#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sa4 s VAL 56 N 0.00 1.66 0.53 -4.37 0.11 -1.26 -5.14 120.40 111.93 1sa4 s VAL 56 Ca 0.00 -0.83 -0.07 0.00 -2.93 0.00 0.00 61.98 58.14 1sa4 s VAL 56 Cb 0.00 -1.42 -0.04 0.00 -1.53 0.00 0.00 36.38 33.39 1sa4 s VAL 56 CO 0.00 0.47 0.87 -0.55 -3.33 0.00 0.00 175.10 172.56 1sa4 s SER 57 N 0.06 6.26 0.60 3.54 0.15 -1.26 -4.97 113.70 118.07 1sa4 s SER 57 Ca -0.06 1.11 0.30 0.00 0.70 0.00 0.00 55.95 58.00 1sa4 s SER 57 Cb -0.13 -2.33 1.73 0.00 -1.71 0.00 0.00 66.02 63.58 1sa4 s SER 57 CO 0.03 -0.68 2.14 -0.07 1.20 0.00 0.00 173.24 175.87 1sa4 h LEU 58 N 0.06 0.00 -1.48 3.45 3.38 -1.98 -1.34 115.31 117.40 1sa4 h LEU 58 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1sa4 h LEU 58 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1sa4 h LEU 58 CO 0.62 0.00 -0.10 0.47 0.09 0.00 0.00 178.44 179.52 1sa4 n ASP 59 N -3.74 2.28 -4.77 -0.43 9.92 -1.26 -4.95 116.55 113.60 1sa4 n ASP 59 Ca 0.00 -1.64 -0.39 0.00 -0.53 0.00 0.00 54.79 52.23 1sa4 n ASP 59 Cb 0.26 0.13 0.01 0.00 -0.64 0.00 0.00 41.12 40.88 1sa4 n ASP 59 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1sa4 s SER 60 N -1.63 6.04 0.53 -2.24 0.01 -0.51 -4.90 113.70 111.01 1sa4 s SER 60 Ca 0.19 2.77 0.18 0.00 1.31 0.00 0.00 55.95 60.40 1sa4 s SER 60 Cb 0.15 -2.64 1.36 0.00 0.21 0.00 0.00 66.02 65.09 1sa4 s SER 60 CO 0.28 -1.04 2.16 1.55 0.41 0.00 0.00 173.24 176.60 1sa4 h PRO 61 N 2.42 0.00 -0.63 12.44 0.13 -1.94 -2.16 132.00 142.26 1sa4 h PRO 61 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1sa4 h PRO 61 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1sa4 h PRO 61 CO 0.61 0.01 0.00 -1.13 -0.23 0.00 0.00 178.00 177.26 1sa4 n SER 62 N -4.41 4.04 -4.76 1.44 3.41 -1.26 -4.96 113.62 107.11 1sa4 n SER 62 Ca -0.03 -2.37 -0.41 0.00 -0.26 0.00 0.00 58.87 55.80 1sa4 n SER 62 Cb 0.09 -0.53 -0.02 0.00 -0.26 0.00 0.00 64.21 63.50 1sa4 n SER 62 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1sa4 s TYR 63 N -1.80 2.93 -0.03 7.33 5.04 -0.81 -5.02 117.35 124.99 1sa4 s TYR 63 Ca 0.42 1.10 0.07 0.00 -2.44 0.00 0.00 57.07 56.22 1sa4 s TYR 63 Cb 0.27 -3.85 -0.01 0.00 0.35 0.00 0.00 41.96 38.72 1sa4 s TYR 63 CO 0.20 -2.66 -0.24 0.08 -1.34 0.00 0.00 175.55 171.60 1sa4 s VAL 64 N -0.41 1.89 0.50 3.14 1.01 -1.26 -5.05 120.40 120.23 1sa4 s VAL 64 Ca 0.57 -1.01 -0.23 0.00 0.00 0.00 0.00 61.98 61.31 1sa4 s VAL 64 Cb -0.43 -1.58 -0.06 0.00 0.00 0.00 0.00 36.38 34.31 1sa4 s VAL 64 CO 0.49 0.53 1.32 -0.76 0.00 0.00 0.00 175.10 176.68 1sa4 s LEU 65 N -0.40 3.95 0.43 3.92 1.43 -1.26 -4.89 118.68 121.86 1sa4 s LEU 65 Ca 0.05 2.68 0.09 0.00 -1.03 0.00 0.00 54.13 55.92 1sa4 s LEU 65 Cb -0.11 -4.19 0.94 0.00 0.03 0.00 0.00 46.19 42.86 1sa4 s LEU 65 CO 0.01 -1.32 2.06 1.88 0.23 0.00 0.00 176.35 179.20 1sa4 h TYR 66 N 1.79 0.44 0.00 0.29 -1.99 -1.96 0.05 116.97 115.60 1sa4 h TYR 66 Ca -0.50 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.24 1sa4 h TYR 66 Cb 1.28 -0.15 0.00 0.00 2.00 0.00 0.00 36.73 39.86 1sa4 h TYR 66 CO 0.49 0.27 0.00 2.89 -0.00 0.00 0.00 178.16 181.80 1sa4 n ARG 67 N -4.48 0.01 0.00 4.88 1.85 -1.26 -1.97 116.66 115.69 1sa4 n ARG 67 Ca 0.04 0.33 0.07 0.00 -1.00 0.00 0.00 57.85 57.29 1sa4 n ARG 67 Cb 0.12 -1.53 0.05 0.00 -1.05 0.00 0.00 32.46 30.06 1sa4 n ARG 67 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1sa4 n ASP 68 N -1.55 2.08 -4.68 2.89 8.00 -0.01 -4.97 116.55 118.31 1sa4 n ASP 68 Ca 0.02 -1.54 -0.40 0.00 0.71 0.00 0.00 54.79 53.58 1sa4 n ASP 68 Cb 0.12 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.17 1sa4 n ASP 68 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1sa4 s ARG 69 N -1.08 4.29 0.36 -1.24 0.52 -0.83 -4.96 118.95 116.01 1sa4 s ARG 69 Ca 0.15 0.71 0.06 0.00 -0.52 0.00 0.00 55.73 56.13 1sa4 s ARG 69 Cb 0.11 -3.53 0.70 0.00 0.52 0.00 0.00 34.95 32.75 1sa4 s ARG 69 CO 0.16 -0.14 1.94 0.00 0.02 0.00 0.00 175.30 177.28 1sa4 h ALA 70 N 7.21 1.49 0.00 2.13 0.00 -1.93 -1.41 119.26 126.75 1sa4 h ALA 70 Ca -0.34 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1sa4 h ALA 70 Cb 1.16 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1sa4 h ALA 70 CO 0.77 0.38 0.00 -0.85 0.00 0.00 0.00 179.25 179.55 1sa4 n GLU 71 N -4.34 0.25 -0.02 0.00 0.00 -1.26 -2.14 120.64 113.12 1sa4 n GLU 71 Ca 0.02 0.12 0.02 0.00 0.00 0.00 0.00 57.16 57.32 1sa4 n GLU 71 Cb 0.19 -1.50 0.03 0.00 0.00 0.00 0.00 31.44 30.16 1sa4 n GLU 71 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.13 178.04 1sa4 n TRP 72 N -1.28 0.06 0.23 -1.84 7.02 -0.56 -4.73 117.44 116.35 1sa4 n TRP 72 Ca 0.08 -0.17 0.07 0.00 -1.02 0.00 0.00 57.50 56.45 1sa4 n TRP 72 Cb 0.13 -0.01 0.58 0.00 -2.42 0.00 0.00 31.31 29.59 1sa4 n TRP 72 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1sa4 h ALA 73 N 0.78 1.89 0.00 6.99 0.00 -1.16 -2.84 119.26 124.92 1sa4 h ALA 73 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1sa4 h ALA 73 Cb 0.31 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1sa4 h ALA 73 CO 0.00 0.09 0.00 -0.40 0.00 0.00 0.00 179.25 178.94 1sa4 n ASP 74 N -4.47 0.62 -4.36 0.00 5.68 -1.26 -4.73 116.55 108.03 1sa4 n ASP 74 Ca -0.02 0.63 -0.33 0.00 -0.50 0.00 0.00 54.79 54.57 1sa4 n ASP 74 Cb 0.13 -0.77 -0.15 0.00 -1.14 0.00 0.00 41.12 39.20 1sa4 n ASP 74 CO 0.00 0.00 0.00 -0.51 -1.33 0.00 0.00 177.20 175.36 1sa4 s ILE 75 N -3.24 2.78 0.01 2.12 2.07 -1.07 -5.11 121.20 118.76 1sa4 s ILE 75 Ca 0.06 -0.78 -0.26 0.00 -1.41 0.00 0.00 60.65 58.26 1sa4 s ILE 75 Cb 0.10 -2.12 -0.04 0.00 0.13 0.00 0.00 42.46 40.53 1sa4 s ILE 75 CO 0.43 0.55 0.79 -1.81 -1.91 0.00 0.00 174.94 172.99 1sa4 s ASP 76 N 0.00 7.18 0.62 4.50 1.01 -1.26 -5.03 116.67 123.69 1sa4 s ASP 76 Ca -0.05 1.42 -0.17 0.00 0.71 0.00 0.00 52.55 54.46 1sa4 s ASP 76 Cb -0.15 -2.47 -0.02 0.00 1.01 0.00 0.00 42.92 41.29 1sa4 s ASP 76 CO 0.04 -0.08 1.16 -2.16 0.21 0.00 0.00 175.17 174.35 1sa4 s PRO 77 N 0.41 2.88 -0.33 8.23 0.04 -1.26 -4.77 135.00 140.20 1sa4 s PRO 77 Ca 0.41 1.65 -0.01 0.00 0.04 0.00 0.00 61.00 63.09 1sa4 s PRO 77 Cb -0.20 -1.94 0.07 0.00 0.04 0.00 0.00 34.50 32.47 1sa4 s PRO 77 CO 0.23 -1.23 0.05 0.08 0.04 0.00 0.00 177.00 176.17 1sa4 s VAL 78 N -1.90 2.96 0.71 -0.36 1.01 0.37 -4.96 120.40 118.24 1sa4 s VAL 78 Ca 0.73 -1.66 -0.14 0.00 0.00 0.00 0.00 61.98 60.90 1sa4 s VAL 78 Cb -0.26 -2.84 0.03 0.00 0.00 0.00 0.00 36.38 33.31 1sa4 s VAL 78 CO 0.36 -0.30 1.14 -2.16 0.00 0.00 0.00 175.10 174.14 1sa4 s PRO 79 N 1.18 2.41 -0.09 2.72 0.04 -1.26 -4.47 135.00 135.52 1sa4 s PRO 79 Ca -0.00 1.50 -0.28 0.00 0.04 0.00 0.00 61.00 62.26 1sa4 s PRO 79 Cb -0.20 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.43 1sa4 s PRO 79 CO -0.03 -1.58 0.93 -1.14 0.04 0.00 0.00 177.00 175.23 1sa4 s GLN 80 N -4.14 4.43 -0.54 4.56 0.74 -1.26 -5.01 119.66 118.44 1sa4 s GLN 80 Ca 0.69 1.27 -0.20 0.00 0.05 0.00 0.00 55.36 57.17 1sa4 s GLN 80 Cb -0.23 -3.52 0.07 0.00 1.10 0.00 0.00 33.01 30.43 1sa4 s GLN 80 CO 0.45 -0.22 0.68 1.21 -0.55 0.00 0.00 175.29 176.86 1sa4 s ASN 81 N 1.06 6.22 0.00 6.67 2.47 -1.26 -4.87 114.94 125.22 1sa4 s ASN 81 Ca 0.46 -1.00 0.20 0.00 0.42 0.00 0.00 52.86 52.94 1sa4 s ASN 81 Cb -0.18 -2.31 0.54 0.00 -1.45 0.00 0.00 41.25 37.85 1sa4 s ASN 81 CO 0.19 -0.99 1.46 0.47 -3.72 0.00 0.00 177.10 174.51 1sa4 n ASP 82 N 6.36 3.27 0.00 -4.21 8.00 -1.26 -5.07 116.55 123.64 1sa4 n ASP 82 Ca -0.07 -1.98 0.00 0.00 0.71 0.00 0.00 54.79 53.46 1sa4 n ASP 82 Cb 0.45 -0.36 0.00 0.00 -0.02 0.00 0.00 41.12 41.18 1sa4 n ASP 82 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sa4 n GLY 83 N 1.48 -1.26 0.32 0.44 0.00 -1.26 -4.05 105.19 100.86 1sa4 n GLY 83 Ca 0.20 -1.60 -0.05 0.00 0.00 0.00 0.00 46.02 44.57 1sa4 n GLY 83 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sa4 h PRO 84 N 0.00 1.01 -2.53 1.61 0.13 -2.03 -3.34 132.00 126.85 1sa4 h PRO 84 Ca 0.00 -0.22 -0.60 0.00 -0.87 0.00 0.00 66.00 64.31 1sa4 h PRO 84 Cb 0.00 -0.15 -0.42 0.00 0.13 0.00 0.00 31.00 30.57 1sa4 h PRO 84 CO 0.00 0.88 -0.64 0.09 -0.23 0.00 0.00 178.00 178.10 1sa4 n ASN 85 N -4.26 2.99 -4.62 1.44 4.13 -1.26 -5.10 115.26 108.58 1sa4 n ASN 85 Ca 0.05 -3.24 -0.36 0.00 1.68 0.00 0.00 54.58 52.71 1sa4 n ASN 85 Cb 0.23 -0.70 0.08 0.00 -1.54 0.00 0.00 39.78 37.86 1sa4 n ASN 85 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1sa4 n PRO 86 N 1.42 0.61 -4.31 3.52 -0.04 -1.26 -5.07 135.00 129.89 1sa4 n PRO 86 Ca 0.25 0.26 -0.17 0.00 -0.04 0.00 0.00 63.50 63.81 1sa4 n PRO 86 Cb 0.40 -2.22 -0.10 0.00 -0.04 0.00 0.00 33.50 31.54 1sa4 n PRO 86 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1sa4 s VAL 87 N -1.73 1.53 -1.56 0.52 -7.23 -1.26 -4.76 120.40 105.90 1sa4 s VAL 87 Ca 0.74 -2.12 -0.15 0.00 -1.81 0.00 0.00 61.98 58.64 1sa4 s VAL 87 Cb -0.36 -1.94 0.15 0.00 0.56 0.00 0.00 36.38 34.79 1sa4 s VAL 87 CO 0.49 -0.63 0.37 1.33 -0.31 0.00 0.00 175.10 176.35 1sa4 n VAL 88 N -0.24 -0.25 -2.63 1.32 0.24 -1.26 -4.82 118.33 110.69 1sa4 n VAL 88 Ca -0.09 -0.13 -0.43 0.00 -2.04 0.00 0.00 64.34 61.65 1sa4 n VAL 88 Cb 0.60 -0.56 -0.02 0.00 -1.47 0.00 0.00 33.84 32.39 1sa4 n VAL 88 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1sa4 s GLN 89 N -6.56 4.27 -0.19 7.34 0.74 -1.26 -5.01 119.66 118.98 1sa4 s GLN 89 Ca 0.52 1.41 -0.21 0.00 0.05 0.00 0.00 55.36 57.13 1sa4 s GLN 89 Cb -0.30 -3.65 -0.03 0.00 1.10 0.00 0.00 33.01 30.13 1sa4 s GLN 89 CO 0.89 -0.62 0.64 0.42 -0.55 0.00 0.00 175.29 176.07 1sa4 s ILE 90 N 3.16 5.02 -1.13 -2.34 1.01 -1.26 -4.98 121.20 120.67 1sa4 s ILE 90 Ca 0.46 1.22 -0.20 0.00 0.00 0.00 0.00 60.65 62.13 1sa4 s ILE 90 Cb -0.16 -3.96 0.08 0.00 0.01 0.00 0.00 42.46 38.43 1sa4 s ILE 90 CO 0.08 0.12 1.51 -0.63 0.00 0.00 0.00 174.94 176.02 1sa4 s ILE 91 N 1.83 4.22 0.65 2.92 -1.09 -1.26 -4.98 121.20 123.49 1sa4 s ILE 91 Ca 0.30 -1.50 -0.18 0.00 -2.23 0.00 0.00 60.65 57.04 1sa4 s ILE 91 Cb -0.16 -5.06 -0.01 0.00 -1.58 0.00 0.00 42.46 35.66 1sa4 s ILE 91 CO 0.11 -1.88 1.26 -0.31 -1.23 0.00 0.00 174.94 172.89 1sa4 s TYR 92 N 4.02 2.15 0.86 3.97 1.51 -1.26 -5.01 117.35 123.58 1sa4 s TYR 92 Ca 0.47 1.51 -0.11 0.00 -1.01 0.00 0.00 57.07 57.92 1sa4 s TYR 92 Cb 0.00 -3.61 0.11 0.00 -0.11 0.00 0.00 41.96 38.35 1sa4 s TYR 92 CO -0.02 -2.70 1.09 -1.54 -1.11 0.00 0.00 175.55 171.27 1sa4 s SER 93 N -1.55 3.84 0.20 2.29 1.04 -1.26 -4.83 113.70 113.43 1sa4 s SER 93 Ca 0.80 1.43 -0.09 0.00 0.48 0.00 0.00 55.95 58.57 1sa4 s SER 93 Cb -0.34 -2.12 0.14 0.00 0.10 0.00 0.00 66.02 63.79 1sa4 s SER 93 CO 0.39 -2.40 1.78 -0.78 0.98 0.00 0.00 173.24 173.21 1sa4 h ASP 94 N -1.38 1.01 -0.61 7.02 3.58 -2.00 -2.33 116.42 121.72 1sa4 h ASP 94 Ca -0.48 -0.16 -0.10 0.00 0.42 0.00 0.00 57.03 56.71 1sa4 h ASP 94 Cb 1.28 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 42.04 1sa4 h ASP 94 CO 0.56 0.89 0.01 0.11 -2.88 0.00 0.00 179.24 177.93 1sa4 h LYS 95 N 1.07 1.07 0.26 0.28 1.57 -1.99 -0.94 116.57 117.89 1sa4 h LYS 95 Ca 0.25 -0.34 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1sa4 h LYS 95 Cb 0.17 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1sa4 h LYS 95 CO -0.03 1.04 -0.13 0.35 -0.57 0.00 0.00 179.45 180.12 1sa4 h PHE 96 N 0.97 -0.33 -0.74 -1.35 3.57 -1.89 -2.31 116.94 114.87 1sa4 h PHE 96 Ca 0.17 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.67 1sa4 h PHE 96 Cb 0.55 0.11 -0.04 0.00 2.79 0.00 0.00 35.95 39.36 1sa4 h PHE 96 CO 0.04 -0.10 0.49 -0.09 -2.23 0.00 0.00 178.31 176.41 1sa4 h ARG 97 N -0.50 0.98 -0.13 1.11 2.43 -1.41 -2.13 114.38 114.74 1sa4 h ARG 97 Ca -0.04 -0.06 0.04 0.00 -0.81 0.00 0.00 59.98 59.11 1sa4 h ARG 97 Cb 0.37 -0.22 -0.04 0.00 -0.42 0.00 0.00 29.97 29.66 1sa4 h ARG 97 CO 0.06 0.65 -0.13 0.22 -1.51 0.00 0.00 179.97 179.26 1sa4 h ASP 98 N 1.01 -0.41 -0.50 -3.80 3.58 -1.07 0.17 116.42 115.39 1sa4 h ASP 98 Ca 0.27 0.08 -0.02 0.00 0.42 0.00 0.00 57.03 57.78 1sa4 h ASP 98 Cb -0.11 0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.12 1sa4 h ASP 98 CO -0.06 -0.17 0.24 0.58 -2.88 0.00 0.00 179.24 176.95 1sa4 h VAL 99 N -0.16 1.19 0.00 2.25 2.07 -1.18 -2.91 116.25 117.51 1sa4 h VAL 99 Ca 0.09 -0.54 -0.08 0.00 0.82 0.00 0.00 66.70 66.99 1sa4 h VAL 99 Cb 0.29 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1sa4 h VAL 99 CO -0.23 0.21 -0.38 1.88 0.02 0.00 0.00 177.57 179.08 1sa4 h TYR 100 N 0.67 0.00 -0.32 1.57 -1.99 -1.07 -0.28 116.97 115.54 1sa4 h TYR 100 Ca 0.17 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.81 1sa4 h TYR 100 Cb 0.11 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.83 1sa4 h TYR 100 CO -0.01 0.38 -0.19 -0.44 -0.00 0.00 0.00 178.16 177.90 1sa4 h ASP 101 N 0.00 0.59 0.80 3.88 3.45 -0.52 -0.41 116.42 124.20 1sa4 h ASP 101 Ca -0.00 -0.18 -0.24 0.00 0.43 0.00 0.00 57.03 57.03 1sa4 h ASP 101 Cb 0.96 -0.16 -0.02 0.00 -0.56 0.00 0.00 39.33 39.54 1sa4 h ASP 101 CO 0.05 0.78 -1.21 1.88 -1.57 0.00 0.00 179.24 179.18 1sa4 h TYR 102 N 0.53 0.14 -0.30 4.55 -1.99 -1.31 0.11 116.97 118.70 1sa4 h TYR 102 Ca 0.08 -0.10 -0.01 0.00 2.00 0.00 0.00 58.73 60.70 1sa4 h TYR 102 Cb 0.62 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 39.33 1sa4 h TYR 102 CO 0.02 1.10 0.14 0.35 -0.00 0.00 0.00 178.16 179.77 1sa4 h PHE 103 N 0.02 0.45 -0.39 4.88 3.57 -0.81 -1.27 116.94 123.39 1sa4 h PHE 103 Ca -0.10 -0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.42 1sa4 h PHE 103 Cb 1.87 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 40.45 1sa4 h PHE 103 CO 0.02 0.42 0.26 0.00 -2.23 0.00 0.00 178.31 176.78 1sa4 h ARG 104 N 0.35 0.31 -0.06 1.11 3.08 -1.13 -0.26 114.38 117.79 1sa4 h ARG 104 Ca 0.10 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 1sa4 h ARG 104 Cb 0.15 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 1sa4 h ARG 104 CO -0.01 0.21 -0.04 0.00 -1.07 0.00 0.00 179.97 179.06 1sa4 h ALA 105 N 1.79 0.08 -0.32 0.04 0.00 -1.12 -1.19 119.26 118.53 1sa4 h ALA 105 Ca 0.17 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 1sa4 h ALA 105 Cb 0.26 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1sa4 h ALA 105 CO -0.04 -0.15 -0.22 -0.39 0.00 0.00 0.00 179.25 178.45 1sa4 h VAL 106 N -0.29 1.27 -0.40 0.00 -1.51 -0.82 -1.77 116.25 112.73 1sa4 h VAL 106 Ca 0.01 -1.28 -0.06 0.00 -1.23 0.00 0.00 66.70 64.15 1sa4 h VAL 106 Cb 0.51 1.26 -0.02 0.00 -2.13 0.00 0.00 31.29 30.92 1sa4 h VAL 106 CO 0.01 0.42 0.03 0.25 -1.23 0.00 0.00 177.57 177.05 1sa4 h LEU 107 N 0.54 0.67 -1.15 4.19 5.85 -1.06 0.33 115.31 124.68 1sa4 h LEU 107 Ca 0.08 -0.29 -0.06 0.00 0.84 0.00 0.00 57.88 58.46 1sa4 h LEU 107 Cb 0.68 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 1sa4 h LEU 107 CO 0.05 0.79 -0.01 -0.61 -0.34 0.00 0.00 178.44 178.32 1sa4 h GLN 108 N 0.53 0.58 -0.03 1.25 4.15 -1.02 -2.08 115.11 118.48 1sa4 h GLN 108 Ca 0.12 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1sa4 h GLN 108 Cb 0.43 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.04 1sa4 h GLN 108 CO 0.01 0.61 0.00 0.54 -1.93 0.00 0.00 178.83 178.06 1sa4 n ARG 109 N -4.26 1.92 -4.12 1.69 1.74 -0.68 -4.95 116.66 108.00 1sa4 n ARG 109 Ca 0.02 -1.34 -0.28 0.00 -0.77 0.00 0.00 57.85 55.47 1sa4 n ARG 109 Cb 0.26 -1.47 -0.05 0.00 -1.02 0.00 0.00 32.46 30.18 1sa4 n ARG 109 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1sa4 n ASP 110 N 0.63 -0.03 -4.61 0.55 2.03 0.10 -4.86 116.55 110.36 1sa4 n ASP 110 Ca 0.17 -1.12 -0.43 0.00 0.52 0.00 0.00 54.79 53.94 1sa4 n ASP 110 Cb 0.45 -2.45 -0.02 0.00 -0.72 0.00 0.00 41.12 38.37 1sa4 n ASP 110 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1sa4 s GLU 111 N -6.91 3.76 -1.13 -0.67 2.12 -0.50 -4.96 118.70 110.41 1sa4 s GLU 111 Ca 0.06 0.67 -0.14 0.00 0.36 0.00 0.00 54.97 55.93 1sa4 s GLU 111 Cb -0.04 -3.90 0.19 0.00 0.26 0.00 0.00 34.13 30.65 1sa4 s GLU 111 CO 0.94 -1.34 1.30 1.03 -0.54 0.00 0.00 175.26 176.65 1sa4 s ARG 112 N 4.40 4.02 0.29 4.30 1.81 -1.26 -4.82 118.95 127.69 1sa4 s ARG 112 Ca 0.49 -2.58 0.03 0.00 -1.72 0.00 0.00 55.73 51.96 1sa4 s ARG 112 Cb -0.08 -4.92 -0.06 0.00 -0.45 0.00 0.00 34.95 29.44 1sa4 s ARG 112 CO 0.30 -1.65 0.05 -1.54 -0.68 0.00 0.00 175.30 171.78 1sa4 s SER 113 N 2.63 2.05 0.21 0.23 1.04 -1.26 -4.92 113.70 113.67 1sa4 s SER 113 Ca 0.38 -1.34 -0.03 0.00 0.48 0.00 0.00 55.95 55.44 1sa4 s SER 113 Cb -0.05 -0.02 0.16 0.00 0.10 0.00 0.00 66.02 66.21 1sa4 s SER 113 CO -0.03 -0.60 1.56 -0.08 0.98 0.00 0.00 173.24 175.07 1sa4 h GLU 114 N 2.25 0.62 -0.39 4.02 4.57 -1.99 -1.56 114.58 122.10 1sa4 h GLU 114 Ca -0.40 -0.33 -0.11 0.00 -1.18 0.00 0.00 59.36 57.34 1sa4 h GLU 114 Cb 1.24 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.83 1sa4 h GLU 114 CO 0.67 0.93 -0.22 0.07 -1.18 0.00 0.00 179.01 179.28 1sa4 h ARG 115 N 0.51 0.78 -0.61 1.92 0.11 -1.97 -1.20 114.38 113.91 1sa4 h ARG 115 Ca 0.04 -0.31 -0.09 0.00 0.10 0.00 0.00 59.98 59.72 1sa4 h ARG 115 Cb 0.94 -0.04 -0.02 0.00 1.11 0.00 0.00 29.97 31.96 1sa4 h ARG 115 CO 0.08 0.92 0.04 0.00 0.10 0.00 0.00 179.97 181.12 1sa4 h ALA 116 N 1.08 0.82 -0.29 0.08 0.00 -1.84 -1.60 119.26 117.51 1sa4 h ALA 116 Ca 0.10 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.72 1sa4 h ALA 116 Cb 0.73 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1sa4 h ALA 116 CO 0.06 0.64 0.17 0.35 0.00 0.00 0.00 179.25 180.47 1sa4 h PHE 117 N 0.97 0.32 -0.22 0.00 3.57 -0.87 -1.78 116.94 118.92 1sa4 h PHE 117 Ca 0.18 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.63 1sa4 h PHE 117 Cb 0.52 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 1sa4 h PHE 117 CO 0.04 0.19 -0.13 0.87 -2.23 0.00 0.00 178.31 177.05 1sa4 h LYS 118 N 0.35 0.36 -0.67 1.11 1.57 -1.07 -2.77 116.57 115.45 1sa4 h LYS 118 Ca 0.11 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 1sa4 h LYS 118 Cb -0.00 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 1sa4 h LYS 118 CO -0.05 0.49 0.26 1.25 -0.57 0.00 0.00 179.45 180.83 1sa4 h LEU 119 N 0.34 0.93 -1.82 2.94 5.85 -0.60 -2.48 115.31 120.46 1sa4 h LEU 119 Ca 0.07 -0.17 0.06 0.00 0.84 0.00 0.00 57.88 58.67 1sa4 h LEU 119 Cb 0.43 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 1sa4 h LEU 119 CO 0.02 0.85 0.24 0.71 -0.34 0.00 0.00 178.44 179.92 1sa4 h THR 120 N 0.95 0.94 -0.87 1.05 1.35 -1.05 -0.56 112.91 114.73 1sa4 h THR 120 Ca 0.22 -0.08 -0.02 0.00 -0.55 0.00 0.00 66.41 65.99 1sa4 h THR 120 Cb 0.22 0.70 -0.04 0.00 -1.73 0.00 0.00 68.15 67.30 1sa4 h THR 120 CO -0.02 0.04 0.46 -0.09 -0.25 0.00 0.00 175.52 175.66 1sa4 h ARG 121 N 0.22 1.22 -0.14 4.72 2.43 -1.46 0.81 114.38 122.18 1sa4 h ARG 121 Ca 0.15 -0.15 -0.20 0.00 -0.81 0.00 0.00 59.98 58.96 1sa4 h ARG 121 Cb 0.33 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1sa4 h ARG 121 CO -0.03 0.91 -0.73 -0.44 -1.51 0.00 0.00 179.97 178.17 1sa4 h ASP 122 N 1.22 0.78 -0.86 -3.80 3.32 -1.16 -2.15 116.42 113.77 1sa4 h ASP 122 Ca 0.30 -0.50 -0.03 0.00 0.02 0.00 0.00 57.03 56.83 1sa4 h ASP 122 Cb 0.06 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.34 1sa4 h ASP 122 CO -0.05 1.27 0.43 0.00 -1.72 0.00 0.00 179.24 179.18 1sa4 h ALA 123 N 0.72 1.14 -0.47 3.45 0.00 -0.85 -1.83 119.26 121.42 1sa4 h ALA 123 Ca -0.04 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 1sa4 h ALA 123 Cb 1.34 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1sa4 h ALA 123 CO 0.14 0.66 -0.01 0.82 0.00 0.00 0.00 179.25 180.86 1sa4 h ILE 124 N 1.22 1.26 -0.46 0.00 2.04 -0.78 -1.72 117.51 119.08 1sa4 h ILE 124 Ca 0.30 -1.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.05 1sa4 h ILE 124 Cb 0.09 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 1sa4 h ILE 124 CO -0.04 0.38 0.20 -0.08 0.00 0.00 0.00 178.15 178.60 1sa4 h GLU 125 N 0.69 0.65 -0.08 2.37 4.81 -1.02 0.05 114.58 122.05 1sa4 h GLU 125 Ca 0.13 -0.08 -0.15 0.00 -0.13 0.00 0.00 59.36 59.13 1sa4 h GLU 125 Cb 0.53 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 1sa4 h GLU 125 CO 0.03 0.52 -0.60 -0.07 -0.73 0.00 0.00 179.01 178.16 1sa4 h LEU 126 N 0.65 0.32 -5.96 1.64 3.38 -1.05 -3.41 115.31 110.87 1sa4 h LEU 126 Ca 0.16 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1sa4 h LEU 126 Cb 0.11 -0.09 -0.19 0.00 0.09 0.00 0.00 40.66 40.57 1sa4 h LEU 126 CO -0.02 0.84 -0.40 0.21 0.09 0.00 0.00 178.44 179.16 1sa4 s ASN 127 N -6.90 -1.48 0.00 -0.43 2.47 -0.67 -5.01 114.94 102.91 1sa4 s ASN 127 Ca -0.04 -0.48 0.11 0.00 0.42 0.00 0.00 52.86 52.87 1sa4 s ASN 127 Cb 0.12 1.89 0.49 0.00 -1.45 0.00 0.00 41.25 42.30 1sa4 s ASN 127 CO 0.80 -0.19 1.33 0.00 -3.72 0.00 0.00 177.10 175.32 1sa4 n ALA 128 N 4.65 1.54 1.16 1.71 0.00 -0.05 -2.17 120.51 127.36 1sa4 n ALA 128 Ca 0.09 -0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.60 1sa4 n ALA 128 Cb 0.57 -1.18 0.37 0.00 0.00 0.00 0.00 19.45 19.21 1sa4 n ALA 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sa4 n ALA 129 N -1.45 2.51 -2.65 0.00 0.00 -1.26 -4.71 120.51 112.95 1sa4 n ALA 129 Ca 0.03 -0.57 -0.42 0.00 0.00 0.00 0.00 53.44 52.48 1sa4 n ALA 129 Cb 0.12 -1.06 -0.03 0.00 0.00 0.00 0.00 19.45 18.48 1sa4 n ALA 129 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1sa4 s ASN 130 N -1.66 6.35 0.53 0.00 3.84 -0.92 -4.84 114.94 118.25 1sa4 s ASN 130 Ca 0.34 -1.13 0.27 0.00 0.21 0.00 0.00 52.86 52.55 1sa4 s ASN 130 Cb 0.19 -2.52 1.51 0.00 -0.55 0.00 0.00 41.25 39.88 1sa4 s ASN 130 CO 0.28 -1.55 2.12 0.10 -2.79 0.00 0.00 177.10 175.26 1sa4 h TYR 131 N 9.71 0.00 -0.45 0.43 -0.00 -1.90 -2.39 116.97 122.37 1sa4 h TYR 131 Ca -0.04 0.00 -0.09 0.00 0.00 0.00 0.00 58.73 58.61 1sa4 h TYR 131 Cb 1.03 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.75 1sa4 h TYR 131 CO 1.17 0.09 -0.05 1.15 -0.00 0.00 0.00 178.16 180.52 1sa4 h THR 132 N 0.00 1.27 -0.16 -0.90 2.02 -2.00 -0.70 112.91 112.45 1sa4 h THR 132 Ca -0.00 -1.13 -0.01 0.00 0.77 0.00 0.00 66.41 66.03 1sa4 h THR 132 Cb 0.24 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 1sa4 h THR 132 CO 0.01 0.39 0.06 0.58 0.37 0.00 0.00 175.52 176.93 1sa4 h VAL 133 N 0.67 1.17 -0.74 3.16 2.07 -1.85 -1.89 116.25 118.85 1sa4 h VAL 133 Ca 0.12 -0.52 0.08 0.00 0.82 0.00 0.00 66.70 67.21 1sa4 h VAL 133 Cb 0.57 1.22 -0.07 0.00 -1.52 0.00 0.00 31.29 31.50 1sa4 h VAL 133 CO 0.03 0.16 0.40 -0.50 0.02 0.00 0.00 177.57 177.68 1sa4 h TRP 134 N 0.08 0.72 -0.20 1.57 4.06 -1.36 0.50 115.95 121.33 1sa4 h TRP 134 Ca 0.05 0.03 -0.00 0.00 2.06 0.00 0.00 58.89 61.03 1sa4 h TRP 134 Cb 0.20 -0.21 -0.01 0.00 -1.00 0.00 0.00 29.16 28.14 1sa4 h TRP 134 CO -0.01 0.30 0.11 1.25 -3.56 0.00 0.00 178.44 176.54 1sa4 h HIS 135 N 0.69 0.26 -0.93 0.49 2.76 -0.93 -2.01 115.15 115.49 1sa4 h HIS 135 Ca 0.35 -0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.52 1sa4 h HIS 135 Cb 0.31 -0.09 -0.05 0.00 1.55 0.00 0.00 27.41 29.14 1sa4 h HIS 135 CO -0.08 0.22 0.58 0.35 -1.30 0.00 0.00 177.93 177.69 1sa4 h PHE 136 N 0.23 1.20 -0.84 5.26 3.57 -0.68 -1.47 116.94 124.22 1sa4 h PHE 136 Ca 0.07 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.60 1sa4 h PHE 136 Cb 0.04 -0.40 -0.05 0.00 2.79 0.00 0.00 35.95 38.33 1sa4 h PHE 136 CO -0.05 0.79 0.54 -0.09 -2.23 0.00 0.00 178.31 177.27 1sa4 h ARG 137 N 1.27 1.04 -0.38 1.11 2.43 -0.54 -0.31 114.38 119.00 1sa4 h ARG 137 Ca 0.33 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.36 1sa4 h ARG 137 Cb -0.08 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.21 1sa4 h ARG 137 CO -0.07 0.69 -0.10 0.00 -1.51 0.00 0.00 179.97 178.99 1sa4 h ARG 138 N 1.07 0.66 -0.80 0.20 3.08 -0.75 0.13 114.38 117.97 1sa4 h ARG 138 Ca 0.32 -0.20 -0.04 0.00 0.07 0.00 0.00 59.98 60.13 1sa4 h ARG 138 Cb -0.04 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 29.91 1sa4 h ARG 138 CO -0.10 0.75 0.34 0.28 -1.07 0.00 0.00 179.97 180.17 1sa4 h VAL 139 N 0.61 1.26 -0.31 2.04 2.07 -0.25 -2.72 116.25 118.95 1sa4 h VAL 139 Ca 0.11 -0.79 -0.17 0.00 0.82 0.00 0.00 66.70 66.67 1sa4 h VAL 139 Cb 0.53 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1sa4 h VAL 139 CO 0.03 0.33 -0.49 -0.07 0.02 0.00 0.00 177.57 177.39 1sa4 h LEU 140 N 1.16 0.96 -0.97 2.57 3.38 -0.48 -1.39 115.31 120.54 1sa4 h LEU 140 Ca 0.27 -0.52 0.14 0.00 0.09 0.00 0.00 57.88 57.87 1sa4 h LEU 140 Cb 0.19 -0.27 -0.09 0.00 0.09 0.00 0.00 40.66 40.57 1sa4 h LEU 140 CO -0.03 1.29 0.58 -0.07 0.09 0.00 0.00 178.44 180.31 1sa4 h LEU 141 N 0.66 0.81 0.00 1.67 3.38 -0.52 0.17 115.31 121.47 1sa4 h LEU 141 Ca 0.03 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1sa4 h LEU 141 Cb 1.09 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1sa4 h LEU 141 CO 0.11 0.38 -0.00 0.50 0.09 0.00 0.00 178.44 179.52 1sa4 h LYS 142 N 0.85 -0.00 -0.98 1.13 3.64 -1.41 -0.84 116.57 118.96 1sa4 h LYS 142 Ca 0.51 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.95 1sa4 h LYS 142 Cb 0.63 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.38 1sa4 h LYS 142 CO -0.31 0.86 0.63 0.77 -2.27 0.00 0.00 179.45 179.13 1sa4 h SER 143 N -0.88 1.00 0.02 4.20 0.02 -0.92 -1.77 113.55 115.23 1sa4 h SER 143 Ca -0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1sa4 h SER 143 Cb 0.87 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.20 1sa4 h SER 143 CO 0.00 0.64 -0.06 0.18 -1.14 0.00 0.00 176.83 176.46 1sa4 n LEU 144 N -4.50 1.76 -3.82 5.07 4.77 0.55 -4.96 117.00 115.88 1sa4 n LEU 144 Ca 0.15 -0.58 -0.23 0.00 -0.03 0.00 0.00 56.01 55.32 1sa4 n LEU 144 Cb 0.19 -0.02 0.01 0.00 -2.33 0.00 0.00 43.42 41.27 1sa4 n LEU 144 CO 0.32 0.30 -0.13 0.00 -1.33 0.00 0.00 177.39 176.55 1sa4 n GLN 145 N 0.29 -4.27 -1.98 3.23 6.02 -0.67 -4.92 117.38 115.08 1sa4 n GLN 145 Ca 0.17 0.53 -0.34 0.00 -0.01 0.00 0.00 57.00 57.34 1sa4 n GLN 145 Cb 0.41 -4.93 0.03 0.00 1.02 0.00 0.00 30.24 26.77 1sa4 n GLN 145 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1sa4 s LYS 146 N -6.24 3.02 -0.28 -1.09 -0.14 -0.37 -4.93 119.74 109.71 1sa4 s LYS 146 Ca 0.04 1.56 -0.29 0.00 -1.36 0.00 0.00 55.97 55.92 1sa4 s LYS 146 Cb -0.02 -1.96 -0.02 0.00 -1.68 0.00 0.00 37.83 34.15 1sa4 s LYS 146 CO 0.84 -1.11 1.68 0.34 -0.76 0.00 0.00 175.35 176.35 1sa4 s ASP 147 N -2.08 6.17 0.45 2.83 -1.08 -1.26 -4.88 116.67 116.83 1sa4 s ASP 147 Ca 0.71 1.45 0.20 0.00 -0.52 0.00 0.00 52.55 54.39 1sa4 s ASP 147 Cb -0.24 -2.53 1.07 0.00 -1.46 0.00 0.00 42.92 39.76 1sa4 s ASP 147 CO 0.34 -1.46 1.94 -0.07 0.52 0.00 0.00 175.17 176.45 1sa4 h LEU 148 N 12.54 0.00 -0.91 -1.34 3.38 -1.96 -1.99 115.31 125.03 1sa4 h LEU 148 Ca -0.33 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.52 1sa4 h LEU 148 Cb 1.16 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 1sa4 h LEU 148 CO 1.02 0.23 -0.53 0.45 0.09 0.00 0.00 178.44 179.70 1sa4 h HIS 149 N 0.00 0.06 -0.26 1.13 3.86 -1.99 0.58 115.15 118.53 1sa4 h HIS 149 Ca -0.00 -0.02 -0.12 0.00 -1.16 0.00 0.00 60.37 59.07 1sa4 h HIS 149 Cb 0.51 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 28.97 1sa4 h HIS 149 CO 0.00 0.56 -0.30 1.49 0.86 0.00 0.00 177.93 180.54 1sa4 h GLU 150 N 0.04 0.66 -0.18 2.45 4.57 -1.78 -2.57 114.58 117.77 1sa4 h GLU 150 Ca -0.00 -0.36 -0.05 0.00 -1.18 0.00 0.00 59.36 57.76 1sa4 h GLU 150 Cb 0.94 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.54 1sa4 h GLU 150 CO 0.07 0.97 -0.11 1.49 -1.18 0.00 0.00 179.01 180.26 1sa4 h GLU 151 N 0.38 0.29 -0.72 1.92 4.57 -1.00 -2.12 114.58 117.90 1sa4 h GLU 151 Ca 0.04 -0.06 -0.06 0.00 -1.18 0.00 0.00 59.36 58.10 1sa4 h GLU 151 Cb 0.87 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.39 1sa4 h GLU 151 CO 0.07 0.40 0.23 0.52 -1.18 0.00 0.00 179.01 179.06 1sa4 h MET 152 N 0.27 1.11 -0.34 1.92 2.86 -0.62 -0.24 114.93 119.90 1sa4 h MET 152 Ca 0.06 -0.23 -0.08 0.00 -2.06 0.00 0.00 59.70 57.39 1sa4 h MET 152 Cb 0.36 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 1sa4 h MET 152 CO 0.02 0.94 -0.12 -0.91 1.06 0.00 0.00 176.91 177.90 1sa4 h ASN 153 N 1.07 0.57 0.11 1.22 2.35 -1.00 -1.55 115.58 118.35 1sa4 h ASN 153 Ca 0.24 -0.16 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 1sa4 h ASN 153 Cb 0.29 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.51 1sa4 h ASN 153 CO -0.01 0.72 -0.05 0.22 -1.65 0.00 0.00 177.43 176.66 1sa4 h TYR 154 N 0.54 -0.14 -0.06 1.19 3.20 -0.91 -2.87 116.97 117.92 1sa4 h TYR 154 Ca 0.10 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.94 1sa4 h TYR 154 Cb 0.53 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.84 1sa4 h TYR 154 CO 0.02 0.19 -0.09 0.97 -1.64 0.00 0.00 178.16 177.61 1sa4 h ILE 155 N -0.48 1.10 -0.36 1.81 6.09 -0.93 -1.54 117.51 123.21 1sa4 h ILE 155 Ca -0.02 -0.45 -0.01 0.00 -1.37 0.00 0.00 64.86 63.02 1sa4 h ILE 155 Cb 0.39 1.16 -0.02 0.00 0.47 0.00 0.00 36.82 38.82 1sa4 h ILE 155 CO 0.03 0.13 0.17 0.74 -3.07 0.00 0.00 178.15 176.15 1sa4 h THR 156 N 0.08 1.16 -0.49 2.19 2.02 -1.22 -0.34 112.91 116.31 1sa4 h THR 156 Ca 0.02 -0.46 -0.10 0.00 0.77 0.00 0.00 66.41 66.63 1sa4 h THR 156 Cb 0.21 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 1sa4 h THR 156 CO 0.01 0.17 -0.09 0.00 0.37 0.00 0.00 175.52 175.99 1sa4 h ALA 157 N 1.03 0.67 -0.19 6.16 0.00 -1.17 -2.37 119.26 123.39 1sa4 h ALA 157 Ca 0.12 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1sa4 h ALA 157 Cb 0.12 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1sa4 h ALA 157 CO -0.02 0.56 0.10 0.82 0.00 0.00 0.00 179.25 180.71 1sa4 h ILE 158 N 0.78 1.12 -0.61 0.00 1.08 -1.05 -2.42 117.51 116.41 1sa4 h ILE 158 Ca 0.13 -0.32 -0.04 0.00 -0.39 0.00 0.00 64.86 64.23 1sa4 h ILE 158 Cb 0.64 0.99 -0.03 0.00 -3.07 0.00 0.00 36.82 35.35 1sa4 h ILE 158 CO 0.04 0.11 0.20 0.40 -0.69 0.00 0.00 178.15 178.21 1sa4 h ILE 159 N 0.19 1.23 -0.79 -0.67 2.04 -1.06 0.56 117.51 119.00 1sa4 h ILE 159 Ca 0.07 -0.78 0.04 0.00 1.00 0.00 0.00 64.86 65.19 1sa4 h ILE 159 Cb 0.09 0.55 -0.05 0.00 -0.74 0.00 0.00 36.82 36.68 1sa4 h ILE 159 CO -0.01 0.30 0.52 -0.33 0.00 0.00 0.00 178.15 178.63 1sa4 h GLU 160 N 0.89 0.94 0.12 2.37 4.39 -1.18 -0.09 114.58 122.01 1sa4 h GLU 160 Ca 0.20 -0.06 -0.30 0.00 0.34 0.00 0.00 59.36 59.54 1sa4 h GLU 160 Cb 0.24 -0.21 0.03 0.00 -0.10 0.00 0.00 28.75 28.71 1sa4 h GLU 160 CO -0.01 0.62 -1.25 0.93 -1.16 0.00 0.00 179.01 178.14 1sa4 h GLU 161 N 0.96 0.63 -2.29 2.33 5.08 -0.87 -3.40 114.58 117.02 1sa4 h GLU 161 Ca 0.32 -0.84 -0.59 0.00 -1.00 0.00 0.00 59.36 57.26 1sa4 h GLU 161 Cb 0.06 0.28 -0.40 0.00 0.50 0.00 0.00 28.75 29.19 1sa4 h GLU 161 CO -0.10 1.38 -0.88 1.04 -1.00 0.00 0.00 179.01 179.45 1sa4 n GLN 162 N -3.79 1.15 0.14 2.33 6.02 0.12 -4.96 117.38 118.39 1sa4 n GLN 162 Ca -0.14 -3.72 0.12 0.00 -0.01 0.00 0.00 57.00 53.25 1sa4 n GLN 162 Cb 0.99 -1.72 0.50 0.00 1.02 0.00 0.00 30.24 31.03 1sa4 n GLN 162 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1sa4 h PRO 163 N 4.65 0.00 -2.38 -1.09 0.13 -1.24 -3.33 132.00 128.74 1sa4 h PRO 163 Ca 0.16 0.00 -0.74 0.00 -0.87 0.00 0.00 66.00 64.55 1sa4 h PRO 163 Cb 0.82 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 31.63 1sa4 h PRO 163 CO 0.56 0.00 0.44 1.63 -0.23 0.00 0.00 178.00 180.40 1sa4 n LYS 164 N -2.32 4.47 -3.76 0.86 5.02 -1.26 -4.80 118.16 116.37 1sa4 n LYS 164 Ca 0.02 -4.70 -0.13 0.00 -2.02 0.00 0.00 58.31 51.49 1sa4 n LYS 164 Cb 0.25 -2.40 -0.14 0.00 -0.02 0.00 0.00 35.03 32.72 1sa4 n LYS 164 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1sa4 s ASN 165 N -2.05 -0.16 0.09 4.39 3.84 -1.25 -5.07 114.94 114.73 1sa4 s ASN 165 Ca 0.40 0.37 -0.17 0.00 0.21 0.00 0.00 52.86 53.66 1sa4 s ASN 165 Cb 0.18 0.28 -0.08 0.00 -0.55 0.00 0.00 41.25 41.08 1sa4 s ASN 165 CO -0.07 -0.13 1.47 1.88 -2.79 0.00 0.00 177.10 177.45 1sa4 h TYR 166 N 6.94 0.64 -0.82 0.43 -1.99 -1.93 -3.30 116.97 116.94 1sa4 h TYR 166 Ca -0.39 -0.15 0.01 0.00 2.00 0.00 0.00 58.73 60.20 1sa4 h TYR 166 Cb 1.16 -0.15 -0.04 0.00 2.00 0.00 0.00 36.73 39.70 1sa4 h TYR 166 CO 0.41 0.79 0.53 1.96 -0.00 0.00 0.00 178.16 181.85 1sa4 h GLN 167 N 0.31 1.08 -0.54 4.88 7.50 -1.94 -2.10 115.11 124.30 1sa4 h GLN 167 Ca 0.07 -0.07 -0.08 0.00 0.50 0.00 0.00 58.65 59.06 1sa4 h GLN 167 Cb 0.61 -0.24 -0.02 0.00 0.05 0.00 0.00 27.48 27.88 1sa4 h GLN 167 CO 0.04 0.73 0.01 -0.39 -1.50 0.00 0.00 178.83 177.71 1sa4 h VAL 168 N 1.11 1.25 -0.20 -0.54 -1.51 -1.84 -0.76 116.25 113.76 1sa4 h VAL 168 Ca 0.30 -1.06 -0.18 0.00 -1.23 0.00 0.00 66.70 64.53 1sa4 h VAL 168 Cb -0.11 0.83 -0.00 0.00 -2.13 0.00 0.00 31.29 29.88 1sa4 h VAL 168 CO -0.06 0.38 -0.61 -0.50 -1.23 0.00 0.00 177.57 175.54 1sa4 h TRP 169 N 0.84 0.88 -0.66 5.19 4.06 -1.61 -2.44 115.95 122.22 1sa4 h TRP 169 Ca 0.16 -0.34 -0.08 0.00 2.06 0.00 0.00 58.89 60.69 1sa4 h TRP 169 Cb 0.48 -0.16 -0.03 0.00 -1.00 0.00 0.00 29.16 28.46 1sa4 h TRP 169 CO 0.03 1.12 0.10 1.25 -3.56 0.00 0.00 178.44 177.38 1sa4 h HIS 170 N 0.51 1.17 -0.49 0.49 2.76 -1.17 -1.32 115.15 117.10 1sa4 h HIS 170 Ca -0.01 -0.16 0.00 0.00 -2.20 0.00 0.00 60.37 58.00 1sa4 h HIS 170 Cb 1.20 -0.32 -0.02 0.00 1.55 0.00 0.00 27.41 29.81 1sa4 h HIS 170 CO 0.06 0.98 0.32 1.25 -1.30 0.00 0.00 177.93 179.24 1sa4 h HIS 171 N 1.03 0.63 -0.83 5.26 6.17 -1.07 -0.88 115.15 125.46 1sa4 h HIS 171 Ca 0.20 0.01 -0.04 0.00 0.71 0.00 0.00 60.37 61.25 1sa4 h HIS 171 Cb 0.45 -0.21 -0.04 0.00 2.52 0.00 0.00 27.41 30.13 1sa4 h HIS 171 CO 0.03 0.41 0.37 -0.09 0.71 0.00 0.00 177.93 179.37 1sa4 h ARG 172 N 0.67 1.22 -0.62 5.26 2.43 -1.13 -1.69 114.38 120.52 1sa4 h ARG 172 Ca 0.18 -0.20 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 1sa4 h ARG 172 Cb -0.05 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.26 1sa4 h ARG 172 CO -0.04 0.95 0.25 -0.09 -1.51 0.00 0.00 179.97 179.54 1sa4 h ARG 173 N 1.20 0.92 -0.74 0.20 2.43 -0.75 -1.40 114.38 116.24 1sa4 h ARG 173 Ca 0.28 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1sa4 h ARG 173 Cb 0.16 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.52 1sa4 h ARG 173 CO -0.03 0.77 0.47 0.28 -1.51 0.00 0.00 179.97 179.95 1sa4 h VAL 174 N 0.86 1.20 -0.39 0.20 2.07 -0.76 -0.28 116.25 119.16 1sa4 h VAL 174 Ca 0.21 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 1sa4 h VAL 174 Cb 0.19 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 1sa4 h VAL 174 CO -0.02 0.20 0.21 -0.07 0.02 0.00 0.00 177.57 177.92 1sa4 h LEU 175 N 1.01 0.48 -1.11 2.57 3.38 -0.95 0.86 115.31 121.55 1sa4 h LEU 175 Ca 0.27 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 1sa4 h LEU 175 Cb -0.07 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1sa4 h LEU 175 CO -0.05 0.43 0.05 0.58 0.09 0.00 0.00 178.44 179.54 1sa4 h VAL 176 N 0.50 1.21 -0.43 1.22 2.07 -0.94 -0.29 116.25 119.59 1sa4 h VAL 176 Ca 0.14 -0.82 -0.09 0.00 0.82 0.00 0.00 66.70 66.75 1sa4 h VAL 176 Cb 0.05 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1sa4 h VAL 176 CO -0.02 0.29 -0.08 -0.33 0.02 0.00 0.00 177.57 177.45 1sa4 h GLU 177 N 0.65 0.82 -0.59 1.57 5.08 -0.53 0.57 114.58 122.14 1sa4 h GLU 177 Ca 0.14 -0.30 -0.10 0.00 -1.00 0.00 0.00 59.36 58.10 1sa4 h GLU 177 Cb 0.33 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1sa4 h GLU 177 CO 0.01 0.92 -0.01 -1.49 -1.00 0.00 0.00 179.01 177.44 1sa4 h TRP 178 N 0.64 1.14 0.00 4.33 6.55 -0.37 -3.10 115.95 125.13 1sa4 h TRP 178 Ca 0.11 -0.20 -0.12 0.00 0.95 0.00 0.00 58.89 59.63 1sa4 h TRP 178 Cb 0.61 -0.30 -0.02 0.00 -0.86 0.00 0.00 29.16 28.59 1sa4 h TRP 178 CO 0.05 1.01 -0.83 -0.07 -1.05 0.00 0.00 178.44 177.55 1sa4 h LEU 179 N 0.95 0.00 2.09 -4.49 3.38 -0.99 -3.47 115.31 112.78 1sa4 h LEU 179 Ca 0.17 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.74 1sa4 h LEU 179 Cb 0.56 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.32 1sa4 h LEU 179 CO 0.03 0.50 -0.55 0.54 0.09 0.00 0.00 178.44 179.05 1sa4 n ARG 180 N -3.09 -2.94 -3.90 1.13 5.12 0.20 -4.96 116.66 108.22 1sa4 n ARG 180 Ca -0.02 0.94 -0.30 0.00 -1.93 0.00 0.00 57.85 56.54 1sa4 n ARG 180 Cb 0.76 -5.65 -0.15 0.00 -1.16 0.00 0.00 32.46 26.26 1sa4 n ARG 180 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1sa4 s ASP 181 N -2.35 4.28 0.00 0.55 2.15 -1.15 -4.97 116.67 115.18 1sa4 s ASP 181 Ca 0.12 -1.72 0.23 0.00 0.43 0.00 0.00 52.55 51.61 1sa4 s ASP 181 Cb -0.05 -1.25 0.62 0.00 -0.30 0.00 0.00 42.92 41.94 1sa4 s ASP 181 CO 0.15 -0.35 1.53 -0.81 -0.17 0.00 0.00 175.17 175.51 1sa4 n PRO 182 N 4.57 2.68 0.04 4.34 -0.04 -1.26 -4.64 135.00 140.68 1sa4 n PRO 182 Ca -0.02 -2.60 0.22 0.00 -0.04 0.00 0.00 63.50 61.05 1sa4 n PRO 182 Cb 0.43 -1.56 0.73 0.00 -0.04 0.00 0.00 33.50 33.05 1sa4 n PRO 182 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1sa4 h SER 183 N 4.31 0.00 0.00 3.54 4.64 -2.00 -2.07 113.55 121.98 1sa4 h SER 183 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1sa4 h SER 183 Cb 0.98 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 1sa4 h SER 183 CO 0.00 0.00 -1.58 0.00 -0.87 0.00 0.00 176.83 174.38 1sa4 n GLN 184 N -3.91 0.38 0.14 4.77 6.02 -1.26 -4.75 117.38 118.78 1sa4 n GLN 184 Ca 0.09 -0.12 -0.14 0.00 -0.01 0.00 0.00 57.00 56.82 1sa4 n GLN 184 Cb 0.67 -1.51 -0.08 0.00 1.02 0.00 0.00 30.24 30.33 1sa4 n GLN 184 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1sa4 h GLU 185 N 0.00 -0.68 -0.87 -1.09 4.39 -1.70 -1.61 114.58 113.01 1sa4 h GLU 185 Ca 0.00 0.05 0.09 0.00 0.34 0.00 0.00 59.36 59.84 1sa4 h GLU 185 Cb 0.79 0.16 -0.06 0.00 -0.10 0.00 0.00 28.75 29.53 1sa4 h GLU 185 CO 0.00 -0.46 0.57 -0.07 -1.16 0.00 0.00 179.01 177.89 1sa4 h LEU 186 N -0.71 0.79 -0.15 1.33 3.38 -1.86 0.42 115.31 118.53 1sa4 h LEU 186 Ca -0.02 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 1sa4 h LEU 186 Cb 0.68 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1sa4 h LEU 186 CO -0.18 0.48 -0.38 -0.08 0.09 0.00 0.00 178.44 178.37 1sa4 h GLU 187 N 0.88 0.51 -0.22 1.13 4.81 -1.86 -1.81 114.58 118.02 1sa4 h GLU 187 Ca 0.40 -0.36 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1sa4 h GLU 187 Cb 0.37 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1sa4 h GLU 187 CO -0.16 0.97 0.12 0.35 -0.73 0.00 0.00 179.01 179.56 1sa4 h PHE 188 N 0.14 0.31 -0.66 0.92 3.57 -0.78 -2.25 116.94 118.18 1sa4 h PHE 188 Ca -0.01 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.49 1sa4 h PHE 188 Cb 0.99 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.60 1sa4 h PHE 188 CO 0.10 0.28 0.43 0.82 -2.23 0.00 0.00 178.31 177.72 1sa4 h ILE 189 N 0.24 1.17 -0.70 1.41 2.04 -0.97 -1.57 117.51 119.13 1sa4 h ILE 189 Ca 0.08 -0.32 0.11 0.00 1.00 0.00 0.00 64.86 65.73 1sa4 h ILE 189 Cb 0.08 0.21 -0.05 0.00 -0.74 0.00 0.00 36.82 36.32 1sa4 h ILE 189 CO -0.01 0.17 0.47 0.00 0.00 0.00 0.00 178.15 178.77 1sa4 h ALA 190 N 1.24 1.94 -0.31 1.87 0.00 -1.06 0.13 119.26 123.08 1sa4 h ALA 190 Ca 0.24 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.98 1sa4 h ALA 190 Cb -0.10 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1sa4 h ALA 190 CO -0.05 -0.10 -0.44 0.22 0.00 0.00 0.00 179.25 178.88 1sa4 h ASP 191 N 0.53 0.92 -0.33 0.00 3.58 -0.71 -0.65 116.42 119.75 1sa4 h ASP 191 Ca 0.33 -0.51 -0.03 0.00 0.42 0.00 0.00 57.03 57.25 1sa4 h ASP 191 Cb 0.57 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.35 1sa4 h ASP 191 CO -0.11 1.25 0.10 0.40 -2.88 0.00 0.00 179.24 178.00 1sa4 h ILE 192 N 0.62 1.21 0.00 2.25 1.08 -0.61 -2.52 117.51 119.54 1sa4 h ILE 192 Ca 0.03 -0.68 -0.02 0.00 -0.39 0.00 0.00 64.86 63.80 1sa4 h ILE 192 Cb 1.04 1.03 -0.00 0.00 -3.07 0.00 0.00 36.82 35.81 1sa4 h ILE 192 CO 0.10 0.23 -0.12 -0.07 -0.69 0.00 0.00 178.15 177.61 1sa4 h LEU 193 N 0.38 0.00 -1.42 1.44 3.38 -0.73 -0.83 115.31 117.53 1sa4 h LEU 193 Ca 0.11 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 1sa4 h LEU 193 Cb 0.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1sa4 h LEU 193 CO -0.00 0.12 -0.18 -1.13 0.09 0.00 0.00 178.44 177.33 1sa4 h ASN 194 N 0.00 0.00 0.31 -0.43 -1.24 -0.66 -1.12 115.58 112.44 1sa4 h ASN 194 Ca -0.00 0.00 -0.33 0.00 0.71 0.00 0.00 56.30 56.68 1sa4 h ASN 194 Cb 0.40 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.41 1sa4 h ASN 194 CO 0.02 0.18 -1.90 0.00 -1.29 0.00 0.00 177.43 174.44 1sa4 n GLN 195 N -3.45 0.68 -3.38 6.67 6.02 -0.40 -4.76 117.38 118.76 1sa4 n GLN 195 Ca -0.01 0.25 -0.16 0.00 -0.01 0.00 0.00 57.00 57.07 1sa4 n GLN 195 Cb 0.36 -1.73 -0.09 0.00 1.02 0.00 0.00 30.24 29.80 1sa4 n GLN 195 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1sa4 s ASP 196 N -6.33 1.40 0.00 1.08 3.68 -0.70 -5.03 116.67 110.77 1sa4 s ASP 196 Ca -0.12 -1.00 0.08 0.00 2.13 0.00 0.00 52.55 53.64 1sa4 s ASP 196 Cb 0.07 0.58 0.41 0.00 -1.45 0.00 0.00 42.92 42.53 1sa4 s ASP 196 CO 0.80 -0.34 1.05 0.00 0.13 0.00 0.00 175.17 176.80 1sa4 n ALA 197 N 4.96 1.61 -0.08 3.66 0.00 -0.44 -2.57 120.51 127.65 1sa4 n ALA 197 Ca 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1sa4 n ALA 197 Cb 0.46 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.79 1sa4 n ALA 197 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1sa4 n LYS 198 N -1.19 2.12 -1.50 0.00 5.02 -1.26 -4.83 118.16 116.50 1sa4 n LYS 198 Ca 0.04 -1.25 -0.52 0.00 -2.02 0.00 0.00 58.31 54.56 1sa4 n LYS 198 Cb 0.05 -0.96 -0.07 0.00 -0.02 0.00 0.00 35.03 34.03 1sa4 n LYS 198 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1sa4 n ASN 199 N -0.38 2.26 -0.12 4.39 2.85 -1.06 -4.83 115.26 118.37 1sa4 n ASN 199 Ca 0.00 0.58 -0.07 0.00 -0.11 0.00 0.00 54.58 54.98 1sa4 n ASN 199 Cb 0.23 -1.24 0.01 0.00 1.24 0.00 0.00 39.78 40.02 1sa4 n ASN 199 CO 0.00 0.00 0.00 0.22 -2.11 0.00 0.00 177.26 175.37 1sa4 h TYR 200 N 11.15 0.35 -0.85 1.20 3.20 -1.94 -2.18 116.97 127.90 1sa4 h TYR 200 Ca -0.32 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.55 1sa4 h TYR 200 Cb 1.32 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 39.45 1sa4 h TYR 200 CO 0.92 0.19 0.45 0.45 -1.64 0.00 0.00 178.16 178.53 1sa4 h HIS 201 N 0.39 1.19 -0.14 -3.82 3.86 -1.88 -1.13 115.15 113.62 1sa4 h HIS 201 Ca 0.16 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.33 1sa4 h HIS 201 Cb 0.07 -0.38 -0.01 0.00 1.06 0.00 0.00 27.41 28.16 1sa4 h HIS 201 CO -0.10 0.83 0.07 0.00 0.86 0.00 0.00 177.93 179.59 1sa4 h ALA 202 N 1.29 0.18 -0.63 2.45 0.00 -1.79 -0.55 119.26 120.22 1sa4 h ALA 202 Ca 0.30 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 1sa4 h ALA 202 Cb 0.05 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1sa4 h ALA 202 CO -0.05 -0.26 0.14 -1.49 0.00 0.00 0.00 179.25 177.60 1sa4 h TRP 203 N 0.10 1.04 -0.52 0.00 4.06 -1.20 -0.73 115.95 118.69 1sa4 h TRP 203 Ca 0.05 -0.12 -0.06 0.00 2.06 0.00 0.00 58.89 60.82 1sa4 h TRP 203 Cb 0.12 -0.30 -0.02 0.00 -1.00 0.00 0.00 29.16 27.97 1sa4 h TRP 203 CO -0.03 0.86 0.08 0.37 -3.56 0.00 0.00 178.44 176.16 1sa4 h GLN 204 N 0.95 0.86 -0.47 0.49 4.15 -1.01 -1.07 115.11 119.00 1sa4 h GLN 204 Ca 0.20 -0.23 -0.08 0.00 0.77 0.00 0.00 58.65 59.31 1sa4 h GLN 204 Cb 0.35 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.93 1sa4 h GLN 204 CO 0.00 0.85 -0.03 1.25 -1.93 0.00 0.00 178.83 178.97 1sa4 h HIS 205 N 0.74 0.86 -0.41 3.99 2.76 -0.89 -2.20 115.15 120.00 1sa4 h HIS 205 Ca 0.16 -0.13 -0.03 0.00 -2.20 0.00 0.00 60.37 58.16 1sa4 h HIS 205 Cb 0.41 -0.23 -0.02 0.00 1.55 0.00 0.00 27.41 29.12 1sa4 h HIS 205 CO 0.03 0.81 0.14 -0.09 -1.30 0.00 0.00 177.93 177.52 1sa4 h ARG 206 N 0.74 0.64 -0.75 5.26 2.43 -0.73 -1.72 114.38 120.24 1sa4 h ARG 206 Ca 0.14 -0.13 -0.05 0.00 -0.81 0.00 0.00 59.98 59.13 1sa4 h ARG 206 Cb 0.49 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 1sa4 h ARG 206 CO 0.02 0.62 0.27 1.96 -1.51 0.00 0.00 179.97 181.34 1sa4 h GLN 207 N 0.52 1.14 0.24 0.20 4.20 -1.03 -1.58 115.11 118.80 1sa4 h GLN 207 Ca 0.13 -0.22 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 1sa4 h GLN 207 Cb 0.25 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.85 1sa4 h GLN 207 CO -0.01 0.95 -0.11 2.35 -0.67 0.00 0.00 178.83 181.34 1sa4 h TRP 208 N 1.11 -0.30 -0.24 2.96 7.01 -1.14 -1.21 115.95 124.14 1sa4 h TRP 208 Ca 0.25 -0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.27 1sa4 h TRP 208 Cb 0.25 0.10 -0.03 0.00 -2.10 0.00 0.00 29.16 27.38 1sa4 h TRP 208 CO 0.02 -0.15 0.06 0.28 -2.79 0.00 0.00 178.44 175.86 1sa4 h VAL 209 N -0.37 0.90 -0.34 2.65 2.07 -1.19 0.36 116.25 120.33 1sa4 h VAL 209 Ca -0.03 -0.05 0.02 0.00 0.82 0.00 0.00 66.70 67.46 1sa4 h VAL 209 Cb 0.28 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 1sa4 h VAL 209 CO 0.05 0.03 0.18 0.40 0.02 0.00 0.00 177.57 178.25 1sa4 h ILE 210 N 0.16 1.00 -0.18 4.57 2.04 -1.23 0.06 117.51 123.92 1sa4 h ILE 210 Ca 0.11 -0.13 -0.19 0.00 1.00 0.00 0.00 64.86 65.65 1sa4 h ILE 210 Cb 0.10 0.60 0.01 0.00 -0.74 0.00 0.00 36.82 36.78 1sa4 h ILE 210 CO -0.13 0.07 -0.64 -0.61 0.00 0.00 0.00 178.15 176.83 1sa4 h GLN 211 N 0.37 0.76 -0.33 2.37 4.15 -0.97 0.12 115.11 121.57 1sa4 h GLN 211 Ca 0.14 -0.57 -0.13 0.00 0.77 0.00 0.00 58.65 58.87 1sa4 h GLN 211 Cb 0.04 0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 1sa4 h GLN 211 CO -0.09 1.19 -0.31 1.49 -1.93 0.00 0.00 178.83 179.17 1sa4 h GLU 212 N 0.48 0.71 -0.39 1.69 4.57 -0.16 -3.24 114.58 118.24 1sa4 h GLU 212 Ca -0.03 -0.32 0.00 0.00 -1.18 0.00 0.00 59.36 57.83 1sa4 h GLU 212 Cb 1.27 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.84 1sa4 h GLU 212 CO 0.14 0.93 0.00 1.19 -1.18 0.00 0.00 179.01 180.08 1sa4 n PHE 213 N -4.07 0.58 -3.66 0.92 3.01 -0.00 -5.01 117.46 109.23 1sa4 n PHE 213 Ca -0.01 -0.53 -0.27 0.00 1.01 0.00 0.00 57.45 57.65 1sa4 n PHE 213 Cb 0.48 -0.05 0.04 0.00 -0.01 0.00 0.00 39.48 39.93 1sa4 n PHE 213 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1sa4 n LYS 214 N 0.55 -2.25 -2.58 -1.08 5.02 0.24 -4.92 118.16 113.13 1sa4 n LYS 214 Ca 0.14 0.54 -0.36 0.00 -2.02 0.00 0.00 58.31 56.61 1sa4 n LYS 214 Cb 0.50 -4.58 0.01 0.00 -0.02 0.00 0.00 35.03 30.93 1sa4 n LYS 214 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1sa4 n LEU 215 N -4.10 6.36 0.06 -0.35 4.77 -0.19 -4.76 117.00 118.80 1sa4 n LEU 215 Ca -0.15 -5.36 -0.05 0.00 -0.03 0.00 0.00 56.01 50.42 1sa4 n LEU 215 Cb 0.62 -0.92 -0.10 0.00 -2.33 0.00 0.00 43.42 40.69 1sa4 n LEU 215 CO 0.67 2.10 0.03 -0.50 -1.33 0.00 0.00 177.39 178.37 1sa4 h TRP 216 N 3.51 0.00 -0.71 -1.77 4.06 -1.92 -3.41 115.95 115.71 1sa4 h TRP 216 Ca 0.41 0.00 0.18 0.00 2.06 0.00 0.00 58.89 61.54 1sa4 h TRP 216 Cb 0.38 0.00 -0.13 0.00 -1.00 0.00 0.00 29.16 28.40 1sa4 h TRP 216 CO 1.13 0.89 -0.04 -0.25 -3.56 0.00 0.00 178.44 176.61 1sa4 n ASP 217 N -3.24 -0.13 -0.39 -3.49 10.43 -1.26 -2.27 116.55 116.20 1sa4 n ASP 217 Ca -0.04 1.21 0.04 0.00 2.57 0.00 0.00 54.79 58.58 1sa4 n ASP 217 Cb 0.92 -0.42 0.08 0.00 1.84 0.00 0.00 41.12 43.54 1sa4 n ASP 217 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1sa4 n ASN 218 N -5.02 2.22 -0.03 -2.24 3.02 -1.26 -4.72 115.26 107.23 1sa4 n ASN 218 Ca 0.15 -1.71 -0.04 0.00 -0.03 0.00 0.00 54.58 52.96 1sa4 n ASN 218 Cb 0.50 -0.09 0.19 0.00 -0.61 0.00 0.00 39.78 39.76 1sa4 n ASN 218 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1sa4 h GLU 219 N 1.49 0.59 -0.25 3.52 4.57 -1.70 -2.41 114.58 120.38 1sa4 h GLU 219 Ca 0.00 -0.20 -0.06 0.00 -1.18 0.00 0.00 59.36 57.92 1sa4 h GLU 219 Cb 0.52 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.04 1sa4 h GLU 219 CO 0.00 0.73 -0.12 1.25 -1.18 0.00 0.00 179.01 179.68 1sa4 h LEU 220 N 0.53 0.40 -0.54 1.64 5.85 -1.85 0.14 115.31 121.49 1sa4 h LEU 220 Ca 0.09 -0.10 -0.13 0.00 0.84 0.00 0.00 57.88 58.58 1sa4 h LEU 220 Cb 0.59 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 1sa4 h LEU 220 CO 0.04 0.56 -0.27 1.56 -0.34 0.00 0.00 178.44 179.99 1sa4 h GLN 221 N 0.39 0.90 -0.47 1.25 4.20 -1.83 -0.87 115.11 118.68 1sa4 h GLN 221 Ca 0.07 -0.40 -0.04 0.00 0.06 0.00 0.00 58.65 58.34 1sa4 h GLN 221 Cb 0.46 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.19 1sa4 h GLN 221 CO 0.03 1.05 0.13 -0.92 -0.67 0.00 0.00 178.83 178.45 1sa4 h TYR 222 N 0.77 0.76 -0.27 2.96 3.20 -0.85 -1.67 116.97 121.86 1sa4 h TYR 222 Ca 0.09 -0.08 0.02 0.00 3.14 0.00 0.00 58.73 61.90 1sa4 h TYR 222 Cb 0.83 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.85 1sa4 h TYR 222 CO 0.05 0.68 0.12 0.28 -1.64 0.00 0.00 178.16 177.65 1sa4 h VAL 223 N 0.62 0.97 -0.67 1.81 2.07 -0.53 -2.02 116.25 118.50 1sa4 h VAL 223 Ca 0.15 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.58 1sa4 h VAL 223 Cb 0.29 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 1sa4 h VAL 223 CO -0.00 0.05 0.43 0.44 0.02 0.00 0.00 177.57 178.51 1sa4 h ASP 224 N 0.26 0.78 -0.29 0.57 3.32 -0.90 -1.11 116.42 119.04 1sa4 h ASP 224 Ca 0.11 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.09 1sa4 h ASP 224 Cb 0.05 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 1sa4 h ASP 224 CO -0.09 0.57 -0.01 -0.61 -1.72 0.00 0.00 179.24 177.38 1sa4 h GLN 225 N 0.91 0.52 -0.07 3.56 5.75 -0.82 -2.28 115.11 122.67 1sa4 h GLN 225 Ca 0.24 -0.17 -0.09 0.00 -0.15 0.00 0.00 58.65 58.48 1sa4 h GLN 225 Cb -0.09 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.40 1sa4 h GLN 225 CO -0.05 0.68 -0.37 -0.07 -2.65 0.00 0.00 178.83 176.36 1sa4 h LEU 226 N 0.31 0.15 -0.87 -2.39 3.38 -1.00 -2.33 115.31 112.55 1sa4 h LEU 226 Ca 0.08 -0.06 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 1sa4 h LEU 226 Cb 0.45 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1sa4 h LEU 226 CO 0.02 0.52 -0.49 -0.07 0.09 0.00 0.00 178.44 178.50 1sa4 h LEU 227 N 0.13 0.18 -0.71 1.67 3.38 -1.12 -0.37 115.31 118.48 1sa4 h LEU 227 Ca 0.01 -0.09 -0.12 0.00 0.09 0.00 0.00 57.88 57.78 1sa4 h LEU 227 Cb 0.72 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1sa4 h LEU 227 CO 0.05 0.65 -0.26 0.50 0.09 0.00 0.00 178.44 179.47 1sa4 h LYS 228 N 0.14 0.71 -0.12 1.13 3.64 -0.94 -0.44 116.57 120.68 1sa4 h LYS 228 Ca 0.01 -0.30 -0.05 0.00 -1.27 0.00 0.00 60.65 59.04 1sa4 h LYS 228 Cb 0.92 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.71 1sa4 h LYS 228 CO 0.07 0.89 -0.13 0.93 -2.27 0.00 0.00 179.45 178.95 1sa4 h GLU 229 N 0.61 0.30 -2.04 1.90 5.08 -1.06 -3.42 114.58 115.96 1sa4 h GLU 229 Ca 0.08 -0.16 -0.35 0.00 -1.00 0.00 0.00 59.36 57.93 1sa4 h GLU 229 Cb 0.76 0.01 -0.32 0.00 0.50 0.00 0.00 28.75 29.70 1sa4 h GLU 229 CO 0.06 0.71 -0.66 0.34 -1.00 0.00 0.00 179.01 178.46 1sa4 s ASP 230 N -6.07 1.39 0.00 1.42 -1.08 -0.18 -4.99 116.67 107.16 1sa4 s ASP 230 Ca -0.14 -1.17 0.09 0.00 -0.52 0.00 0.00 52.55 50.80 1sa4 s ASP 230 Cb 0.05 0.55 0.39 0.00 -1.46 0.00 0.00 42.92 42.44 1sa4 s ASP 230 CO 0.74 -0.32 1.24 0.55 0.52 0.00 0.00 175.17 177.90 1sa4 n VAL 231 N 4.76 1.25 1.28 1.11 3.14 -0.18 -1.50 118.33 128.18 1sa4 n VAL 231 Ca 0.05 0.31 0.13 0.00 -2.96 0.00 0.00 64.34 61.87 1sa4 n VAL 231 Cb 0.46 -1.17 0.36 0.00 -1.06 0.00 0.00 33.84 32.43 1sa4 n VAL 231 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1sa4 n ARG 232 N -1.44 1.92 -2.17 1.45 1.74 -1.26 -4.78 116.66 112.12 1sa4 n ARG 232 Ca 0.03 -1.34 -0.37 0.00 -0.77 0.00 0.00 57.85 55.40 1sa4 n ARG 232 Cb 0.09 -1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 30.03 1sa4 n ARG 232 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1sa4 s ASN 233 N -1.96 5.50 0.53 0.55 3.84 -0.56 -4.83 114.94 117.99 1sa4 s ASN 233 Ca 0.34 -0.13 0.18 0.00 0.21 0.00 0.00 52.86 53.46 1sa4 s ASN 233 Cb 0.21 -2.54 1.33 0.00 -0.55 0.00 0.00 41.25 39.69 1sa4 s ASN 233 CO 0.32 -2.29 2.16 -1.13 -2.79 0.00 0.00 177.10 173.37 1sa4 h ASN 234 N 12.97 0.00 -0.03 -4.21 -1.24 -1.90 -1.58 115.58 119.60 1sa4 h ASN 234 Ca -0.16 0.00 -0.06 0.00 0.71 0.00 0.00 56.30 56.79 1sa4 h ASN 234 Cb 1.10 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.14 1sa4 h ASN 234 CO 1.24 0.00 -0.13 0.28 -1.29 0.00 0.00 177.43 177.53 1sa4 h SER 235 N 0.00 0.31 0.14 1.15 0.02 -1.90 -1.91 113.55 111.36 1sa4 h SER 235 Ca 0.00 -0.07 -0.22 0.00 -0.84 0.00 0.00 61.79 60.67 1sa4 h SER 235 Cb 0.02 -0.08 0.01 0.00 0.14 0.00 0.00 62.40 62.48 1sa4 h SER 235 CO -0.00 0.47 -0.86 0.58 -1.14 0.00 0.00 176.83 175.89 1sa4 h VAL 236 N 0.30 1.34 -0.24 2.27 2.07 -1.61 -2.01 116.25 118.37 1sa4 h VAL 236 Ca 0.06 -2.21 -0.06 0.00 0.82 0.00 0.00 66.70 65.31 1sa4 h VAL 236 Cb 0.42 2.21 -0.01 0.00 -1.52 0.00 0.00 31.29 32.39 1sa4 h VAL 236 CO 0.02 0.67 -0.11 -0.50 0.02 0.00 0.00 177.57 177.68 1sa4 h TRP 237 N 0.35 0.42 -0.43 1.57 4.06 -1.32 -0.08 115.95 120.52 1sa4 h TRP 237 Ca -0.07 -0.05 -0.10 0.00 2.06 0.00 0.00 58.89 60.73 1sa4 h TRP 237 Cb 1.47 -0.12 -0.01 0.00 -1.00 0.00 0.00 29.16 29.51 1sa4 h TRP 237 CO 0.07 0.50 -0.14 -0.97 -3.56 0.00 0.00 178.44 174.34 1sa4 h ASN 238 N 0.37 0.86 -0.06 -3.49 -1.24 -1.22 -2.54 115.58 108.26 1sa4 h ASN 238 Ca 0.07 -0.38 -0.05 0.00 0.71 0.00 0.00 56.30 56.66 1sa4 h ASN 238 Cb 0.42 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 39.22 1sa4 h ASN 238 CO 0.02 1.04 -0.09 -0.61 -1.29 0.00 0.00 177.43 176.51 1sa4 h GLN 239 N 0.68 0.32 -0.13 6.67 5.75 -0.72 -0.97 115.11 126.72 1sa4 h GLN 239 Ca 0.10 -0.07 -0.00 0.00 -0.15 0.00 0.00 58.65 58.53 1sa4 h GLN 239 Cb 0.69 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.18 1sa4 h GLN 239 CO 0.05 0.43 0.06 -0.09 -2.65 0.00 0.00 178.83 176.63 1sa4 h ARG 240 N 0.31 0.18 -0.80 1.69 2.43 -0.67 0.31 114.38 117.83 1sa4 h ARG 240 Ca 0.06 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.16 1sa4 h ARG 240 Cb 0.35 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.84 1sa4 h ARG 240 CO 0.02 0.22 0.31 -0.92 -1.51 0.00 0.00 179.97 178.09 1sa4 h TYR 241 N 0.09 1.22 -0.13 2.20 3.20 -1.07 -1.81 116.97 120.68 1sa4 h TYR 241 Ca 0.04 -0.09 0.02 0.00 3.14 0.00 0.00 58.73 61.84 1sa4 h TYR 241 Cb 0.10 -0.37 -0.02 0.00 1.54 0.00 0.00 36.73 37.98 1sa4 h TYR 241 CO -0.04 0.93 0.00 0.35 -1.64 0.00 0.00 178.16 177.76 1sa4 h PHE 242 N 1.17 0.00 -0.00 -3.82 3.57 -0.79 -0.63 116.94 116.44 1sa4 h PHE 242 Ca 0.27 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.77 1sa4 h PHE 242 Cb 0.23 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 38.98 1sa4 h PHE 242 CO 0.02 -0.01 0.00 0.28 -2.23 0.00 0.00 178.31 176.37 1sa4 h VAL 243 N 0.05 1.17 -0.15 1.41 2.07 -0.73 -2.86 116.25 117.20 1sa4 h VAL 243 Ca 0.06 -0.49 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 1sa4 h VAL 243 Cb 0.07 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1sa4 h VAL 243 CO -0.10 0.13 0.01 0.40 0.02 0.00 0.00 177.57 178.03 1sa4 h ILE 244 N -0.21 1.24 0.00 4.57 2.04 -1.29 -1.85 117.51 122.01 1sa4 h ILE 244 Ca 0.00 -0.80 -0.01 0.00 1.00 0.00 0.00 64.86 65.05 1sa4 h ILE 244 Cb 0.21 1.48 -0.00 0.00 -0.74 0.00 0.00 36.82 37.77 1sa4 h ILE 244 CO -0.00 0.24 -0.03 0.77 0.00 0.00 0.00 178.15 179.13 1sa4 h SER 245 N 0.01 0.00 0.27 1.72 4.64 -1.19 0.42 113.55 119.42 1sa4 h SER 245 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1sa4 h SER 245 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1sa4 h SER 245 CO 0.01 0.03 -0.67 0.59 -0.87 0.00 0.00 176.83 175.91 1sa4 n ASN 246 N -4.14 0.79 0.00 4.97 4.13 -1.08 -4.23 115.26 115.69 1sa4 n ASN 246 Ca -0.03 -0.63 0.00 0.00 1.68 0.00 0.00 54.58 55.60 1sa4 n ASN 246 Cb 0.12 0.54 0.00 0.00 -1.54 0.00 0.00 39.78 38.89 1sa4 n ASN 246 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1sa4 n THR 247 N -1.38 0.00 0.08 3.41 -2.24 -0.71 -4.89 114.28 108.55 1sa4 n THR 247 Ca 0.06 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.80 1sa4 n THR 247 Cb 0.34 -0.49 -0.07 0.00 -2.10 0.00 0.00 70.33 68.02 1sa4 n THR 247 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1sa4 h THR 248 N 0.00 1.25 0.00 4.28 1.35 -1.75 -3.51 112.91 114.54 1sa4 h THR 248 Ca 0.00 -2.83 0.00 0.00 -0.55 0.00 0.00 66.41 63.03 1sa4 h THR 248 Cb 0.00 2.60 0.00 0.00 -1.73 0.00 0.00 68.15 69.02 1sa4 h THR 248 CO 0.00 0.71 0.00 0.61 -0.25 0.00 0.00 175.52 176.59 1sa4 n GLY 249 N 1.32 -1.38 0.76 5.82 0.00 0.14 -4.63 105.19 107.22 1sa4 n GLY 249 Ca -0.01 -1.58 0.10 0.00 0.00 0.00 0.00 46.02 44.52 1sa4 n GLY 249 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1sa4 n TYR 250 N -1.67 0.00 0.21 1.61 4.02 -1.26 -4.38 117.16 115.69 1sa4 n TYR 250 Ca 0.00 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 57.98 1sa4 n TYR 250 Cb 0.00 0.00 0.42 0.00 -0.02 0.00 0.00 39.34 39.74 1sa4 n TYR 250 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 176.86 174.94 1sa4 h ASN 251 N 3.73 0.00 -2.87 7.72 2.35 -1.99 -3.40 115.58 121.12 1sa4 h ASN 251 Ca 0.00 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.18 1sa4 h ASN 251 Cb 0.81 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.15 1sa4 h ASN 251 CO 0.00 0.27 1.19 -0.62 -1.65 0.00 0.00 177.43 176.62 1sa4 s ASP 252 N -6.27 6.11 0.56 5.81 -1.08 -1.26 -4.86 116.67 115.68 1sa4 s ASP 252 Ca 0.00 1.21 0.25 0.00 -0.52 0.00 0.00 52.55 53.49 1sa4 s ASP 252 Cb 0.10 -2.53 1.53 0.00 -1.46 0.00 0.00 42.92 40.56 1sa4 s ASP 252 CO 0.65 -1.55 2.12 0.03 0.52 0.00 0.00 175.17 176.94 1sa4 h ARG 253 N 11.85 0.00 -0.39 4.34 3.08 -1.97 -0.90 114.38 130.39 1sa4 h ARG 253 Ca -0.32 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.58 1sa4 h ARG 253 Cb 1.15 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.19 1sa4 h ARG 253 CO 1.04 0.00 -0.36 0.00 -1.07 0.00 0.00 179.97 179.58 1sa4 h ALA 254 N 1.86 0.57 -0.28 0.04 0.00 -1.94 -1.29 119.26 118.21 1sa4 h ALA 254 Ca 0.08 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 1sa4 h ALA 254 Cb 0.39 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1sa4 h ALA 254 CO -0.00 0.66 -0.11 0.28 0.00 0.00 0.00 179.25 180.08 1sa4 h VAL 255 N 0.75 1.29 -0.56 0.00 2.07 -1.57 -1.81 116.25 116.42 1sa4 h VAL 255 Ca 0.06 -1.18 -0.00 0.00 0.82 0.00 0.00 66.70 66.41 1sa4 h VAL 255 Cb 0.96 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 32.16 1sa4 h VAL 255 CO 0.09 0.37 0.35 0.25 0.02 0.00 0.00 177.57 178.66 1sa4 h LEU 256 N 0.33 0.66 -0.40 2.57 5.85 -1.24 -0.56 115.31 122.52 1sa4 h LEU 256 Ca 0.07 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.75 1sa4 h LEU 256 Cb 0.61 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 1sa4 h LEU 256 CO 0.04 0.51 0.26 -0.08 -0.34 0.00 0.00 178.44 178.83 1sa4 h GLU 257 N 0.76 0.51 -0.82 1.25 4.57 -1.18 0.69 114.58 120.36 1sa4 h GLU 257 Ca 0.20 -0.03 0.05 0.00 -1.18 0.00 0.00 59.36 58.40 1sa4 h GLU 257 Cb -0.04 -0.12 -0.06 0.00 -0.16 0.00 0.00 28.75 28.38 1sa4 h GLU 257 CO -0.04 0.34 0.51 -0.09 -1.18 0.00 0.00 179.01 178.55 1sa4 h ARG 258 N 0.53 0.92 -0.31 1.92 2.43 -0.85 -0.77 114.38 118.25 1sa4 h ARG 258 Ca 0.15 -0.06 -0.17 0.00 -0.81 0.00 0.00 59.98 59.10 1sa4 h ARG 258 Cb -0.05 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.29 1sa4 h ARG 258 CO -0.04 0.61 -0.47 0.93 -1.51 0.00 0.00 179.97 179.48 1sa4 h GLU 259 N 0.95 0.85 -0.50 0.20 4.39 -0.45 -1.30 114.58 118.71 1sa4 h GLU 259 Ca 0.35 -0.49 -0.08 0.00 0.34 0.00 0.00 59.36 59.47 1sa4 h GLU 259 Cb 0.12 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 1sa4 h GLU 259 CO -0.15 1.13 -0.01 0.28 -1.16 0.00 0.00 179.01 179.09 1sa4 h VAL 260 N 0.67 1.26 -0.42 3.13 2.07 -0.54 -0.80 116.25 121.62 1sa4 h VAL 260 Ca 0.03 -1.10 -0.05 0.00 0.82 0.00 0.00 66.70 66.40 1sa4 h VAL 260 Cb 1.06 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 1sa4 h VAL 260 CO 0.11 0.39 0.07 1.56 0.02 0.00 0.00 177.57 179.71 1sa4 h GLN 261 N 0.75 0.69 0.02 1.57 1.08 -1.11 0.07 115.11 118.18 1sa4 h GLN 261 Ca 0.14 -0.18 0.01 0.00 -1.45 0.00 0.00 58.65 57.16 1sa4 h GLN 261 Cb 0.54 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.88 1sa4 h GLN 261 CO 0.03 0.73 -0.06 -0.92 -0.95 0.00 0.00 178.83 177.66 1sa4 h TYR 262 N 0.55 -0.15 -0.37 2.96 3.20 -1.11 -0.75 116.97 121.30 1sa4 h TYR 262 Ca 0.13 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 1sa4 h TYR 262 Cb 0.37 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.69 1sa4 h TYR 262 CO 0.03 -0.10 0.20 1.15 -1.64 0.00 0.00 178.16 177.80 1sa4 h THR 263 N -0.11 1.15 -0.92 1.81 2.02 -1.03 -1.47 112.91 114.36 1sa4 h THR 263 Ca 0.02 -0.38 0.02 0.00 0.77 0.00 0.00 66.41 66.84 1sa4 h THR 263 Cb 0.14 0.72 -0.05 0.00 -1.74 0.00 0.00 68.15 67.22 1sa4 h THR 263 CO -0.05 0.15 0.61 -0.07 0.37 0.00 0.00 175.52 176.52 1sa4 h LEU 264 N 0.47 1.03 -0.77 2.58 3.38 -0.82 0.09 115.31 121.27 1sa4 h LEU 264 Ca 0.13 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 1sa4 h LEU 264 Cb 0.06 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 1sa4 h LEU 264 CO -0.02 0.73 0.29 -0.08 0.09 0.00 0.00 178.44 179.45 1sa4 h GLU 265 N 1.21 1.17 -0.39 1.13 4.57 -0.67 -0.97 114.58 120.62 1sa4 h GLU 265 Ca 0.35 -0.22 -0.11 0.00 -1.18 0.00 0.00 59.36 58.19 1sa4 h GLU 265 Cb -0.08 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.31 1sa4 h GLU 265 CO -0.09 0.96 -0.21 0.52 -1.18 0.00 0.00 179.01 179.01 1sa4 h MET 266 N 1.13 0.77 -0.78 1.92 2.86 -0.27 -2.35 114.93 118.22 1sa4 h MET 266 Ca 0.25 -0.31 -0.05 0.00 -2.06 0.00 0.00 59.70 57.54 1sa4 h MET 266 Cb 0.24 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.83 1sa4 h MET 266 CO -0.02 0.92 0.29 0.82 1.06 0.00 0.00 176.91 179.98 1sa4 h ILE 267 N 0.68 1.26 -0.55 -1.22 2.04 -0.56 -0.60 117.51 118.56 1sa4 h ILE 267 Ca 0.10 -0.85 -0.06 0.00 1.00 0.00 0.00 64.86 65.05 1sa4 h ILE 267 Cb 0.72 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 1sa4 h ILE 267 CO 0.06 0.34 0.11 0.11 0.00 0.00 0.00 178.15 178.77 1sa4 h LYS 268 N 1.14 0.85 -0.35 2.37 1.57 -0.92 0.46 116.57 121.68 1sa4 h LYS 268 Ca 0.26 -0.18 -0.16 0.00 -1.87 0.00 0.00 60.65 58.69 1sa4 h LYS 268 Cb 0.25 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 1sa4 h LYS 268 CO -0.02 0.78 -0.42 -0.07 -0.57 0.00 0.00 179.45 179.15 1sa4 h LEU 269 N 0.81 0.98 -6.43 2.94 4.07 -0.90 -3.38 115.31 113.41 1sa4 h LEU 269 Ca 0.18 -0.48 -0.59 0.00 0.08 0.00 0.00 57.88 57.06 1sa4 h LEU 269 Cb 0.32 -0.28 -0.39 0.00 1.08 0.00 0.00 40.66 41.40 1sa4 h LEU 269 CO 0.00 1.27 -0.93 0.52 -1.08 0.00 0.00 178.44 178.22 1sa4 n VAL 270 N -4.07 -0.71 -0.27 1.22 0.31 -0.28 -5.01 118.33 109.52 1sa4 n VAL 270 Ca -0.03 -3.71 0.28 0.00 -0.01 0.00 0.00 64.34 60.87 1sa4 n VAL 270 Cb 0.56 -1.76 0.65 0.00 -0.91 0.00 0.00 33.84 32.37 1sa4 n VAL 270 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1sa4 h PRO 271 N 5.42 0.16 -0.63 5.55 0.11 -1.10 -2.00 132.00 139.52 1sa4 h PRO 271 Ca 0.23 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.33 1sa4 h PRO 271 Cb 0.88 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.95 1sa4 h PRO 271 CO 0.44 0.10 0.00 0.72 -0.21 0.00 0.00 178.00 179.05 1sa4 n HIS 272 N -4.37 1.75 -2.89 0.65 8.25 -1.26 -4.86 115.22 112.49 1sa4 n HIS 272 Ca 0.23 -0.64 -0.43 0.00 -0.26 0.00 0.00 57.72 56.62 1sa4 n HIS 272 Cb 1.00 -0.38 -0.05 0.00 1.12 0.00 0.00 29.99 31.69 1sa4 n HIS 272 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1sa4 s ASN 273 N -0.81 6.35 0.36 0.41 2.47 -0.75 -4.92 114.94 118.05 1sa4 s ASN 273 Ca 0.51 -0.32 0.04 0.00 0.42 0.00 0.00 52.86 53.51 1sa4 s ASN 273 Cb 0.36 -2.42 0.69 0.00 -1.45 0.00 0.00 41.25 38.43 1sa4 s ASN 273 CO 0.20 -1.13 1.98 -0.08 -3.72 0.00 0.00 177.10 174.35 1sa4 h GLU 274 N 9.21 0.66 -0.69 0.43 4.81 -1.89 -3.14 114.58 123.97 1sa4 h GLU 274 Ca -0.26 -0.07 0.09 0.00 -0.13 0.00 0.00 59.36 59.00 1sa4 h GLU 274 Cb 1.08 -0.13 -0.07 0.00 0.63 0.00 0.00 28.75 30.25 1sa4 h GLU 274 CO 1.05 0.50 0.33 0.77 -0.73 0.00 0.00 179.01 180.93 1sa4 h SER 275 N 0.67 0.42 -0.52 1.04 0.02 -1.91 -0.25 113.55 113.01 1sa4 h SER 275 Ca 0.17 0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 61.15 1sa4 h SER 275 Cb 0.05 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 1sa4 h SER 275 CO -0.03 0.24 0.20 0.00 -1.14 0.00 0.00 176.83 176.10 1sa4 h ALA 276 N 1.42 0.68 -0.77 3.77 0.00 -1.85 -0.76 119.26 121.76 1sa4 h ALA 276 Ca 0.34 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1sa4 h ALA 276 Cb 0.37 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1sa4 h ALA 276 CO -0.27 0.30 0.38 -1.49 0.00 0.00 0.00 179.25 178.17 1sa4 h TRP 277 N 0.71 1.10 -0.36 0.00 4.06 -1.46 -1.02 115.95 118.98 1sa4 h TRP 277 Ca 0.17 -0.05 -0.09 0.00 2.06 0.00 0.00 58.89 60.98 1sa4 h TRP 277 Cb 0.22 -0.34 -0.02 0.00 -1.00 0.00 0.00 29.16 28.02 1sa4 h TRP 277 CO 0.01 0.80 -0.17 -0.91 -3.56 0.00 0.00 178.44 174.62 1sa4 h ASN 278 N 1.09 0.65 -0.40 -3.49 2.35 -0.77 -2.11 115.58 112.90 1sa4 h ASN 278 Ca 0.27 -0.20 -0.11 0.00 -0.55 0.00 0.00 56.30 55.70 1sa4 h ASN 278 Cb 0.11 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 1sa4 h ASN 278 CO -0.04 0.83 -0.19 0.22 -1.65 0.00 0.00 177.43 176.60 1sa4 h TYR 279 N 0.59 0.96 -0.35 1.19 3.20 -0.79 0.13 116.97 121.90 1sa4 h TYR 279 Ca 0.10 -0.24 0.03 0.00 3.14 0.00 0.00 58.73 61.76 1sa4 h TYR 279 Cb 0.62 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.63 1sa4 h TYR 279 CO 0.03 1.00 0.16 1.25 -1.64 0.00 0.00 178.16 178.95 1sa4 h LEU 280 N 0.64 0.21 -0.61 2.82 5.85 -0.96 -1.53 115.31 121.74 1sa4 h LEU 280 Ca 0.09 0.02 -0.13 0.00 0.84 0.00 0.00 57.88 58.70 1sa4 h LEU 280 Cb 0.75 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 1sa4 h LEU 280 CO 0.06 0.16 -0.32 0.50 -0.34 0.00 0.00 178.44 178.50 1sa4 h LYS 281 N 0.33 0.75 -0.65 1.25 3.64 -1.27 -3.19 116.57 117.43 1sa4 h LYS 281 Ca 0.15 -0.35 0.01 0.00 -1.27 0.00 0.00 60.65 59.19 1sa4 h LYS 281 Cb 0.08 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 1sa4 h LYS 281 CO -0.12 0.97 0.43 0.78 -2.27 0.00 0.00 179.45 179.24 1sa4 h GLY 282 N 0.95 0.90 0.60 5.01 0.00 -0.05 0.23 103.07 110.71 1sa4 h GLY 282 Ca 0.07 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.07 1sa4 h GLY 282 CO 0.07 0.32 -0.20 0.29 0.00 0.00 0.00 176.54 177.02 1sa4 n ILE 283 N -4.44 0.00 0.02 2.60 -5.35 -0.64 -4.14 119.36 107.41 1sa4 n ILE 283 Ca 0.07 -0.09 0.01 0.00 -0.27 0.00 0.00 62.75 62.47 1sa4 n ILE 283 Cb 0.06 0.16 -0.02 0.00 -1.74 0.00 0.00 39.64 38.10 1sa4 n ILE 283 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1sa4 n LEU 284 N -0.84 0.02 -0.20 7.28 4.77 -1.01 -4.80 117.00 122.22 1sa4 n LEU 284 Ca 0.13 -0.09 0.01 0.00 -0.03 0.00 0.00 56.01 56.03 1sa4 n LEU 284 Cb 0.32 0.00 0.26 0.00 -2.33 0.00 0.00 43.42 41.66 1sa4 n LEU 284 CO 0.25 0.00 1.23 0.06 -1.33 0.00 0.00 177.39 177.61 1sa4 h GLN 285 N 0.00 0.96 -0.55 3.23 3.07 -1.12 -1.59 115.11 119.11 1sa4 h GLN 285 Ca 0.00 -0.06 -0.08 0.00 0.09 0.00 0.00 58.65 58.60 1sa4 h GLN 285 Cb 0.10 -0.22 -0.02 0.00 0.08 0.00 0.00 27.48 27.42 1sa4 h GLN 285 CO 0.00 0.64 0.03 -0.44 0.09 0.00 0.00 178.83 179.14 1sa4 h ASP 286 N 0.99 0.89 0.89 0.06 3.32 -1.85 -2.38 116.42 118.34 1sa4 h ASP 286 Ca 0.27 -0.22 -0.18 0.00 0.02 0.00 0.00 57.03 56.92 1sa4 h ASP 286 Cb -0.11 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.17 1sa4 h ASP 286 CO -0.06 0.94 -0.84 0.03 -1.72 0.00 0.00 179.24 177.59 1sa4 h ARG 287 N 0.86 0.00 0.00 3.56 2.47 -1.87 -3.49 114.38 115.91 1sa4 h ARG 287 Ca 0.17 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.89 1sa4 h ARG 287 Cb 0.47 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.79 1sa4 h ARG 287 CO 0.02 0.84 0.00 0.41 0.56 0.00 0.00 179.97 181.80 1sa4 n GLY 288 N 0.95 2.71 0.33 0.04 0.00 -0.61 -4.78 105.19 103.84 1sa4 n GLY 288 Ca -0.00 -1.19 0.15 0.00 0.00 0.00 0.00 46.02 44.98 1sa4 n GLY 288 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1sa4 h LEU 289 N 0.00 0.00 0.00 0.99 3.38 -1.79 -0.79 115.31 117.10 1sa4 h LEU 289 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1sa4 h LEU 289 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1sa4 h LEU 289 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 176.99 1sa4 n SER 290 N -4.27 0.00 -0.15 -0.43 3.41 -1.26 -2.69 113.62 108.24 1sa4 n SER 290 Ca 0.03 0.16 0.15 0.00 -0.26 0.00 0.00 58.87 58.95 1sa4 n SER 290 Cb 0.34 -0.36 0.75 0.00 -0.26 0.00 0.00 64.21 64.68 1sa4 n SER 290 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1sa4 n LYS 291 N -1.36 1.06 -3.50 4.33 4.76 -0.30 -4.24 118.16 118.90 1sa4 n LYS 291 Ca 0.08 -0.30 -0.27 0.00 -2.87 0.00 0.00 58.31 54.96 1sa4 n LYS 291 Cb 0.19 -1.49 -0.09 0.00 -1.84 0.00 0.00 35.03 31.80 1sa4 n LYS 291 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1sa4 n TYR 292 N -0.71 3.25 -0.32 2.13 4.02 -1.09 -4.96 117.16 119.47 1sa4 n TYR 292 Ca 0.20 -4.14 0.18 0.00 -0.01 0.00 0.00 57.90 54.13 1sa4 n TYR 292 Cb 0.22 -0.55 0.43 0.00 -0.02 0.00 0.00 39.34 39.42 1sa4 n TYR 292 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1sa4 h PRO 293 N 4.43 0.53 0.00 -0.72 0.13 -1.83 -1.82 132.00 132.72 1sa4 h PRO 293 Ca 0.18 -0.03 -0.10 0.00 -0.87 0.00 0.00 66.00 65.19 1sa4 h PRO 293 Cb 0.70 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 31.69 1sa4 h PRO 293 CO 0.78 0.35 -0.45 -0.91 -0.23 0.00 0.00 178.00 177.54 1sa4 h ASN 294 N 0.55 0.00 -0.75 1.44 2.35 -1.97 -3.08 115.58 114.11 1sa4 h ASN 294 Ca 0.57 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.31 1sa4 h ASN 294 Cb 1.20 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.54 1sa4 h ASN 294 CO -0.33 0.45 0.42 0.25 -1.65 0.00 0.00 177.43 176.58 1sa4 h LEU 295 N 0.00 0.94 -0.36 1.61 5.85 -1.72 -1.78 115.31 119.84 1sa4 h LEU 295 Ca -0.00 -0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.65 1sa4 h LEU 295 Cb 0.83 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 1sa4 h LEU 295 CO 0.06 0.76 0.18 0.25 -0.34 0.00 0.00 178.44 179.35 1sa4 h LEU 296 N 1.04 0.26 -0.49 2.25 5.85 -1.61 -1.02 115.31 121.59 1sa4 h LEU 296 Ca 0.27 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.98 1sa4 h LEU 296 Cb 0.02 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 1sa4 h LEU 296 CO -0.04 0.19 0.20 0.78 -0.34 0.00 0.00 178.44 179.23 1sa4 h ASN 297 N 0.37 0.68 -0.83 1.25 2.35 -1.53 -0.13 115.58 117.74 1sa4 h ASN 297 Ca 0.15 -0.17 -0.03 0.00 -0.55 0.00 0.00 56.30 55.71 1sa4 h ASN 297 Cb 0.07 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 38.22 1sa4 h ASN 297 CO -0.11 0.67 0.41 1.56 -1.65 0.00 0.00 177.43 178.31 1sa4 h GLN 298 N 0.66 1.19 -0.03 0.81 4.20 -1.01 -0.61 115.11 120.32 1sa4 h GLN 298 Ca 0.16 -0.17 -0.16 0.00 0.06 0.00 0.00 58.65 58.55 1sa4 h GLN 298 Cb 0.20 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 1sa4 h GLN 298 CO -0.01 0.91 -0.70 -0.07 -0.67 0.00 0.00 178.83 178.29 1sa4 h LEU 299 N 1.18 0.17 -1.17 1.46 3.38 -1.02 -2.88 115.31 116.43 1sa4 h LEU 299 Ca 0.29 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 58.06 1sa4 h LEU 299 Cb 0.10 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1sa4 h LEU 299 CO -0.04 0.81 -0.29 -0.07 0.09 0.00 0.00 178.44 178.95 1sa4 h LEU 300 N 0.10 0.21 -0.42 1.67 4.07 -0.42 -1.01 115.31 119.50 1sa4 h LEU 300 Ca -0.02 -0.07 -0.07 0.00 0.08 0.00 0.00 57.88 57.81 1sa4 h LEU 300 Cb 1.24 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.91 1sa4 h LEU 300 CO 0.10 0.50 -0.33 0.44 -1.08 0.00 0.00 178.44 178.07 1sa4 h ASP 301 N 0.19 0.00 0.80 -0.43 3.32 -0.93 -3.22 116.42 116.15 1sa4 h ASP 301 Ca 0.03 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.02 1sa4 h ASP 301 Cb 0.61 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 1sa4 h ASP 301 CO 0.04 0.33 -1.24 0.18 -1.72 0.00 0.00 179.24 176.84 1sa4 n LEU 302 N -3.27 0.76 -0.19 1.55 7.99 -0.98 -4.44 117.00 118.42 1sa4 n LEU 302 Ca 0.02 0.31 -0.06 0.00 -0.01 0.00 0.00 56.01 56.26 1sa4 n LEU 302 Cb 0.59 -0.00 -0.00 0.00 -0.11 0.00 0.00 43.42 43.90 1sa4 n LEU 302 CO 0.37 -0.06 0.62 -0.61 -1.51 0.00 0.00 177.39 176.20 1sa4 h GLN 303 N 0.00 -0.18 -0.82 3.23 4.15 -1.21 0.88 115.11 121.17 1sa4 h GLN 303 Ca -0.06 0.01 0.17 0.00 0.77 0.00 0.00 58.65 59.55 1sa4 h GLN 303 Cb 1.19 0.04 -0.06 0.00 0.21 0.00 0.00 27.48 28.87 1sa4 h GLN 303 CO 0.01 -0.12 0.54 -1.00 -1.93 0.00 0.00 178.83 176.34 1sa4 h PRO 304 N -0.18 0.40 -0.01 -2.39 0.13 -1.78 0.18 132.00 128.35 1sa4 h PRO 304 Ca 0.22 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1sa4 h PRO 304 Cb 0.55 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.59 1sa4 h PRO 304 CO -0.66 0.26 -0.66 -1.13 -0.23 0.00 0.00 178.00 175.58 1sa4 n SER 305 N -4.49 1.21 -2.72 1.44 3.41 -0.49 -4.59 113.62 107.40 1sa4 n SER 305 Ca 0.16 -1.11 -0.06 0.00 -0.26 0.00 0.00 58.87 57.61 1sa4 n SER 305 Cb 0.60 0.79 0.04 0.00 -0.26 0.00 0.00 64.21 65.39 1sa4 n SER 305 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1sa4 n HIS 306 N -0.89 0.87 -0.70 7.33 8.25 0.29 -4.99 115.22 125.38 1sa4 n HIS 306 Ca 0.05 -2.51 -0.19 0.00 -0.26 0.00 0.00 57.72 54.81 1sa4 n HIS 306 Cb 0.32 -0.16 -0.03 0.00 1.12 0.00 0.00 29.99 31.24 1sa4 n HIS 306 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1sa4 n SER 307 N -0.30 4.52 -4.87 0.41 7.64 0.54 -4.65 113.62 116.92 1sa4 n SER 307 Ca 0.07 -2.27 -0.31 0.00 1.01 0.00 0.00 58.87 57.37 1sa4 n SER 307 Cb 0.82 -1.03 -0.00 0.00 -1.01 0.00 0.00 64.21 62.98 1sa4 n SER 307 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1sa4 s SER 308 N 3.24 6.34 0.56 6.43 1.04 -1.26 -4.91 113.70 125.14 1sa4 s SER 308 Ca 0.39 1.43 0.28 0.00 0.48 0.00 0.00 55.95 58.52 1sa4 s SER 308 Cb 0.11 -2.47 1.64 0.00 0.10 0.00 0.00 66.02 65.41 1sa4 s SER 308 CO -0.03 -0.78 2.18 1.55 0.98 0.00 0.00 173.24 177.14 1sa4 h PRO 309 N 0.05 0.00 -0.49 4.02 0.13 -1.90 -2.18 132.00 131.63 1sa4 h PRO 309 Ca -0.45 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.55 1sa4 h PRO 309 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1sa4 h PRO 309 CO 0.62 0.05 -0.21 1.88 -0.23 0.00 0.00 178.00 180.11 1sa4 h TYR 310 N 0.00 1.15 -0.19 1.56 -1.99 -1.92 0.22 116.97 115.79 1sa4 h TYR 310 Ca -0.00 -0.28 -0.16 0.00 2.00 0.00 0.00 58.73 60.30 1sa4 h TYR 310 Cb 0.13 -0.27 0.00 0.00 2.00 0.00 0.00 36.73 38.60 1sa4 h TYR 310 CO 0.00 1.11 -0.49 1.25 -0.00 0.00 0.00 178.16 180.02 1sa4 h LEU 311 N 0.86 0.77 -0.64 3.88 6.46 -1.72 -1.77 115.31 123.15 1sa4 h LEU 311 Ca 0.11 -0.57 -0.03 0.00 -0.12 0.00 0.00 57.88 57.27 1sa4 h LEU 311 Cb 0.79 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 40.47 1sa4 h LEU 311 CO 0.07 1.21 0.28 0.40 -0.62 0.00 0.00 178.44 179.77 1sa4 h ILE 312 N 0.37 1.23 -0.63 4.05 1.08 -1.35 -1.65 117.51 120.62 1sa4 h ILE 312 Ca -0.01 -0.68 -0.08 0.00 -0.39 0.00 0.00 64.86 63.70 1sa4 h ILE 312 Cb 1.11 0.48 -0.03 0.00 -3.07 0.00 0.00 36.82 35.31 1sa4 h ILE 312 CO 0.11 0.27 0.08 0.00 -0.69 0.00 0.00 178.15 177.92 1sa4 h ALA 313 N 1.12 0.95 -0.80 1.87 0.00 -0.94 -2.52 119.26 118.94 1sa4 h ALA 313 Ca 0.22 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1sa4 h ALA 313 Cb 0.16 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1sa4 h ALA 313 CO -0.02 0.65 0.38 0.35 0.00 0.00 0.00 179.25 180.61 1sa4 h PHE 314 N 0.98 1.15 -0.70 0.00 3.57 -0.89 -1.21 116.94 119.83 1sa4 h PHE 314 Ca 0.19 -0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.63 1sa4 h PHE 314 Cb 0.45 -0.36 -0.03 0.00 2.79 0.00 0.00 35.95 38.80 1sa4 h PHE 314 CO 0.03 0.84 0.42 -0.07 -2.23 0.00 0.00 178.31 177.30 1sa4 h LEU 315 N 1.14 0.84 -0.62 0.59 3.38 -0.96 -0.54 115.31 119.15 1sa4 h LEU 315 Ca 0.27 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.15 1sa4 h LEU 315 Cb 0.12 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1sa4 h LEU 315 CO -0.03 0.66 0.25 0.58 0.09 0.00 0.00 178.44 179.98 1sa4 h VAL 316 N 0.96 1.23 -0.88 1.22 2.07 -1.02 -0.26 116.25 119.57 1sa4 h VAL 316 Ca 0.25 -0.73 0.02 0.00 0.82 0.00 0.00 66.70 67.06 1sa4 h VAL 316 Cb -0.03 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 30.24 1sa4 h VAL 316 CO -0.05 0.29 0.58 0.44 0.02 0.00 0.00 177.57 178.85 1sa4 h ASP 317 N 0.87 0.99 -0.09 0.57 3.32 -0.64 0.19 116.42 121.63 1sa4 h ASP 317 Ca 0.21 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 1sa4 h ASP 317 Cb 0.21 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 1sa4 h ASP 317 CO -0.02 0.71 0.03 0.40 -1.72 0.00 0.00 179.24 178.64 1sa4 h ILE 318 N 1.17 1.17 -1.00 0.35 2.04 -0.60 -2.44 117.51 118.20 1sa4 h ILE 318 Ca 0.33 -0.51 0.01 0.00 1.00 0.00 0.00 64.86 65.69 1sa4 h ILE 318 Cb -0.10 1.33 -0.05 0.00 -0.74 0.00 0.00 36.82 37.27 1sa4 h ILE 318 CO -0.08 0.15 0.66 1.88 0.00 0.00 0.00 178.15 180.75 1sa4 h TYR 319 N -0.03 1.25 -0.37 1.37 0.99 -0.57 -0.41 116.97 119.19 1sa4 h TYR 319 Ca 0.03 0.03 0.05 0.00 2.00 0.00 0.00 58.73 60.84 1sa4 h TYR 319 Cb 0.20 -0.42 -0.04 0.00 1.00 0.00 0.00 36.73 37.47 1sa4 h TYR 319 CO -0.01 0.79 0.12 0.93 -0.00 0.00 0.00 178.16 179.99 1sa4 h GLU 320 N 1.35 0.26 -0.51 4.88 5.08 -0.48 -1.16 114.58 123.99 1sa4 h GLU 320 Ca 0.37 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.59 1sa4 h GLU 320 Cb -0.15 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 1sa4 h GLU 320 CO -0.08 0.17 -0.15 0.22 -1.00 0.00 0.00 179.01 178.17 1sa4 h ASP 321 N 0.26 1.02 -0.38 1.42 3.58 -0.93 -2.61 116.42 118.79 1sa4 h ASP 321 Ca 0.17 -0.37 0.03 0.00 0.42 0.00 0.00 57.03 57.28 1sa4 h ASP 321 Cb 0.16 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 40.91 1sa4 h ASP 321 CO -0.19 1.16 0.20 0.24 -2.88 0.00 0.00 179.24 177.76 1sa4 h MET 322 N 0.88 0.39 0.00 0.28 2.86 -0.71 -1.57 114.93 117.05 1sa4 h MET 322 Ca 0.13 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.71 1sa4 h MET 322 Cb 0.72 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.29 1sa4 h MET 322 CO 0.06 0.26 -0.14 -0.07 1.06 0.00 0.00 176.91 178.08 1sa4 h LEU 323 N 0.40 0.00 0.00 1.22 3.38 -1.15 -1.31 115.31 117.85 1sa4 h LEU 323 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1sa4 h LEU 323 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1sa4 h LEU 323 CO -0.10 0.14 -0.01 1.21 0.09 0.00 0.00 178.44 179.76 1sa4 n GLU 324 N -3.93 0.22 -1.46 1.13 4.07 -0.65 -3.78 120.64 116.25 1sa4 n GLU 324 Ca -0.02 0.18 -0.16 0.00 -0.06 0.00 0.00 57.16 57.10 1sa4 n GLU 324 Cb 0.23 -1.76 0.09 0.00 -0.06 0.00 0.00 31.44 29.95 1sa4 n GLU 324 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1sa4 n ASN 325 N -2.15 4.13 -3.98 4.31 3.02 -0.54 -4.97 115.26 115.08 1sa4 n ASN 325 Ca 0.06 -3.80 -0.28 0.00 -0.03 0.00 0.00 54.58 50.54 1sa4 n ASN 325 Cb 0.42 -0.49 -0.01 0.00 -0.61 0.00 0.00 39.78 39.08 1sa4 n ASN 325 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sa4 n GLN 326 N -0.88 -3.63 -0.80 3.52 1.13 -1.22 -4.92 117.38 110.58 1sa4 n GLN 326 Ca 0.39 0.44 -0.30 0.00 -1.94 0.00 0.00 57.00 55.59 1sa4 n GLN 326 Cb 0.89 -4.79 0.18 0.00 0.11 0.00 0.00 30.24 26.63 1sa4 n GLN 326 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1sa4 s ASP 328 N -2.83 6.95 -1.00 0.00 3.68 -1.26 -4.00 116.67 118.22 1sa4 s ASP 328 Ca 0.66 1.53 -0.01 0.00 2.13 0.00 0.00 52.55 56.86 1sa4 s ASP 328 Cb -0.22 -2.47 0.00 0.00 -1.45 0.00 0.00 42.92 38.78 1sa4 s ASP 328 CO 0.59 -0.21 0.84 0.59 0.13 0.00 0.00 175.17 177.11 1sa4 n ASN 329 N -0.20 -2.64 -0.24 -0.34 3.02 -1.26 -4.85 115.26 108.75 1sa4 n ASN 329 Ca 0.04 -0.49 0.03 0.00 -0.03 0.00 0.00 54.58 54.13 1sa4 n ASN 329 Cb 0.53 -4.25 0.16 0.00 -0.61 0.00 0.00 39.78 35.61 1sa4 n ASN 329 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1sa4 h LYS 330 N -1.66 0.40 -0.81 3.52 3.64 -1.97 -1.82 116.57 117.88 1sa4 h LYS 330 Ca -0.48 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 58.90 1sa4 h LYS 330 Cb 1.28 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.96 1sa4 h LYS 330 CO 0.41 0.27 0.52 0.93 -2.27 0.00 0.00 179.45 179.32 1sa4 h GLU 331 N 0.42 1.01 -0.43 1.90 4.39 -1.92 -0.26 114.58 119.68 1sa4 h GLU 331 Ca 0.38 -0.06 -0.09 0.00 0.34 0.00 0.00 59.36 59.93 1sa4 h GLU 331 Cb 0.55 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 1sa4 h GLU 331 CO -0.38 0.67 -0.06 0.22 -1.16 0.00 0.00 179.01 178.30 1sa4 h ASP 332 N 1.04 0.80 -0.41 1.42 3.58 -1.74 -1.96 116.42 119.15 1sa4 h ASP 332 Ca 0.31 -0.34 -0.04 0.00 0.42 0.00 0.00 57.03 57.38 1sa4 h ASP 332 Cb -0.05 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 40.76 1sa4 h ASP 332 CO -0.09 0.96 0.09 0.40 -2.88 0.00 0.00 179.24 177.72 1sa4 h ILE 333 N 0.64 1.23 -0.42 2.25 1.08 -1.06 -2.15 117.51 119.08 1sa4 h ILE 333 Ca 0.11 -0.81 0.00 0.00 -0.39 0.00 0.00 64.86 63.78 1sa4 h ILE 333 Cb 0.58 0.98 -0.02 0.00 -3.07 0.00 0.00 36.82 35.29 1sa4 h ILE 333 CO 0.03 0.28 0.28 0.25 -0.69 0.00 0.00 178.15 178.30 1sa4 h LEU 334 N 0.53 0.49 -0.90 1.44 5.85 -0.99 -0.69 115.31 121.04 1sa4 h LEU 334 Ca 0.13 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 1sa4 h LEU 334 Cb 0.33 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 1sa4 h LEU 334 CO 0.00 0.37 0.53 0.78 -0.34 0.00 0.00 178.44 179.79 1sa4 h ASN 335 N 0.57 1.08 -0.48 1.25 2.35 -1.22 -0.56 115.58 118.58 1sa4 h ASN 335 Ca 0.15 -0.07 -0.08 0.00 -0.55 0.00 0.00 56.30 55.75 1sa4 h ASN 335 Cb -0.05 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.03 1sa4 h ASN 335 CO -0.03 0.84 -0.01 0.11 -1.65 0.00 0.00 177.43 176.68 1sa4 h LYS 336 N 1.24 0.85 -0.44 0.81 1.57 -1.04 -1.58 116.57 117.98 1sa4 h LYS 336 Ca 0.32 -0.28 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 1sa4 h LYS 336 Cb -0.04 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 1sa4 h LYS 336 CO -0.06 0.90 0.15 0.00 -0.57 0.00 0.00 179.45 179.87 1sa4 h ALA 337 N 0.92 0.57 -0.40 3.86 0.00 -0.73 -1.88 119.26 121.60 1sa4 h ALA 337 Ca 0.13 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1sa4 h ALA 337 Cb 0.53 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1sa4 h ALA 337 CO 0.03 0.21 -0.07 -0.07 0.00 0.00 0.00 179.25 179.35 1sa4 h LEU 338 N 0.57 0.67 -0.54 0.00 3.38 -1.03 -0.69 115.31 117.66 1sa4 h LEU 338 Ca 0.14 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1sa4 h LEU 338 Cb 0.24 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1sa4 h LEU 338 CO -0.01 0.78 0.17 -0.33 0.09 0.00 0.00 178.44 179.14 1sa4 h GLU 339 N 0.64 0.85 -0.46 1.13 5.08 -1.07 -2.00 114.58 118.74 1sa4 h GLU 339 Ca 0.12 -0.18 -0.11 0.00 -1.00 0.00 0.00 59.36 58.18 1sa4 h GLU 339 Cb 0.50 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1sa4 h GLU 339 CO 0.03 0.78 -0.16 -0.07 -1.00 0.00 0.00 179.01 178.58 1sa4 h LEU 340 N 0.75 0.90 -0.89 1.33 3.38 -1.02 -1.32 115.31 118.44 1sa4 h LEU 340 Ca 0.17 -0.31 0.02 0.00 0.09 0.00 0.00 57.88 57.86 1sa4 h LEU 340 Cb 0.28 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 1sa4 h LEU 340 CO -0.00 1.05 0.58 0.00 0.09 0.00 0.00 178.44 180.16 1sa4 h GLU 342 N 1.17 0.92 -0.68 0.00 4.22 -1.08 -0.08 114.58 119.05 1sa4 h GLU 342 Ca 0.34 -0.40 -0.04 0.00 0.08 0.00 0.00 59.36 59.34 1sa4 h GLU 342 Cb -0.08 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 1sa4 h GLU 342 CO -0.09 1.06 0.28 0.82 -2.18 0.00 0.00 179.01 178.89 1sa4 h ILE 343 N 0.76 1.24 -0.24 2.32 2.04 -0.74 0.29 117.51 123.18 1sa4 h ILE 343 Ca 0.10 -0.75 -0.06 0.00 1.00 0.00 0.00 64.86 65.15 1sa4 h ILE 343 Cb 0.77 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 1sa4 h ILE 343 CO 0.06 0.30 -0.08 -0.07 0.00 0.00 0.00 178.15 178.36 1sa4 h LEU 344 N 0.97 0.49 -0.90 1.44 3.38 -0.77 0.12 115.31 120.04 1sa4 h LEU 344 Ca 0.23 -0.38 -0.09 0.00 0.09 0.00 0.00 57.88 57.72 1sa4 h LEU 344 Cb 0.20 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1sa4 h LEU 344 CO -0.02 0.76 -0.16 0.00 0.09 0.00 0.00 178.44 179.11 1sa4 h ALA 345 N 0.74 1.07 0.00 1.53 0.00 -0.80 0.29 119.26 122.10 1sa4 h ALA 345 Ca 0.06 -0.32 -0.23 0.00 0.00 0.00 0.00 54.91 54.43 1sa4 h ALA 345 Cb 0.56 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 1sa4 h ALA 345 CO 0.03 0.57 -2.02 1.17 0.00 0.00 0.00 179.25 179.00 1sa4 n LYS 346 N -4.16 0.66 0.05 0.00 3.00 0.07 -4.25 118.16 113.54 1sa4 n LYS 346 Ca 0.01 0.02 0.00 0.00 -0.00 0.00 0.00 58.31 58.33 1sa4 n LYS 346 Cb 0.37 -1.61 0.00 0.00 0.00 0.00 0.00 35.03 33.79 1sa4 n LYS 346 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1sa4 n GLU 347 N -2.68 0.00 0.15 1.64 2.13 0.29 -4.86 120.64 117.32 1sa4 n GLU 347 Ca -0.19 0.00 0.04 0.00 0.66 0.00 0.00 57.16 57.66 1sa4 n GLU 347 Cb 0.93 -0.24 0.04 0.00 0.27 0.00 0.00 31.44 32.44 1sa4 n GLU 347 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1sa4 h LYS 348 N 0.00 0.00 -0.65 5.31 1.79 -1.28 -3.39 116.57 118.34 1sa4 h LYS 348 Ca 0.00 0.00 -0.31 0.00 -2.18 0.00 0.00 60.65 58.16 1sa4 h LYS 348 Cb 0.24 0.00 -0.28 0.00 -1.58 0.00 0.00 32.23 30.61 1sa4 h LYS 348 CO 0.00 0.43 -0.80 -3.47 -1.08 0.00 0.00 179.45 174.54 1sa4 n ASP 349 N -3.20 -0.35 0.25 0.86 2.03 0.10 -4.65 116.55 111.59 1sa4 n ASP 349 Ca 0.02 -2.80 0.16 0.00 0.52 0.00 0.00 54.79 52.69 1sa4 n ASP 349 Cb 0.71 0.34 0.88 0.00 -0.72 0.00 0.00 41.12 42.33 1sa4 n ASP 349 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1sa4 h THR 350 N 2.36 0.48 0.00 5.18 1.35 -1.68 -1.15 112.91 119.46 1sa4 h THR 350 Ca -0.14 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.71 1sa4 h THR 350 Cb 1.18 0.91 -0.00 0.00 -1.73 0.00 0.00 68.15 68.51 1sa4 h THR 350 CO 0.25 0.00 -0.09 -0.29 -0.25 0.00 0.00 175.52 175.13 1sa4 h ILE 351 N 0.00 0.54 -0.47 6.82 6.09 -1.89 -1.90 117.51 126.70 1sa4 h ILE 351 Ca 0.04 -0.42 -0.16 0.00 -1.37 0.00 0.00 64.86 62.95 1sa4 h ILE 351 Cb 0.26 1.28 -0.10 0.00 0.47 0.00 0.00 36.82 38.73 1sa4 h ILE 351 CO -0.00 0.09 0.09 0.54 -3.07 0.00 0.00 178.15 175.81 1sa4 n ARG 352 N -3.66 2.66 -0.33 2.19 1.74 -0.44 -4.72 116.66 114.10 1sa4 n ARG 352 Ca -0.02 -3.04 0.08 0.00 -0.77 0.00 0.00 57.85 54.10 1sa4 n ARG 352 Cb 0.21 -1.95 0.25 0.00 -1.02 0.00 0.00 32.46 29.94 1sa4 n ARG 352 CO 0.00 0.00 0.00 1.57 -1.52 0.00 0.00 177.63 177.68 1sa4 h LYS 353 N 1.64 0.79 -0.60 5.56 2.10 -1.37 -0.21 116.57 124.47 1sa4 h LYS 353 Ca 0.20 -0.05 -0.05 0.00 -2.00 0.00 0.00 60.65 58.75 1sa4 h LYS 353 Cb 1.86 -0.18 -0.03 0.00 -0.90 0.00 0.00 32.23 32.98 1sa4 h LYS 353 CO 0.48 0.52 0.16 0.93 -2.00 0.00 0.00 179.45 179.54 1sa4 h GLU 354 N 0.81 0.93 -0.13 0.07 4.39 -1.85 -0.37 114.58 118.43 1sa4 h GLU 354 Ca 0.50 -0.19 -0.02 0.00 0.34 0.00 0.00 59.36 59.98 1sa4 h GLU 354 Cb 0.62 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 29.13 1sa4 h GLU 354 CO -0.32 0.82 -0.02 -0.92 -1.16 0.00 0.00 179.01 177.41 1sa4 h TYR 355 N 0.89 0.26 -0.13 4.33 3.20 -1.47 -2.11 116.97 121.94 1sa4 h TYR 355 Ca 0.20 -0.05 -0.06 0.00 3.14 0.00 0.00 58.73 61.96 1sa4 h TYR 355 Cb 0.30 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 1sa4 h TYR 355 CO 0.02 0.50 -0.19 -1.49 -1.64 0.00 0.00 178.16 175.36 1sa4 h TRP 356 N -0.06 0.22 -0.16 -3.82 4.06 -0.88 -0.68 115.95 114.63 1sa4 h TRP 356 Ca 0.03 -0.03 -0.17 0.00 2.06 0.00 0.00 58.89 60.79 1sa4 h TRP 356 Cb 0.41 -0.06 -0.01 0.00 -1.00 0.00 0.00 29.16 28.50 1sa4 h TRP 356 CO 0.04 0.39 -0.59 0.00 -3.56 0.00 0.00 178.44 174.73 1sa4 h ARG 357 N 0.19 0.51 -0.36 0.49 -0.00 -1.04 -1.38 114.38 112.81 1sa4 h ARG 357 Ca 0.04 -0.34 -0.03 0.00 -0.50 0.00 0.00 59.98 59.14 1sa4 h ARG 357 Cb 0.45 0.05 -0.01 0.00 0.00 0.00 0.00 29.97 30.45 1sa4 h ARG 357 CO 0.03 0.95 0.10 -0.92 0.00 0.00 0.00 179.97 180.14 1sa4 h TYR 358 N 0.39 0.58 -0.93 3.04 3.20 -0.71 -1.46 116.97 121.08 1sa4 h TYR 358 Ca -0.00 -0.06 0.01 0.00 3.14 0.00 0.00 58.73 61.82 1sa4 h TYR 358 Cb 1.14 -0.17 -0.05 0.00 1.54 0.00 0.00 36.73 39.19 1sa4 h TYR 358 CO 0.04 0.57 0.62 0.82 -1.64 0.00 0.00 178.16 178.57 1sa4 h ILE 359 N 0.42 1.23 -0.56 1.81 1.08 -1.01 0.95 117.51 121.44 1sa4 h ILE 359 Ca 0.11 -0.43 -0.00 0.00 -0.39 0.00 0.00 64.86 64.15 1sa4 h ILE 359 Cb 0.27 -0.13 -0.03 0.00 -3.07 0.00 0.00 36.82 33.86 1sa4 h ILE 359 CO -0.00 0.23 0.33 1.23 -0.69 0.00 0.00 178.15 179.25 1sa4 h GLY 360 N 1.26 0.81 1.20 5.37 0.00 -0.91 -1.04 103.07 109.76 1sa4 h GLY 360 Ca 0.34 -0.34 -0.14 0.00 0.00 0.00 0.00 47.33 47.19 1sa4 h GLY 360 CO -0.08 0.33 -0.28 3.21 0.00 0.00 0.00 176.54 179.72 1sa4 h ARG 361 N 0.75 0.90 -0.30 4.80 3.08 -0.72 -2.73 114.38 120.16 1sa4 h ARG 361 Ca 0.20 -0.41 0.00 0.00 0.07 0.00 0.00 59.98 59.84 1sa4 h ARG 361 Cb -0.01 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 1sa4 h ARG 361 CO -0.04 1.06 0.19 0.77 -1.07 0.00 0.00 179.97 180.89 1sa4 h SER 362 N 0.77 0.35 -0.80 7.04 0.02 -0.52 -0.71 113.55 119.69 1sa4 h SER 362 Ca 0.09 -0.03 0.07 0.00 -0.84 0.00 0.00 61.79 61.08 1sa4 h SER 362 Cb 0.84 -0.09 -0.06 0.00 0.14 0.00 0.00 62.40 63.23 1sa4 h SER 362 CO 0.07 0.27 0.47 -0.07 -1.14 0.00 0.00 176.83 176.44 1sa4 h LEU 363 N 0.39 0.71 -0.85 5.07 3.38 -1.15 -1.08 115.31 121.78 1sa4 h LEU 363 Ca 0.11 0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.99 1sa4 h LEU 363 Cb -0.02 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1sa4 h LEU 363 CO -0.02 0.43 -0.52 1.56 0.09 0.00 0.00 178.44 179.98 1sa4 h GLN 364 N 0.83 0.14 0.00 1.13 4.20 -1.13 0.34 115.11 120.62 1sa4 h GLN 364 Ca 0.37 -0.08 -0.05 0.00 0.06 0.00 0.00 58.65 58.94 1sa4 h GLN 364 Cb 0.25 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 1sa4 h GLN 364 CO -0.21 0.63 -0.24 0.66 -0.67 0.00 0.00 178.83 179.00 1sa4 h SER 365 N 0.11 0.00 0.00 1.46 4.64 -0.33 -2.99 113.55 116.44 1sa4 h SER 365 Ca 0.00 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.06 1sa4 h SER 365 Cb 0.95 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.99 1sa4 h SER 365 CO 0.07 0.24 -2.27 0.29 -0.87 0.00 0.00 176.83 174.30 1sa4 n LYS 366 N -3.24 0.70 0.00 4.77 5.02 -0.48 -4.78 118.16 120.14 1sa4 n LYS 366 Ca 0.02 -0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 1sa4 n LYS 366 Cb 0.55 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 34.04 1sa4 n LYS 366 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1sa4 n HIS 367 N -2.61 0.00 0.24 2.13 8.25 0.09 -4.82 115.22 118.50 1sa4 n HIS 367 Ca -0.25 -0.10 0.08 0.00 -0.26 0.00 0.00 57.72 57.19 1sa4 n HIS 367 Cb 0.99 -0.01 0.57 0.00 1.12 0.00 0.00 29.99 32.66 1sa4 n HIS 367 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 1sa4 h SER 368 N 0.00 0.00 0.00 0.41 0.02 -1.66 -3.48 113.55 108.84 1sa4 h SER 368 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1sa4 h SER 368 Cb 0.54 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.08 1sa4 h SER 368 CO 0.00 0.17 0.00 0.41 -1.14 0.00 0.00 176.83 176.27