 0.22 -0.17 0.00 -0.26 0.00 0.00 64.21 64.01 3h4x n SER 270 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3h4x s ILE 271 N -3.06 1.25 -0.83 -1.33 1.01 -1.26 -4.62 121.20 112.36 3h4x s ILE 271 Ca 0.09 -0.55 -0.22 0.00 0.00 0.00 0.00 60.65 59.97 3h4x s ILE 271 Cb 0.16 -1.13 0.08 0.00 0.01 0.00 0.00 42.46 41.58 3h4x s ILE 271 CO 0.70 0.38 1.16 -0.62 0.00 0.00 0.00 174.94 176.57 3h4x s ASP 272 N 0.61 6.37 0.22 3.58 2.15 -1.26 -4.87 116.67 123.47 3h4x s ASP 272 Ca -0.15 -1.30 0.25 0.00 0.43 0.00 0.00 52.55 51.77 3h4x s ASP 272 Cb -0.16 -2.47 0.91 0.00 -0.30 0.00 0.00 42.92 40.90 3h4x s ASP 272 CO 0.04 -1.41 1.74 0.35 -0.17 0.00 0.00 175.17 175.72 3h4x n THR 273 N 6.08 0.70 0.26 1.71 -2.24 -1.26 -2.73 114.28 116.80 3h4x n THR 273 Ca 0.13 -0.01 0.11 0.00 -2.27 0.00 0.00 64.05 62.01 3h4x n THR 273 Cb 0.48 -0.88 0.71 0.00 -2.10 0.00 0.00 70.33 68.54 3h4x n THR 273 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3h4x h SER 274 N 0.00 0.00 -0.84 3.42 4.64 -1.89 -2.57 113.55 116.31 3h4x h SER 274 Ca 0.00 0.00 0.14 0.00 -0.47 0.00 0.00 61.79 61.46 3h4x h SER 274 Cb 0.53 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.53 3h4x h SER 274 CO 0.00 0.09 0.44 -0.25 -0.87 0.00 0.00 176.83 176.24 3h4x h TRP 275 N 0.00 0.77 -0.47 4.77 7.01 -1.94 -0.37 115.95 125.72 3h4x h TRP 275 Ca -0.00 0.03 -0.09 0.00 2.11 0.00 0.00 58.89 60.94 3h4x h TRP 275 Cb 0.21 -0.22 -0.02 0.00 -2.10 0.00 0.00 29.16 27.03 3h4x h TRP 275 CO 0.00 0.21 -0.08 1.88 -2.79 0.00 0.00 178.44 177.66 3h4x h TYR 276 N 0.64 0.99 -0.32 2.65 0.05 -1.68 -2.85 116.97 116.45 3h4x h TYR 276 Ca 0.45 -0.20 -0.08 0.00 0.05 0.00 0.00 58.73 58.95 3h4x h TYR 276 Cb 0.60 -0.25 -0.01 0.00 1.01 0.00 0.00 36.73 38.08 3h4x h TYR 276 CO -0.09 0.96 -0.10 0.22 -1.05 0.00 0.00 178.16 178.09 3h4x h ASP 277 N 0.73 0.65 -0.79 3.88 1.82 -1.41 -0.55 116.42 120.75 3h4x h ASP 277 Ca 0.12 -0.38 0.05 0.00 -0.39 0.00 0.00 57.03 56.44 3h4x h ASP 277 Cb 0.61 -0.18 -0.05 0.00 0.68 0.00 0.00 39.33 40.40 3h4x h ASP 277 CO 0.04 0.88 0.52 0.74 -1.61 0.00 0.00 179.24 179.81 3h4x h THR 278 N 0.42 1.08 -0.02 2.25 2.02 -1.07 -2.18 112.91 115.40 3h4x h THR 278 Ca 0.08 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 66.95 3h4x h THR 278 Cb 0.61 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.10 3h4x h THR 278 CO 0.04 0.17 -0.05 0.54 0.37 0.00 0.00 175.52 176.58 3h4x n ARG 279 N -4.47 1.73 -1.69 6.66 1.74 -1.08 -4.94 116.66 114.61 3h4x n ARG 279 Ca 0.11 -1.17 -0.12 0.00 -0.77 0.00 0.00 57.85 55.90 3h4x n ARG 279 Cb 0.17 -1.48 -0.04 0.00 -1.02 0.00 0.00 32.46 30.10 3h4x n ARG 279 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3h4x n HIS 280 N 0.38 -0.22 -2.65 -1.55 8.25 -0.70 -3.83 115.22 114.91 3h4x n HIS 280 Ca 0.16 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.28 3h4x n HIS 280 Cb 0.42 -2.45 -0.05 0.00 1.12 0.00 0.00 29.99 29.04 3h4x n HIS 280 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3h4x s TYR 281 N -2.52 3.15 0.01 4.41 2.02 -0.30 -4.84 117.35 119.28 3h4x s TYR 281 Ca 0.00 1.60 -0.27 0.00 -0.37 0.00 0.00 57.07 58.04 3h4x s TYR 281 Cb 0.00 -2.99 -0.04 0.00 -0.40 0.00 0.00 41.96 38.52 3h4x s TYR 281 CO 0.00 -0.53 0.83 -0.51 -1.57 0.00 0.00 175.55 173.77 3h4x s LEU 282 N -3.25 4.39 -0.26 -1.29 1.43 -0.67 -4.60 118.68 114.43 3h4x s LEU 282 Ca 0.64 1.48 0.02 0.00 -1.03 0.00 0.00 54.13 55.24 3h4x s LEU 282 Cb -0.14 -3.33 0.07 0.00 0.03 0.00 0.00 46.19 42.81 3h4x s LEU 282 CO 0.18 -0.11 -0.07 -0.22 0.23 0.00 0.00 176.35 176.36 3h4x s LEU 283 N 0.51 3.37 -0.24 1.79 2.96 -1.26 -0.99 118.68 124.81 3h4x s LEU 283 Ca 0.43 -1.44 -0.15 0.00 -0.22 0.00 0.00 54.13 52.75 3h4x s LEU 283 Cb -0.20 -1.45 -0.04 0.00 0.50 0.00 0.00 46.19 45.00 3h4x s LEU 283 CO 0.24 -0.23 0.38 -0.63 -1.32 0.00 0.00 176.35 174.79 3h4x s ILE 284 N 1.16 5.19 -0.29 6.68 1.09 0.54 0.04 121.20 135.60 3h4x s ILE 284 Ca -0.05 0.62 -0.07 0.00 -1.10 0.00 0.00 60.65 60.05 3h4x s ILE 284 Cb -0.20 -3.71 0.01 0.00 -1.06 0.00 0.00 42.46 37.51 3h4x s ILE 284 CO -0.06 0.20 0.07 -0.04 -0.10 0.00 0.00 174.94 175.01 3h4x s MET 285 N 1.74 3.09 0.39 2.79 -1.94 -0.04 -1.24 119.30 124.09 3h4x s MET 285 Ca 0.16 -0.86 0.00 0.00 -1.71 0.00 0.00 55.69 53.29 3h4x s MET 285 Cb -0.15 -3.35 -0.02 0.00 2.01 0.00 0.00 34.83 33.32 3h4x s MET 285 CO 0.09 -0.44 0.60 0.95 -0.01 0.00 0.00 175.02 176.21 3h4x s THR 286 N 1.49 4.62 -1.36 2.05 -4.23 -0.03 -1.23 115.64 116.95 3h4x s THR 286 Ca 0.02 -0.47 -0.03 0.00 -1.18 0.00 0.00 61.69 60.03 3h4x s THR 286 Cb -0.17 -3.69 -0.00 0.00 1.34 0.00 0.00 72.50 69.98 3h4x s THR 286 CO 0.02 -0.47 0.48 0.47 -0.54 0.00 0.00 174.62 174.59 3h4x n ASP 287 N -1.91 -1.06 0.08 3.99 8.00 -0.92 -1.06 116.55 123.67 3h4x n ASP 287 Ca -0.02 -1.00 0.18 0.00 0.71 0.00 0.00 54.79 54.66 3h4x n ASP 287 Cb 0.57 -3.12 0.73 0.00 -0.02 0.00 0.00 41.12 39.27 3h4x n ASP 287 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3h4x h ALA 288 N 0.85 2.24 0.00 2.24 0.00 -1.25 -0.89 119.26 122.44 3h4x h ALA 288 Ca -0.64 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.25 3h4x h ALA 288 Cb 1.37 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.19 3h4x h ALA 288 CO 0.60 -0.51 -0.03 1.12 0.00 0.00 0.00 179.25 180.43 3h4x h HIS 289 N 0.00 0.00 -0.00 0.00 2.07 -1.86 -3.04 115.15 112.32 3h4x h HIS 289 Ca 0.18 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.70 3h4x h HIS 289 Cb 0.81 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.79 3h4x h HIS 289 CO 0.00 0.03 -0.08 0.09 -3.07 0.00 0.00 177.93 174.90 3h4x n ASN 290 N -3.14 0.57 -4.73 3.10 5.03 -0.34 -1.33 115.26 114.42 3h4x n ASN 290 Ca 0.00 -0.78 -0.42 0.00 0.87 0.00 0.00 54.58 54.26 3h4x n ASN 290 Cb 0.31 -0.04 -0.03 0.00 -1.02 0.00 0.00 39.78 39.00 3h4x n ASN 290 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3h4x s VAL 291 N -2.34 2.51 0.34 2.41 1.01 -1.15 -4.70 120.40 118.48 3h4x s VAL 291 Ca 0.33 0.39 -0.27 0.00 0.00 0.00 0.00 61.98 62.43 3h4x s VAL 291 Cb 0.20 -3.25 -0.09 0.00 0.00 0.00 0.00 36.38 33.25 3h4x s VAL 291 CO 0.44 0.04 1.10 -2.16 0.00 0.00 0.00 175.10 174.53 3h4x s PRO 292 N 0.50 4.36 0.16 2.72 0.04 -1.26 -3.03 135.00 138.50 3h4x s PRO 292 Ca 0.67 1.73 -0.30 0.00 0.04 0.00 0.00 61.00 63.13 3h4x s PRO 292 Cb -0.44 -2.88 -0.07 0.00 0.04 0.00 0.00 34.50 31.15 3h4x s PRO 292 CO 0.37 -0.02 1.07 -1.25 0.04 0.00 0.00 177.00 177.21 3h4x s PRO 293 N -1.96 4.62 0.47 0.56 0.04 -1.26 -5.10 135.00 132.37 3h4x s PRO 293 Ca 0.51 1.65 -0.24 0.00 0.04 0.00 0.00 61.00 62.96 3h4x s PRO 293 Cb -0.29 -3.30 -0.07 0.00 0.04 0.00 0.00 34.50 30.88 3h4x s PRO 293 CO 0.37 0.11 1.33 0.14 0.04 0.00 0.00 177.00 178.99 3h4x s VAL 294 N -0.19 2.38 0.39 -0.36 -7.23 -1.17 -4.98 120.40 109.24 3h4x s VAL 294 Ca 0.49 0.32 0.05 0.00 -1.81 0.00 0.00 61.98 61.03 3h4x s VAL 294 Cb -0.28 -3.18 -0.06 0.00 0.56 0.00 0.00 36.38 33.42 3h4x s VAL 294 CO 0.34 0.03 0.03 0.27 -0.31 0.00 0.00 175.10 175.45 3h4x s ILE 295 N -1.30 1.55 0.38 -0.62 -4.36 -0.44 -5.04 121.20 111.37 3h4x s ILE 295 Ca 0.63 -2.00 -0.27 0.00 -0.26 0.00 0.00 60.65 58.75 3h4x s ILE 295 Cb -0.39 -2.80 -0.09 0.00 1.25 0.00 0.00 42.46 40.43 3h4x s ILE 295 CO 0.48 0.00 1.25 -0.62 0.24 0.00 0.00 174.94 176.29 3h4x s ASP 296 N -3.65 6.57 0.19 4.36 2.15 -1.26 -4.61 116.67 120.42 3h4x s ASP 296 Ca 0.31 2.54 0.26 0.00 0.43 0.00 0.00 52.55 56.09 3h4x s ASP 296 Cb 0.08 -2.63 0.87 0.00 -0.30 0.00 0.00 42.92 40.94 3h4x s ASP 296 CO 0.15 -0.66 1.78 0.61 -0.17 0.00 0.00 175.17 176.88 3h4x n GLY 297 N 0.73 -1.63 1.17 2.66 0.00 -1.26 -3.88 105.19 102.98 3h4x n GLY 297 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3h4x n GLY 297 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3h4x n THR 298 N -2.18 0.18 -2.61 2.61 -1.04 -1.26 -0.81 114.28 109.17 3h4x n THR 298 Ca 0.05 0.06 -0.27 0.00 -2.04 0.00 0.00 64.05 61.85 3h4x n THR 298 Cb 0.39 -1.35 -0.01 0.00 -1.82 0.00 0.00 70.33 67.54 3h4x n THR 298 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 3h4x n HIS 299 N -3.02 3.60 -1.55 -1.42 8.25 -1.26 -4.38 115.22 115.44 3h4x n HIS 299 Ca 0.00 -3.36 -0.29 0.00 -0.26 0.00 0.00 57.72 53.80 3h4x n HIS 299 Cb 0.35 -0.23 0.17 0.00 1.12 0.00 0.00 29.99 31.40 3h4x n HIS 299 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3h4x s PRO 300 N -3.54 0.58 0.60 -0.41 0.04 -1.25 -4.82 135.00 126.20 3h4x s PRO 300 Ca 0.48 0.05 -0.16 0.00 0.04 0.00 0.00 61.00 61.41 3h4x s PRO 300 Cb 0.36 -1.80 -0.03 0.00 0.04 0.00 0.00 34.50 33.07 3h4x s PRO 300 CO -0.18 -2.53 1.06 0.95 0.04 0.00 0.00 177.00 176.34 3h4x s THR 301 N -3.38 3.82 0.24 1.26 -4.23 -1.26 -4.91 115.64 107.17 3h4x s THR 301 Ca 0.68 0.85 -0.06 0.00 -1.18 0.00 0.00 61.69 61.98 3h4x s THR 301 Cb -0.11 -3.38 0.20 0.00 1.34 0.00 0.00 72.50 70.54 3h4x s THR 301 CO 0.54 -0.52 1.81 -0.08 -0.54 0.00 0.00 174.62 175.83 3h4x h GLU 302 N 0.40 0.75 -0.55 3.99 4.81 -1.99 -1.64 114.58 120.35 3h4x h GLU 302 Ca -0.47 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 58.69 3h4x h GLU 302 Cb 1.22 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.41 3h4x h GLU 302 CO 0.57 0.50 0.24 0.00 -0.73 0.00 0.00 179.01 179.59 3h4x h ALA 303 N 1.43 0.71 -0.48 2.92 0.00 -1.99 -0.54 119.26 121.31 3h4x h ALA 303 Ca 0.37 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.15 3h4x h ALA 303 Cb 0.31 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3h4x h ALA 303 CO -0.23 0.30 0.30 0.93 0.00 0.00 0.00 179.25 180.55 3h4x h GLU 304 N 0.75 0.58 -0.31 0.00 5.08 -1.82 -1.67 114.58 117.20 3h4x h GLU 304 Ca 0.19 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.42 3h4x h GLU 304 Cb 0.16 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3h4x h GLU 304 CO -0.02 0.39 -0.16 0.00 -1.00 0.00 0.00 179.01 178.22 3h4x h ALA 305 N 1.20 0.44 -0.62 3.43 0.00 -1.00 -1.78 119.26 120.93 3h4x h ALA 305 Ca 0.18 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3h4x h ALA 305 Cb -0.02 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3h4x h ALA 305 CO -0.07 0.35 0.32 -0.07 0.00 0.00 0.00 179.25 179.78 3h4x h LEU 306 N 0.42 0.79 -0.95 0.00 3.38 -1.04 -0.47 115.31 117.44 3h4x h LEU 306 Ca 0.07 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3h4x h LEU 306 Cb 0.69 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.19 3h4x h LEU 306 CO 0.05 0.68 0.60 0.00 0.09 0.00 0.00 178.44 179.86 3h4x h ALA 307 N 1.14 1.21 -0.46 1.53 0.00 -1.19 -1.20 119.26 120.29 3h4x h ALA 307 Ca 0.21 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3h4x h ALA 307 Cb 0.09 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3h4x h ALA 307 CO -0.03 0.64 0.04 -0.09 0.00 0.00 0.00 179.25 179.81 3h4x h ARG 308 N 1.30 0.79 -0.59 0.00 9.65 -0.74 -0.57 114.38 124.22 3h4x h ARG 308 Ca 0.34 -0.23 -0.00 0.00 -1.10 0.00 0.00 59.98 58.99 3h4x h ARG 308 Cb -0.09 -0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 28.38 3h4x h ARG 308 CO -0.07 0.83 0.36 0.28 2.80 0.00 0.00 179.97 184.17 3h4x h VAL 309 N 0.65 1.17 -0.84 0.20 2.07 -0.78 -1.27 116.25 117.46 3h4x h VAL 309 Ca 0.14 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 3h4x h VAL 309 Cb 0.44 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 3h4x h VAL 309 CO 0.02 0.17 0.42 0.03 0.02 0.00 0.00 177.57 178.23 3h4x h ARG 310 N 0.79 1.19 -0.39 1.57 2.47 -0.99 0.34 114.38 119.37 3h4x h ARG 310 Ca 0.21 -0.16 -0.00 0.00 -1.26 0.00 0.00 59.98 58.76 3h4x h ARG 310 Cb -0.04 -0.22 -0.02 0.00 -1.65 0.00 0.00 29.97 28.04 3h4x h ARG 310 CO -0.04 0.90 0.22 0.37 0.56 0.00 0.00 179.97 181.98 3h4x h GLN 311 N 1.18 0.53 -0.18 0.04 4.15 -0.72 -1.58 115.11 118.53 3h4x h GLN 311 Ca 0.29 -0.05 -0.12 0.00 0.77 0.00 0.00 58.65 59.54 3h4x h GLN 311 Cb 0.09 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.66 3h4x h GLN 311 CO -0.04 0.41 -0.40 -0.07 -1.93 0.00 0.00 178.83 176.80 3h4x h LEU 312 N 0.50 0.44 -0.44 -2.39 3.38 -0.90 -1.94 115.31 113.95 3h4x h LEU 312 Ca 0.14 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.93 3h4x h LEU 312 Cb 0.03 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3h4x h LEU 312 CO -0.02 0.79 0.28 0.00 0.09 0.00 0.00 178.44 179.58 3h4x h ALA 313 N 1.23 0.56 0.00 1.53 0.00 -0.71 -0.97 119.26 120.90 3h4x h ALA 313 Ca 0.03 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3h4x h ALA 313 Cb 0.86 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3h4x h ALA 313 CO 0.07 -0.01 -0.19 0.00 0.00 0.00 0.00 179.25 179.12 3h4x h ALA 314 N 1.18 1.60 -0.28 0.00 0.00 -0.99 0.17 119.26 120.93 3h4x h ALA 314 Ca 0.17 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3h4x h ALA 314 Cb -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3h4x h ALA 314 CO -0.05 0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.43 3h4x n ALA 315 N -2.46 2.79 -1.04 0.00 0.00 -0.76 -4.55 120.51 114.50 3h4x n ALA 315 Ca -0.02 -0.70 -0.01 0.00 0.00 0.00 0.00 53.44 52.71 3h4x n ALA 315 Cb 0.25 -1.02 -0.01 0.00 0.00 0.00 0.00 19.45 18.68 3h4x n ALA 315 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3h4x n HIS 316 N 0.35 0.00 -1.96 0.00 8.25 -0.23 -4.72 115.22 116.90 3h4x n HIS 316 Ca 0.11 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.19 3h4x n HIS 316 Cb 0.47 -0.61 0.02 0.00 1.12 0.00 0.00 29.99 30.99 3h4x n HIS 316 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3h4x s ALA 317 N -2.03 3.00 -0.06 -1.41 0.00 -0.43 -4.71 121.76 116.11 3h4x s ALA 317 Ca 0.00 1.23 -0.01 0.00 0.00 0.00 0.00 51.96 53.17 3h4x s ALA 317 Cb 0.00 -3.51 -0.26 0.00 0.00 0.00 0.00 23.12 19.35 3h4x s ALA 317 CO 0.00 -1.05 0.59 0.77 0.00 0.00 0.00 175.76 176.07 3h4x h SER 318 N 1.97 0.32 -4.03 0.00 0.02 -0.61 -3.40 113.55 107.82 3h4x h SER 318 Ca -0.50 -0.61 -0.30 0.00 -0.84 0.00 0.00 61.79 59.55 3h4x h SER 318 Cb 1.27 -0.10 -0.27 0.00 0.14 0.00 0.00 62.40 63.44 3h4x h SER 318 CO 0.60 1.53 -0.74 -0.36 -1.14 0.00 0.00 176.83 176.72 3h4x s PHE 319 N -2.59 0.40 -0.16 3.45 0.08 -0.82 -0.96 117.98 117.38 3h4x s PHE 319 Ca -0.14 -0.14 -0.01 0.00 0.12 0.00 0.00 56.93 56.76 3h4x s PHE 319 Cb 0.07 -0.26 -0.00 0.00 -0.57 0.00 0.00 43.02 42.26 3h4x s PHE 319 CO 0.81 -0.02 -0.13 0.00 -0.10 0.00 0.00 175.22 175.78 3h4x s ALA 320 N -0.32 2.58 0.08 5.36 0.00 -0.23 -0.86 121.76 128.38 3h4x s ALA 320 Ca -0.01 -1.05 0.10 0.00 0.00 0.00 0.00 51.96 51.01 3h4x s ALA 320 Cb -0.03 -1.32 -0.03 0.00 0.00 0.00 0.00 23.12 21.74 3h4x s ALA 320 CO -0.00 -0.07 -0.26 0.95 0.00 0.00 0.00 175.76 176.37 3h4x s THR 321 N 0.88 2.16 0.00 0.00 -4.23 -0.36 -0.80 115.64 113.28 3h4x s THR 321 Ca -0.03 -1.55 0.00 0.00 -1.18 0.00 0.00 61.69 58.92 3h4x s THR 321 Cb -0.15 -1.88 0.00 0.00 1.34 0.00 0.00 72.50 71.81 3h4x s THR 321 CO -0.00 0.23 0.00 0.00 -0.54 0.00 0.00 174.62 174.30 3h4x n ALA 322 N 1.38 0.00 -1.73 3.99 0.00 -1.08 -0.96 120.51 122.10 3h4x n ALA 322 Ca -0.17 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.10 3h4x n ALA 322 Cb 0.52 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.07 3h4x n ALA 322 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3h4x n ASP 323 N 0.00 4.23 -1.81 0.00 8.00 0.01 -0.92 116.55 126.06 3h4x n ASP 323 Ca 0.00 -3.79 -0.08 0.00 0.71 0.00 0.00 54.79 51.63 3h4x n ASP 323 Cb 0.00 -0.52 -0.07 0.00 -0.02 0.00 0.00 41.12 40.50 3h4x n ASP 323 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 3h4x n TRP 324 N -0.90 0.24 0.27 1.24 8.01 -1.23 -4.36 117.44 120.71 3h4x n TRP 324 Ca 0.40 -1.35 0.13 0.00 -1.31 0.00 0.00 57.50 55.37 3h4x n TRP 324 Cb 0.90 -1.06 0.81 0.00 -2.01 0.00 0.00 31.31 29.96 3h4x n TRP 324 CO 0.00 0.00 0.00 0.10 -1.01 0.00 0.00 177.69 176.78 3h4x h TYR 325 N 2.01 0.00 0.00 -5.99 -0.00 -1.91 -0.98 116.97 110.11 3h4x h TYR 325 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.86 3h4x h TYR 325 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.92 3h4x h TYR 325 CO 1.01 0.00 0.00 -2.30 -0.00 0.00 0.00 178.16 176.87 3h4x n PRO 326 N -4.10 0.26 -3.21 0.10 -0.02 -1.26 -4.08 135.00 122.67 3h4x n PRO 326 Ca -0.02 0.12 -0.26 0.00 -2.02 0.00 0.00 63.50 61.31 3h4x n PRO 326 Cb 0.11 -1.50 -0.06 0.00 -0.02 0.00 0.00 33.50 32.03 3h4x n PRO 326 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3h4x n LEU 327 N -1.27 3.43 0.16 2.45 4.77 -0.37 -4.91 117.00 121.26 3h4x n LEU 327 Ca 0.08 -5.42 0.13 0.00 -0.03 0.00 0.00 56.01 50.78 3h4x n LEU 327 Cb 0.13 -0.39 0.67 0.00 -2.33 0.00 0.00 43.42 41.51 3h4x n LEU 327 CO 0.13 2.18 1.12 1.55 -1.33 0.00 0.00 177.39 181.04 3h4x h PRO 328 N 3.66 0.00 -0.89 3.23 0.13 -1.77 -0.20 132.00 136.16 3h4x h PRO 328 Ca 0.15 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.28 3h4x h PRO 328 Cb 0.65 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.74 3h4x h PRO 328 CO 0.77 0.00 0.52 0.66 -0.23 0.00 0.00 178.00 179.72 3h4x h SER 329 N 0.00 1.09 -0.28 1.44 4.64 -1.91 -1.80 113.55 116.73 3h4x h SER 329 Ca 0.10 -0.08 -0.14 0.00 -0.47 0.00 0.00 61.79 61.19 3h4x h SER 329 Cb 0.40 -0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 62.22 3h4x h SER 329 CO -0.00 0.85 -0.39 0.58 -0.87 0.00 0.00 176.83 177.00 3h4x h VAL 330 N 1.23 1.30 -0.16 0.95 2.07 -1.46 -3.18 116.25 116.99 3h4x h VAL 330 Ca 0.32 -1.57 0.05 0.00 0.82 0.00 0.00 66.70 66.31 3h4x h VAL 330 Cb -0.02 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 3h4x h VAL 330 CO -0.06 0.51 0.12 -0.07 0.02 0.00 0.00 177.57 178.09 3h4x h LEU 331 N 0.51 0.00 -0.19 2.57 3.38 -0.74 -1.11 115.31 119.74 3h4x h LEU 331 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3h4x h LEU 331 Cb 0.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.73 3h4x h LEU 331 CO 0.09 0.00 -0.10 0.29 0.09 0.00 0.00 178.44 178.81 3h4x n LYS 332 N -4.41 0.63 -1.86 1.13 5.02 -0.72 -3.76 118.16 114.19 3h4x n LYS 332 Ca 0.01 -0.19 -0.42 0.00 -2.02 0.00 0.00 58.31 55.69 3h4x n LYS 332 Cb 0.25 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.74 3h4x n LYS 332 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3h4x s THR 333 N -2.50 2.49 -0.08 -0.18 2.01 -0.42 -4.99 115.64 111.97 3h4x s THR 333 Ca 0.28 0.30 -0.01 0.00 0.31 0.00 0.00 61.69 62.58 3h4x s THR 333 Cb 0.20 -3.19 0.03 0.00 0.01 0.00 0.00 72.50 69.55 3h4x s THR 333 CO 0.48 0.02 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.71 3h4x s VAL 334 N 1.43 0.61 0.24 3.82 1.01 -1.26 -3.86 120.40 122.38 3h4x s VAL 334 Ca 0.73 -0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.70 3h4x s VAL 334 Cb -0.45 -0.70 -0.05 0.00 0.00 0.00 0.00 36.38 35.18 3h4x s VAL 334 CO 0.32 0.29 0.01 0.68 0.00 0.00 0.00 175.10 176.40 3h4x s VAL 335 N 1.73 0.99 0.36 2.92 -7.23 -0.33 -4.95 120.40 113.89 3h4x s VAL 335 Ca 0.02 -2.03 -0.28 0.00 -1.81 0.00 0.00 61.98 57.89 3h4x s VAL 335 Cb -0.13 -2.41 -0.10 0.00 0.56 0.00 0.00 36.38 34.30 3h4x s VAL 335 CO -0.05 -0.27 1.35 -2.84 -0.31 0.00 0.00 175.10 172.99 3h4x s PRO 336 N -3.88 4.21 -0.06 4.82 0.02 -1.26 -0.15 135.00 138.70 3h4x s PRO 336 Ca 0.30 2.30 -0.23 0.00 0.02 0.00 0.00 61.00 63.39 3h4x s PRO 336 Cb 0.06 -2.98 -0.04 0.00 0.02 0.00 0.00 34.50 31.56 3h4x s PRO 336 CO 0.10 -0.34 0.68 0.50 -0.33 0.00 0.00 177.00 177.61 3h4x s ARG 337 N -1.96 4.43 -0.34 5.54 3.52 -0.32 -4.27 118.95 125.55 3h4x s ARG 337 Ca 0.51 0.85 -0.02 0.00 -0.13 0.00 0.00 55.73 56.95 3h4x s ARG 337 Cb -0.41 -3.43 0.00 0.00 -1.56 0.00 0.00 34.95 29.55 3h4x s ARG 337 CO 0.55 0.11 0.29 0.41 -0.81 0.00 0.00 175.30 175.86 3h4x n GLY 338 N 3.00 0.52 2.91 8.12 0.00 0.42 -4.85 105.19 115.31 3h4x n GLY 338 Ca -0.02 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.58 3h4x n GLY 338 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32