#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sm3 s VAL 4 N 0.00 2.61 -0.29 9.51 1.01 -1.26 -4.99 120.40 126.99 1sm3 s VAL 4 Ca 0.00 -0.79 -0.09 0.00 0.00 0.00 0.00 61.98 61.10 1sm3 s VAL 4 Cb 0.00 -2.10 -0.02 0.00 0.00 0.00 0.00 36.38 34.26 1sm3 s VAL 4 CO 0.00 0.52 0.13 -0.69 0.00 0.00 0.00 175.10 175.06 1sm3 s VAL 5 N 0.82 4.63 -0.09 2.92 1.01 -1.26 -1.28 120.40 127.15 1sm3 s VAL 5 Ca -0.05 -0.24 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 1sm3 s VAL 5 Cb -0.15 -3.27 -0.03 0.00 0.00 0.00 0.00 36.38 32.92 1sm3 s VAL 5 CO -0.00 0.18 -0.03 -0.89 0.00 0.00 0.00 175.10 174.36 1sm3 s THR 6 N 1.64 4.06 0.28 3.92 2.01 -0.37 -3.70 115.64 123.48 1sm3 s THR 6 Ca 0.06 -0.34 0.04 0.00 0.31 0.00 0.00 61.69 61.76 1sm3 s THR 6 Cb -0.16 -2.70 -0.06 0.00 0.01 0.00 0.00 72.50 69.59 1sm3 s THR 6 CO 0.06 0.58 0.02 -1.10 -0.69 0.00 0.00 174.62 173.50 1sm3 s GLN 7 N -0.64 1.52 0.32 4.92 -0.21 -1.26 -1.38 119.66 122.92 1sm3 s GLN 7 Ca 0.10 -1.81 -0.28 0.00 0.02 0.00 0.00 55.36 53.39 1sm3 s GLN 7 Cb -0.12 -0.79 -0.09 0.00 1.00 0.00 0.00 33.01 33.01 1sm3 s GLN 7 CO 0.02 -0.13 1.10 -1.21 -2.12 0.00 0.00 175.29 172.95 1sm3 s GLU 8 N -3.87 4.49 0.11 2.91 8.01 -1.26 -4.89 118.70 124.21 1sm3 s GLU 8 Ca 0.33 1.76 -0.14 0.00 0.01 0.00 0.00 54.97 56.94 1sm3 s GLU 8 Cb 0.07 -3.01 -0.07 0.00 -4.31 0.00 0.00 34.13 26.81 1sm3 s GLU 8 CO 0.13 0.08 1.45 0.66 0.01 0.00 0.00 175.26 177.59 1sm3 h SER 9 N 3.44 0.83 -5.01 -0.19 4.64 -1.95 -3.29 113.55 112.02 1sm3 h SER 9 Ca -0.47 -0.46 -0.06 0.00 -0.47 0.00 0.00 61.79 60.32 1sm3 h SER 9 Cb 1.21 -0.23 -0.17 0.00 -0.31 0.00 0.00 62.40 62.90 1sm3 h SER 9 CO 0.66 1.11 0.06 0.00 -0.87 0.00 0.00 176.83 177.79 1sm3 s ALA 10 N -4.41 -1.41 0.01 5.18 0.00 -1.26 -0.21 121.76 119.66 1sm3 s ALA 10 Ca -0.12 0.76 -0.03 0.00 0.00 0.00 0.00 51.96 52.57 1sm3 s ALA 10 Cb 0.09 0.28 -0.01 0.00 0.00 0.00 0.00 23.12 23.48 1sm3 s ALA 10 CO 0.84 -0.46 0.05 -0.51 0.00 0.00 0.00 175.76 175.68 1sm3 s LEU 11 N -1.74 1.92 -0.01 0.00 1.43 0.02 -4.87 118.68 115.43 1sm3 s LEU 11 Ca -0.07 -0.37 0.06 0.00 -1.03 0.00 0.00 54.13 52.72 1sm3 s LEU 11 Cb -0.01 0.37 -0.02 0.00 0.03 0.00 0.00 46.19 46.57 1sm3 s LEU 11 CO 0.01 -0.34 -0.20 -0.89 0.23 0.00 0.00 176.35 175.17 1sm3 s THR 12 N -1.44 1.59 -0.01 5.49 2.01 -1.26 -0.50 115.64 121.52 1sm3 s THR 12 Ca -0.15 -0.86 -0.13 0.00 0.31 0.00 0.00 61.69 60.85 1sm3 s THR 12 Cb -0.09 -1.32 0.02 0.00 0.01 0.00 0.00 72.50 71.12 1sm3 s THR 12 CO 0.00 0.44 0.28 0.28 -0.69 0.00 0.00 174.62 174.93 1sm3 s THR 13 N -0.48 0.06 0.45 -0.82 -1.32 0.66 -4.96 115.64 109.23 1sm3 s THR 13 Ca 0.08 -0.51 -0.18 0.00 -1.21 0.00 0.00 61.69 59.87 1sm3 s THR 13 Cb -0.08 -0.58 -0.09 0.00 -1.51 0.00 0.00 72.50 70.24 1sm3 s THR 13 CO -0.01 -0.28 0.93 -0.44 -2.21 0.00 0.00 174.62 172.61 1sm3 s SER 14 N -1.32 6.78 0.69 8.08 0.01 -1.26 -0.70 113.70 125.99 1sm3 s SER 14 Ca -0.14 1.57 -0.17 0.00 1.31 0.00 0.00 55.95 58.53 1sm3 s SER 14 Cb -0.06 -2.50 0.02 0.00 0.21 0.00 0.00 66.02 63.69 1sm3 s SER 14 CO 0.04 -0.43 1.26 -2.16 0.41 0.00 0.00 173.24 172.35 1sm3 s PRO 15 N -3.54 2.29 0.00 12.44 0.04 -1.26 -2.91 135.00 142.06 1sm3 s PRO 15 Ca 0.59 1.95 0.00 0.00 0.04 0.00 0.00 61.00 63.58 1sm3 s PRO 15 Cb -0.10 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1sm3 s PRO 15 CO 0.21 -1.77 0.00 0.41 0.04 0.00 0.00 177.00 175.90 1sm3 n GLY 16 N 0.73 2.14 3.98 0.56 0.00 0.29 -4.94 105.19 107.96 1sm3 n GLY 16 Ca 0.15 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.97 1sm3 n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sm3 s GLU 17 N -0.36 2.83 -0.07 1.61 0.41 -1.15 -4.27 118.70 117.71 1sm3 s GLU 17 Ca 0.00 -0.89 -0.05 0.00 -0.41 0.00 0.00 54.97 53.63 1sm3 s GLU 17 Cb 0.00 -2.64 -0.04 0.00 -1.78 0.00 0.00 34.13 29.67 1sm3 s GLU 17 CO 0.00 -0.36 0.13 0.99 -0.49 0.00 0.00 175.26 175.53 1sm3 s THR 18 N -2.50 5.30 0.03 3.63 2.01 -1.26 -0.22 115.64 122.63 1sm3 s THR 18 Ca 0.53 -0.00 0.04 0.00 0.31 0.00 0.00 61.69 62.56 1sm3 s THR 18 Cb -0.10 -3.36 -0.02 0.00 0.01 0.00 0.00 72.50 69.03 1sm3 s THR 18 CO 0.35 0.51 -0.12 0.68 -0.69 0.00 0.00 174.62 175.35 1sm3 s VAL 19 N -1.12 0.93 -0.10 3.82 -7.23 -0.41 -4.96 120.40 111.33 1sm3 s VAL 19 Ca 0.19 -0.88 0.03 0.00 -1.81 0.00 0.00 61.98 59.51 1sm3 s VAL 19 Cb -0.12 -0.85 0.01 0.00 0.56 0.00 0.00 36.38 35.97 1sm3 s VAL 19 CO 0.09 -0.02 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.78 1sm3 s THR 20 N -0.80 1.71 -0.10 5.32 2.01 -1.26 -0.81 115.64 121.71 1sm3 s THR 20 Ca 0.00 -0.80 -0.04 0.00 0.31 0.00 0.00 61.69 61.16 1sm3 s THR 20 Cb -0.07 -1.51 -0.04 0.00 0.01 0.00 0.00 72.50 70.89 1sm3 s THR 20 CO 0.01 0.48 0.04 -0.76 -0.69 0.00 0.00 174.62 173.70 1sm3 s LEU 21 N 0.60 3.82 0.41 4.42 1.02 0.01 -4.97 118.68 123.99 1sm3 s LEU 21 Ca -0.14 0.23 0.07 0.00 0.02 0.00 0.00 54.13 54.31 1sm3 s LEU 21 Cb -0.17 -1.90 -0.05 0.00 0.02 0.00 0.00 46.19 44.10 1sm3 s LEU 21 CO 0.04 0.37 0.19 0.42 0.02 0.00 0.00 176.35 177.39 1sm3 s THR 22 N -0.84 2.32 -0.20 5.49 -4.23 -1.26 -0.52 115.64 116.39 1sm3 s THR 22 Ca 0.13 -1.69 -0.04 0.00 -1.18 0.00 0.00 61.69 58.91 1sm3 s THR 22 Cb -0.12 -3.00 0.10 0.00 1.34 0.00 0.00 72.50 70.83 1sm3 s THR 22 CO 0.03 -0.00 0.33 0.00 -0.54 0.00 0.00 174.62 174.44 1sm3 s ARG 24 N 2.49 2.10 -0.09 0.00 1.70 -0.48 -1.39 118.95 123.27 1sm3 s ARG 24 Ca 0.06 -1.39 -0.01 0.00 -0.47 0.00 0.00 55.73 53.91 1sm3 s ARG 24 Cb -0.14 -2.11 -0.03 0.00 -0.57 0.00 0.00 34.95 32.10 1sm3 s ARG 24 CO -0.13 0.39 -0.03 0.45 -1.08 0.00 0.00 175.30 174.91 1sm3 s SER 25 N -3.24 4.99 0.00 -2.89 0.15 -1.26 -1.23 113.70 110.21 1sm3 s SER 25 Ca 0.28 0.05 0.19 0.00 0.70 0.00 0.00 55.95 57.17 1sm3 s SER 25 Cb -0.07 -1.44 0.96 0.00 -1.71 0.00 0.00 66.02 63.76 1sm3 s SER 25 CO 0.17 0.33 1.61 -1.54 1.20 0.00 0.00 173.24 175.01 1sm3 n SER 26 N 2.42 0.00 -0.01 5.45 3.41 -0.41 -3.32 113.62 121.17 1sm3 n SER 26 Ca -0.18 0.08 0.05 0.00 -0.26 0.00 0.00 58.87 58.56 1sm3 n SER 26 Cb 0.53 -0.32 -0.14 0.00 -0.26 0.00 0.00 64.21 64.03 1sm3 n SER 26 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1sm3 n THR 27 N -1.32 0.55 -3.59 6.66 -2.24 -1.26 -4.95 114.28 108.13 1sm3 n THR 27 Ca 0.09 -0.61 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 1sm3 n THR 27 Cb 0.17 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.15 1sm3 n THR 27 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sm3 n GLY 27 N 1.38 -0.46 3.78 3.38 0.00 -1.21 -5.12 105.19 106.94 1sm3 n GLY 27 Ca -0.11 -1.11 -0.41 0.00 0.00 0.00 0.00 46.02 44.40 1sm3 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sm3 n ALA 27 N -0.02 2.33 -2.68 4.61 0.00 -1.26 -4.14 120.51 119.35 1sm3 n ALA 27 Ca 0.00 0.32 -0.41 0.00 0.00 0.00 0.00 53.44 53.34 1sm3 n ALA 27 Cb 0.00 -2.42 -0.04 0.00 0.00 0.00 0.00 19.45 16.99 1sm3 n ALA 27 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1sm3 s VAL 27 N -1.14 4.88 0.43 0.00 1.01 0.71 -4.96 120.40 121.33 1sm3 s VAL 27 Ca 0.55 1.71 0.00 0.00 0.00 0.00 0.00 61.98 64.24 1sm3 s VAL 27 Cb -0.46 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 31.75 1sm3 s VAL 27 CO 0.62 0.04 0.04 0.35 0.00 0.00 0.00 175.10 176.15 1sm3 n THR 28 N 4.60 0.00 0.30 3.92 -2.24 -1.26 -4.48 114.28 115.12 1sm3 n THR 28 Ca 0.05 -1.99 0.18 0.00 -2.27 0.00 0.00 64.05 60.02 1sm3 n THR 28 Cb 0.49 0.35 0.85 0.00 -2.10 0.00 0.00 70.33 69.92 1sm3 n THR 28 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1sm3 h THR 29 N 1.16 0.00 0.00 4.28 1.35 -1.99 -1.29 112.91 116.41 1sm3 h THR 29 Ca -0.35 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 1sm3 h THR 29 Cb 1.07 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.72 1sm3 h THR 29 CO 0.57 0.00 0.00 -1.20 -0.25 0.00 0.00 175.52 174.64 1sm3 n SER 30 N -2.96 0.00 -0.56 5.36 7.64 -1.26 -2.04 113.62 119.80 1sm3 n SER 30 Ca -0.01 0.47 0.14 0.00 1.01 0.00 0.00 58.87 60.48 1sm3 n SER 30 Cb 0.20 -0.49 0.46 0.00 -1.01 0.00 0.00 64.21 63.37 1sm3 n SER 30 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1sm3 n ASN 31 N -1.49 1.74 -3.69 6.43 4.13 -0.48 -4.77 115.26 117.13 1sm3 n ASN 31 Ca 0.05 -1.58 -0.21 0.00 1.68 0.00 0.00 54.58 54.51 1sm3 n ASN 31 Cb 0.21 -0.01 -0.02 0.00 -1.54 0.00 0.00 39.78 38.42 1sm3 n ASN 31 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1sm3 n TYR 32 N 0.36 -0.70 -1.62 3.10 4.02 -0.87 -0.23 117.16 121.22 1sm3 n TYR 32 Ca 0.18 0.18 -0.50 0.00 -0.01 0.00 0.00 57.90 57.75 1sm3 n TYR 32 Cb 0.39 -1.49 -0.05 0.00 -0.02 0.00 0.00 39.34 38.16 1sm3 n TYR 32 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1sm3 n ALA 33 N -3.05 -0.13 -2.74 -0.72 0.00 -1.26 -3.61 120.51 109.00 1sm3 n ALA 33 Ca -0.12 0.49 -0.25 0.00 0.00 0.00 0.00 53.44 53.56 1sm3 n ALA 33 Cb 0.34 -2.18 -0.06 0.00 0.00 0.00 0.00 19.45 17.55 1sm3 n ALA 33 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1sm3 s ASN 34 N 0.65 5.14 -0.07 0.00 0.02 -0.23 -1.15 114.94 119.30 1sm3 s ASN 34 Ca 0.82 -0.30 0.02 0.00 -1.02 0.00 0.00 52.86 52.38 1sm3 s ASN 34 Cb -0.86 -1.22 0.02 0.00 0.02 0.00 0.00 41.25 39.21 1sm3 s ASN 34 CO 0.44 0.05 -0.10 0.26 0.02 0.00 0.00 177.10 177.77 1sm3 s TRP 35 N -1.86 1.34 -0.04 2.20 0.52 -0.23 -1.57 118.94 119.30 1sm3 s TRP 35 Ca 0.30 -0.51 0.05 0.00 0.02 0.00 0.00 56.10 55.96 1sm3 s TRP 35 Cb -0.09 -1.03 -0.01 0.00 -1.15 0.00 0.00 33.47 31.20 1sm3 s TRP 35 CO 0.21 -0.30 -0.19 0.08 0.02 0.00 0.00 176.95 176.78 1sm3 s VAL 36 N 0.88 1.54 -0.14 4.03 1.01 0.38 -0.07 120.40 128.03 1sm3 s VAL 36 Ca -0.11 -0.79 -0.05 0.00 0.00 0.00 0.00 61.98 61.03 1sm3 s VAL 36 Cb -0.15 -1.31 -0.03 0.00 0.00 0.00 0.00 36.38 34.89 1sm3 s VAL 36 CO 0.01 0.44 0.02 -1.58 0.00 0.00 0.00 175.10 173.99 1sm3 s GLN 37 N -0.11 3.57 -0.27 2.72 0.74 0.31 -0.10 119.66 126.52 1sm3 s GLN 37 Ca -0.01 -0.39 -0.03 0.00 0.05 0.00 0.00 55.36 54.98 1sm3 s GLN 37 Cb -0.11 -3.01 0.03 0.00 1.10 0.00 0.00 33.01 31.02 1sm3 s GLN 37 CO 0.02 0.43 -0.02 -2.00 -0.55 0.00 0.00 175.29 173.16 1sm3 s GLU 38 N -0.10 2.80 0.07 1.67 2.12 0.37 -1.36 118.70 124.26 1sm3 s GLU 38 Ca 0.05 -1.01 0.01 0.00 0.36 0.00 0.00 54.97 54.37 1sm3 s GLU 38 Cb -0.12 -3.09 -0.04 0.00 0.26 0.00 0.00 34.13 31.13 1sm3 s GLU 38 CO 0.02 -0.45 0.19 0.15 -0.54 0.00 0.00 175.26 174.63 1sm3 s LYS 39 N 1.34 3.35 -0.33 4.30 1.02 0.20 -1.79 119.74 127.83 1sm3 s LYS 39 Ca -0.00 -0.48 -0.37 0.00 0.02 0.00 0.00 55.97 55.13 1sm3 s LYS 39 Cb -0.17 -2.99 -0.16 0.00 -0.52 0.00 0.00 37.83 33.98 1sm3 s LYS 39 CO -0.03 0.60 1.23 -0.35 -0.92 0.00 0.00 175.35 175.88 1sm3 n PRO 40 N 0.29 0.00 0.00 -1.68 -0.04 -1.26 -1.61 135.00 130.70 1sm3 n PRO 40 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1sm3 n PRO 40 Cb 0.51 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.74 1sm3 n PRO 40 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1sm3 n ASP 41 N 2.89 0.00 -3.23 3.54 3.85 -1.26 -4.53 116.55 117.81 1sm3 n ASP 41 Ca 0.24 0.00 -0.23 0.00 -0.71 0.00 0.00 54.79 54.09 1sm3 n ASP 41 Cb -0.03 0.00 0.05 0.00 -1.35 0.00 0.00 41.12 39.79 1sm3 n ASP 41 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.20 177.60 1sm3 n HIS 42 N -0.95 -2.31 -3.21 2.11 8.25 -1.07 -4.93 115.22 113.11 1sm3 n HIS 42 Ca 0.00 0.71 -0.43 0.00 -0.26 0.00 0.00 57.72 57.74 1sm3 n HIS 42 Cb 0.00 -4.72 -0.08 0.00 1.12 0.00 0.00 29.99 26.31 1sm3 n HIS 42 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1sm3 s LEU 43 N -6.93 4.58 0.00 2.41 1.43 -0.63 -4.95 118.68 114.59 1sm3 s LEU 43 Ca 0.41 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 53.15 1sm3 s LEU 43 Cb -0.18 -2.59 -0.04 0.00 0.03 0.00 0.00 46.19 43.42 1sm3 s LEU 43 CO 0.51 -0.65 0.02 -0.36 0.23 0.00 0.00 176.35 176.10 1sm3 s PHE 44 N 2.50 3.12 -0.19 0.29 0.40 -1.26 -0.63 117.98 122.21 1sm3 s PHE 44 Ca 0.18 0.11 -0.14 0.00 -0.60 0.00 0.00 56.93 56.47 1sm3 s PHE 44 Cb -0.15 -1.68 0.06 0.00 0.51 0.00 0.00 43.02 41.75 1sm3 s PHE 44 CO 0.16 0.48 0.49 -0.08 0.70 0.00 0.00 175.22 176.97 1sm3 s THR 45 N -1.12 -0.01 0.12 0.64 -1.32 -0.46 -4.97 115.64 108.52 1sm3 s THR 45 Ca 0.21 0.03 -0.27 0.00 -1.21 0.00 0.00 61.69 60.45 1sm3 s THR 45 Cb -0.12 -0.70 -0.07 0.00 -1.51 0.00 0.00 72.50 70.10 1sm3 s THR 45 CO 0.11 0.01 0.85 -0.83 -2.21 0.00 0.00 174.62 172.55 1sm3 s GLY 46 N 0.82 2.93 -0.20 6.08 0.00 -1.26 -0.53 107.32 115.16 1sm3 s GLY 46 Ca -0.04 0.43 -0.10 0.00 0.00 0.00 0.00 44.72 45.01 1sm3 s GLY 46 CO -0.06 1.15 -0.26 1.04 0.00 0.00 0.00 173.10 174.97 1sm3 n LEU 47 N 2.30 1.46 -4.08 0.66 4.77 0.90 -4.59 117.00 118.41 1sm3 n LEU 47 Ca -0.02 0.23 -0.21 0.00 -0.03 0.00 0.00 56.01 55.98 1sm3 n LEU 47 Cb 0.49 -0.59 -0.15 0.00 -2.33 0.00 0.00 43.42 40.84 1sm3 n LEU 47 CO 0.48 0.43 -0.46 -0.63 -1.33 0.00 0.00 177.39 175.88 1sm3 s ILE 48 N -2.37 0.97 0.11 -0.08 -1.09 -1.00 0.10 121.20 117.84 1sm3 s ILE 48 Ca -0.28 -0.54 0.03 0.00 -2.23 0.00 0.00 60.65 57.64 1sm3 s ILE 48 Cb 0.11 -0.81 -0.04 0.00 -1.58 0.00 0.00 42.46 40.13 1sm3 s ILE 48 CO 0.36 0.27 -0.09 -0.83 -1.23 0.00 0.00 174.94 173.41 1sm3 s GLY 49 N -0.31 0.86 -1.30 6.18 0.00 0.19 -1.07 107.32 111.87 1sm3 s GLY 49 Ca 0.05 -1.28 -0.02 0.00 0.00 0.00 0.00 44.72 43.46 1sm3 s GLY 49 CO -0.00 -1.37 0.64 0.61 0.00 0.00 0.00 173.10 172.98 1sm3 n GLY 50 N 0.27 -0.37 5.00 0.20 0.00 -1.22 -1.33 105.19 107.74 1sm3 n GLY 50 Ca -0.14 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1sm3 n GLY 50 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1sm3 n THR 51 N -4.26 0.00 -1.88 2.61 -1.04 -0.30 -3.88 114.28 105.53 1sm3 n THR 51 Ca -0.28 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.73 1sm3 n THR 51 Cb 0.67 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.18 1sm3 n THR 51 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1sm3 n ASN 52 N 1.74 0.00 -4.51 8.00 0.23 -1.19 -3.07 115.26 116.46 1sm3 n ASN 52 Ca 0.00 -1.46 -0.43 0.00 -0.53 0.00 0.00 54.58 52.17 1sm3 n ASN 52 Cb 0.00 -0.09 -0.07 0.00 -2.08 0.00 0.00 39.78 37.53 1sm3 n ASN 52 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 1sm3 s ASN 53 N -0.46 6.28 0.10 0.53 3.04 -0.44 -4.61 114.94 119.38 1sm3 s ASN 53 Ca 0.00 -0.43 -0.30 0.00 0.04 0.00 0.00 52.86 52.16 1sm3 s ASN 53 Cb 0.00 -2.28 -0.06 0.00 -1.54 0.00 0.00 41.25 37.36 1sm3 s ASN 53 CO 0.00 -0.69 1.22 -0.60 -3.04 0.00 0.00 177.10 173.99 1sm3 s ARG 54 N 2.56 4.44 0.78 0.43 3.52 -1.26 -0.64 118.95 128.78 1sm3 s ARG 54 Ca 0.19 1.83 -0.14 0.00 -0.13 0.00 0.00 55.73 57.48 1sm3 s ARG 54 Cb -0.15 -3.31 0.07 0.00 -1.56 0.00 0.00 34.95 30.00 1sm3 s ARG 54 CO 0.17 -0.23 1.21 0.00 -0.81 0.00 0.00 175.30 175.64 1sm3 s ALA 55 N 0.78 1.93 0.39 6.12 0.00 0.12 -4.92 121.76 126.18 1sm3 s ALA 55 Ca 0.58 0.87 -0.27 0.00 0.00 0.00 0.00 51.96 53.13 1sm3 s ALA 55 Cb -0.31 -3.49 -0.10 0.00 0.00 0.00 0.00 23.12 19.23 1sm3 s ALA 55 CO 0.31 -2.16 1.37 -1.25 0.00 0.00 0.00 175.76 174.03 1sm3 s PRO 56 N -4.06 4.03 0.00 0.00 0.04 -1.26 -2.54 135.00 131.22 1sm3 s PRO 56 Ca 0.74 2.33 0.00 0.00 0.04 0.00 0.00 61.00 64.11 1sm3 s PRO 56 Cb -0.29 -2.86 0.00 0.00 0.04 0.00 0.00 34.50 31.39 1sm3 s PRO 56 CO 0.49 -0.50 0.00 0.41 0.04 0.00 0.00 177.00 177.44 1sm3 n GLY 57 N 0.63 3.02 3.72 0.56 0.00 -1.26 -5.01 105.19 106.84 1sm3 n GLY 57 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1sm3 n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sm3 s VAL 58 N -1.40 2.73 0.32 1.61 1.01 -1.05 -4.93 120.40 118.68 1sm3 s VAL 58 Ca 0.00 0.53 -0.27 0.00 0.00 0.00 0.00 61.98 62.24 1sm3 s VAL 58 Cb 0.00 -3.34 -0.13 0.00 0.00 0.00 0.00 36.38 32.91 1sm3 s VAL 58 CO 0.00 0.04 0.97 -2.65 0.00 0.00 0.00 175.10 173.47 1sm3 n PRO 59 N 3.82 1.28 0.25 2.72 -0.02 -1.26 -4.86 135.00 136.94 1sm3 n PRO 59 Ca 0.13 0.45 0.15 0.00 -2.02 0.00 0.00 63.50 62.21 1sm3 n PRO 59 Cb 0.39 -1.85 0.84 0.00 -0.02 0.00 0.00 33.50 32.87 1sm3 n PRO 59 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sm3 h ALA 60 N 1.81 1.72 0.00 3.55 0.00 -2.00 -1.79 119.26 122.54 1sm3 h ALA 60 Ca -0.40 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1sm3 h ALA 60 Cb 1.34 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1sm3 h ALA 60 CO 0.59 -0.13 0.00 2.89 0.00 0.00 0.00 179.25 182.60 1sm3 n ARG 61 N -3.93 0.00 -3.55 0.00 1.85 -1.26 -4.60 116.66 105.17 1sm3 n ARG 61 Ca -0.01 0.43 -0.37 0.00 -1.00 0.00 0.00 57.85 56.90 1sm3 n ARG 61 Cb 0.19 -1.50 -0.08 0.00 -1.05 0.00 0.00 32.46 30.02 1sm3 n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1sm3 s PHE 62 N -3.00 3.41 -0.00 2.89 0.08 -0.68 -0.90 117.98 119.78 1sm3 s PHE 62 Ca 0.02 0.51 0.00 0.00 0.12 0.00 0.00 56.93 57.58 1sm3 s PHE 62 Cb 0.03 -2.35 0.00 0.00 -0.57 0.00 0.00 43.02 40.13 1sm3 s PHE 62 CO 0.08 0.16 -0.00 -1.54 -0.10 0.00 0.00 175.22 173.82 1sm3 s SER 63 N 0.67 0.05 0.11 1.36 1.04 -0.15 -4.95 113.70 111.83 1sm3 s SER 63 Ca 0.15 -0.01 0.02 0.00 0.48 0.00 0.00 55.95 56.59 1sm3 s SER 63 Cb -0.13 -0.01 -0.04 0.00 0.10 0.00 0.00 66.02 65.94 1sm3 s SER 63 CO 0.04 0.00 0.22 -0.83 0.98 0.00 0.00 173.24 173.65 1sm3 s GLY 64 N 0.01 1.93 0.23 7.32 0.00 -1.26 -0.44 107.32 115.10 1sm3 s GLY 64 Ca -0.00 -0.97 -0.17 0.00 0.00 0.00 0.00 44.72 43.58 1sm3 s GLY 64 CO -0.00 -0.96 0.85 -1.14 0.00 0.00 0.00 173.10 171.85 1sm3 n SER 65 N -0.10 -1.72 -4.03 1.64 3.41 -0.16 -4.47 113.62 108.20 1sm3 n SER 65 Ca -0.06 -2.01 -0.30 0.00 -0.26 0.00 0.00 58.87 56.23 1sm3 n SER 65 Cb 0.53 2.82 -0.17 0.00 -0.26 0.00 0.00 64.21 67.13 1sm3 n SER 65 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1sm3 s LEU 66 N 0.00 1.69 -0.20 1.04 2.96 -1.26 -1.18 118.68 121.72 1sm3 s LEU 66 Ca 0.18 -0.47 0.01 0.00 -0.22 0.00 0.00 54.13 53.63 1sm3 s LEU 66 Cb -0.03 -1.16 0.04 0.00 0.50 0.00 0.00 46.19 45.54 1sm3 s LEU 66 CO 0.07 -0.04 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.30 1sm3 s ILE 67 N 1.38 1.81 0.00 6.68 1.01 -0.22 -4.96 121.20 126.90 1sm3 s ILE 67 Ca 0.03 -1.10 0.00 0.00 0.00 0.00 0.00 60.65 59.58 1sm3 s ILE 67 Cb -0.13 -1.83 0.00 0.00 0.01 0.00 0.00 42.46 40.50 1sm3 s ILE 67 CO -0.09 0.21 0.00 0.61 0.00 0.00 0.00 174.94 175.67 1sm3 n GLY 68 N 4.63 3.07 0.93 6.18 0.00 -1.26 -1.79 105.19 116.95 1sm3 n GLY 68 Ca -0.16 -0.34 0.03 0.00 0.00 0.00 0.00 46.02 45.56 1sm3 n GLY 68 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sm3 n ASP 69 N 1.35 2.54 -4.32 1.61 8.00 -1.26 -4.86 116.55 119.61 1sm3 n ASP 69 Ca 0.00 -2.29 -0.20 0.00 0.71 0.00 0.00 54.79 53.02 1sm3 n ASP 69 Cb 0.00 -0.50 -0.11 0.00 -0.02 0.00 0.00 41.12 40.49 1sm3 n ASP 69 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1sm3 s LYS 70 N -1.65 1.25 0.39 -1.24 1.02 -0.74 -0.21 119.74 118.57 1sm3 s LYS 70 Ca 0.20 -1.45 -0.16 0.00 0.02 0.00 0.00 55.97 54.58 1sm3 s LYS 70 Cb 0.14 -1.17 -0.09 0.00 -0.52 0.00 0.00 37.83 36.20 1sm3 s LYS 70 CO 0.07 0.22 0.83 0.00 -0.92 0.00 0.00 175.35 175.55 1sm3 s ALA 71 N -2.44 3.22 0.00 5.17 0.00 -0.49 -1.05 121.76 126.17 1sm3 s ALA 71 Ca 0.17 0.11 -0.05 0.00 0.00 0.00 0.00 51.96 52.20 1sm3 s ALA 71 Cb -0.04 -2.91 -0.00 0.00 0.00 0.00 0.00 23.12 20.17 1sm3 s ALA 71 CO 0.06 0.14 0.09 0.00 0.00 0.00 0.00 175.76 176.06 1sm3 s ALA 72 N -2.19 -0.21 -0.12 0.00 0.00 -0.32 -0.10 121.76 118.82 1sm3 s ALA 72 Ca 0.56 -0.23 0.03 0.00 0.00 0.00 0.00 51.96 52.33 1sm3 s ALA 72 Cb -0.10 0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.13 1sm3 s ALA 72 CO 0.20 -0.19 -0.23 -1.17 0.00 0.00 0.00 175.76 174.38 1sm3 s LEU 73 N -1.32 2.10 -0.11 0.00 2.96 0.32 -0.99 118.68 121.64 1sm3 s LEU 73 Ca -0.14 -0.58 0.03 0.00 -0.22 0.00 0.00 54.13 53.23 1sm3 s LEU 73 Cb -0.08 -1.42 0.00 0.00 0.50 0.00 0.00 46.19 45.19 1sm3 s LEU 73 CO 0.01 0.13 -0.23 -0.89 -1.32 0.00 0.00 176.35 174.05 1sm3 s THR 74 N 0.52 2.00 -0.32 3.68 2.01 0.41 -0.81 115.64 123.13 1sm3 s THR 74 Ca -0.14 -0.97 -0.06 0.00 0.31 0.00 0.00 61.69 60.83 1sm3 s THR 74 Cb -0.17 -1.75 0.04 0.00 0.01 0.00 0.00 72.50 70.63 1sm3 s THR 74 CO 0.05 0.54 0.08 -0.63 -0.69 0.00 0.00 174.62 173.97 1sm3 s ILE 75 N 0.49 3.64 -0.33 1.82 1.01 0.01 -0.98 121.20 126.87 1sm3 s ILE 75 Ca -0.15 -1.11 -0.19 0.00 0.00 0.00 0.00 60.65 59.20 1sm3 s ILE 75 Cb -0.17 -3.03 -0.01 0.00 0.01 0.00 0.00 42.46 39.26 1sm3 s ILE 75 CO 0.06 -0.11 0.58 -0.89 0.00 0.00 0.00 174.94 174.57 1sm3 s THR 76 N 1.39 4.97 -0.32 2.92 2.01 -0.08 -1.29 115.64 125.23 1sm3 s THR 76 Ca -0.02 0.63 -0.00 0.00 0.31 0.00 0.00 61.69 62.61 1sm3 s THR 76 Cb -0.19 -3.98 0.00 0.00 0.01 0.00 0.00 72.50 68.34 1sm3 s THR 76 CO 0.02 -0.18 0.27 0.61 -0.69 0.00 0.00 174.62 174.65 1sm3 n GLY 77 N 4.60 0.25 3.60 4.40 0.00 -1.09 -4.75 105.19 112.20 1sm3 n GLY 77 Ca -0.03 -0.33 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 1sm3 n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sm3 n ALA 78 N -1.94 0.02 -2.45 4.61 0.00 0.69 -4.36 120.51 117.07 1sm3 n ALA 78 Ca -0.07 0.32 -0.22 0.00 0.00 0.00 0.00 53.44 53.47 1sm3 n ALA 78 Cb 0.54 -2.05 -0.05 0.00 0.00 0.00 0.00 19.45 17.89 1sm3 n ALA 78 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1sm3 s GLN 79 N -1.74 2.54 0.41 0.00 -0.21 -1.26 -0.54 119.66 118.85 1sm3 s GLN 79 Ca 0.60 -1.46 0.12 0.00 0.02 0.00 0.00 55.36 54.64 1sm3 s GLN 79 Cb -0.63 -2.32 0.87 0.00 1.00 0.00 0.00 33.01 31.92 1sm3 s GLN 79 CO 0.59 0.03 1.94 1.79 -2.12 0.00 0.00 175.29 177.52 1sm3 h THR 80 N 1.32 1.17 0.00 -0.19 1.35 -1.92 0.25 112.91 114.88 1sm3 h THR 80 Ca -0.44 -0.78 0.00 0.00 -0.55 0.00 0.00 66.41 64.64 1sm3 h THR 80 Cb 1.26 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 69.01 1sm3 h THR 80 CO 0.61 0.23 0.00 -1.84 -0.25 0.00 0.00 175.52 174.27 1sm3 n GLU 81 N -4.27 0.16 0.00 4.72 0.28 -1.26 -2.07 120.64 118.20 1sm3 n GLU 81 Ca -0.02 0.17 0.12 0.00 -0.16 0.00 0.00 57.16 57.28 1sm3 n GLU 81 Cb 0.28 -1.50 0.25 0.00 1.43 0.00 0.00 31.44 31.90 1sm3 n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1sm3 n ASP 82 N -1.27 1.52 -4.66 -1.84 8.00 0.08 -4.84 116.55 113.55 1sm3 n ASP 82 Ca 0.05 -1.22 -0.42 0.00 0.71 0.00 0.00 54.79 53.91 1sm3 n ASP 82 Cb 0.08 0.22 -0.03 0.00 -0.02 0.00 0.00 41.12 41.37 1sm3 n ASP 82 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1sm3 s GLU 83 N -2.41 4.08 -0.06 -1.24 2.12 -0.88 -4.82 118.70 115.49 1sm3 s GLU 83 Ca 0.24 2.52 -0.30 0.00 0.36 0.00 0.00 54.97 57.80 1sm3 s GLU 83 Cb 0.19 -4.16 0.10 0.00 0.26 0.00 0.00 34.13 30.52 1sm3 s GLU 83 CO 0.50 -1.02 1.33 0.00 -0.54 0.00 0.00 175.26 175.54 1sm3 n ALA 84 N 7.76 -3.81 -2.67 6.30 0.00 -0.84 -4.93 120.51 122.32 1sm3 n ALA 84 Ca 0.20 -0.76 -0.34 0.00 0.00 0.00 0.00 53.44 52.54 1sm3 n ALA 84 Cb 0.42 0.07 -0.09 0.00 0.00 0.00 0.00 19.45 19.84 1sm3 n ALA 84 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1sm3 s ILE 85 N -2.01 4.22 -0.16 0.00 1.01 -0.74 -0.16 121.20 123.37 1sm3 s ILE 85 Ca 0.32 -0.37 0.01 0.00 0.00 0.00 0.00 60.65 60.61 1sm3 s ILE 85 Cb -0.00 -2.80 0.02 0.00 0.01 0.00 0.00 42.46 39.68 1sm3 s ILE 85 CO -0.02 0.54 -0.19 -0.31 0.00 0.00 0.00 174.94 174.96 1sm3 s TYR 86 N -0.94 2.56 0.03 3.97 1.51 -0.57 -0.48 117.35 123.44 1sm3 s TYR 86 Ca 0.15 -1.42 0.02 0.00 -1.01 0.00 0.00 57.07 54.81 1sm3 s TYR 86 Cb -0.11 -1.79 -0.04 0.00 -0.11 0.00 0.00 41.96 39.91 1sm3 s TYR 86 CO 0.05 -0.70 0.01 -0.06 -1.11 0.00 0.00 175.55 173.74 1sm3 s PHE 87 N 1.16 3.08 0.12 2.71 0.40 0.86 -1.65 117.98 124.66 1sm3 s PHE 87 Ca 0.00 0.06 0.09 0.00 -0.60 0.00 0.00 56.93 56.49 1sm3 s PHE 87 Cb -0.14 -1.64 -0.04 0.00 0.51 0.00 0.00 43.02 41.71 1sm3 s PHE 87 CO -0.08 0.48 -0.17 0.00 0.70 0.00 0.00 175.22 176.15 1sm3 s ALA 89 N -1.18 1.03 -0.01 0.00 0.00 -0.61 -0.10 121.76 120.91 1sm3 s ALA 89 Ca 0.19 -0.48 0.08 0.00 0.00 0.00 0.00 51.96 51.75 1sm3 s ALA 89 Cb -0.11 -0.32 -0.02 0.00 0.00 0.00 0.00 23.12 22.67 1sm3 s ALA 89 CO 0.11 0.21 -0.25 -0.51 0.00 0.00 0.00 175.76 175.32 1sm3 s LEU 90 N -0.06 2.12 -0.16 0.00 1.43 0.46 -1.07 118.68 121.40 1sm3 s LEU 90 Ca 0.01 -0.48 -0.15 0.00 -1.03 0.00 0.00 54.13 52.48 1sm3 s LEU 90 Cb -0.07 -1.34 -0.04 0.00 0.03 0.00 0.00 46.19 44.76 1sm3 s LEU 90 CO 0.00 0.31 0.33 0.86 0.23 0.00 0.00 176.35 178.08 1sm3 s TRP 91 N -0.66 3.45 -0.67 0.29 -0.11 0.68 -0.79 118.94 121.12 1sm3 s TRP 91 Ca 0.11 0.63 0.05 0.00 1.22 0.00 0.00 56.10 58.11 1sm3 s TRP 91 Cb -0.10 -2.39 0.20 0.00 -1.50 0.00 0.00 33.47 29.69 1sm3 s TRP 91 CO -0.00 0.20 0.60 0.66 -4.62 0.00 0.00 176.95 173.79 1sm3 n TYR 92 N 3.70 3.33 0.00 5.86 4.01 0.81 -4.31 117.16 130.57 1sm3 n TYR 92 Ca -0.11 -4.23 0.00 0.00 -0.16 0.00 0.00 57.90 53.40 1sm3 n TYR 92 Cb 0.52 -0.58 0.00 0.00 -0.31 0.00 0.00 39.34 38.96 1sm3 n TYR 92 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1sm3 n SER 93 N 1.50 0.00 -0.56 7.72 7.64 -1.26 -3.04 113.62 125.62 1sm3 n SER 93 Ca 0.24 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 60.12 1sm3 n SER 93 Cb 0.38 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.57 1sm3 n SER 93 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1sm3 n ASN 94 N 1.21 -0.06 -3.57 6.43 0.23 -1.26 -5.13 115.26 113.12 1sm3 n ASN 94 Ca 0.00 -1.28 -0.11 0.00 -0.53 0.00 0.00 54.58 52.67 1sm3 n ASN 94 Cb 0.00 -0.02 -0.02 0.00 -2.08 0.00 0.00 39.78 37.66 1sm3 n ASN 94 CO 0.00 0.00 0.00 -1.38 -0.93 0.00 0.00 177.26 174.95 1sm3 s HIS 95 N 0.00 -0.40 0.06 -2.53 -3.43 -1.17 -5.17 115.29 102.66 1sm3 s HIS 95 Ca 0.01 0.11 0.08 0.00 -0.80 0.00 0.00 55.06 54.46 1sm3 s HIS 95 Cb 0.01 0.56 -0.03 0.00 -1.43 0.00 0.00 32.58 31.69 1sm3 s HIS 95 CO -0.00 -0.94 -0.21 -1.58 -2.00 0.00 0.00 174.74 170.00 1sm3 s TRP 96 N -3.80 2.46 -0.09 0.38 0.52 -1.26 -0.13 118.94 117.02 1sm3 s TRP 96 Ca 0.04 -0.31 0.02 0.00 0.02 0.00 0.00 56.10 55.87 1sm3 s TRP 96 Cb -0.02 -1.40 0.01 0.00 -1.15 0.00 0.00 33.47 30.91 1sm3 s TRP 96 CO -0.07 0.25 -0.14 0.08 0.02 0.00 0.00 176.95 177.09 1sm3 s VAL 97 N -0.94 1.37 0.19 4.03 1.01 0.03 -4.96 120.40 121.11 1sm3 s VAL 97 Ca 0.14 -0.59 -0.05 0.00 0.00 0.00 0.00 61.98 61.49 1sm3 s VAL 97 Cb -0.10 -1.25 -0.06 0.00 0.00 0.00 0.00 36.38 34.97 1sm3 s VAL 97 CO 0.05 0.41 0.44 -0.36 0.00 0.00 0.00 175.10 175.64 1sm3 s PHE 98 N 0.82 3.47 0.80 5.22 0.40 -1.26 -0.40 117.98 127.03 1sm3 s PHE 98 Ca -0.11 0.60 -0.09 0.00 -0.60 0.00 0.00 56.93 56.73 1sm3 s PHE 98 Cb -0.15 -2.04 0.12 0.00 0.51 0.00 0.00 43.02 41.45 1sm3 s PHE 98 CO 0.01 0.36 1.13 0.20 0.70 0.00 0.00 175.22 177.62 1sm3 s GLY 99 N -2.63 1.72 0.18 4.36 0.00 0.86 -4.47 107.32 107.34 1sm3 s GLY 99 Ca 0.42 -1.12 0.24 0.00 0.00 0.00 0.00 44.72 44.27 1sm3 s GLY 99 CO 0.25 -0.56 1.74 0.61 0.00 0.00 0.00 173.10 175.14 1sm3 n GLY 100 N -3.23 -1.44 0.00 0.20 0.00 -1.24 -4.70 105.19 94.78 1sm3 n GLY 100 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1sm3 n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sm3 n GLY 101 N 0.70 0.69 3.21 -0.02 0.00 -1.26 -5.03 105.19 103.48 1sm3 n GLY 101 Ca 0.04 -1.51 -0.33 0.00 0.00 0.00 0.00 46.02 44.22 1sm3 n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sm3 s THR 102 N -1.78 2.37 -0.12 2.61 2.01 -0.66 -4.46 115.64 115.61 1sm3 s THR 102 Ca 0.00 -0.87 -0.26 0.00 0.31 0.00 0.00 61.69 60.87 1sm3 s THR 102 Cb 0.00 -1.98 -0.02 0.00 0.01 0.00 0.00 72.50 70.51 1sm3 s THR 102 CO 0.00 0.53 0.84 -0.75 -0.69 0.00 0.00 174.62 174.55 1sm3 s LYS 103 N 0.86 4.37 -0.23 4.92 2.20 0.71 -1.51 119.74 131.06 1sm3 s LYS 103 Ca -0.05 1.08 -0.08 0.00 -0.36 0.00 0.00 55.97 56.55 1sm3 s LYS 103 Cb -0.15 -3.53 -0.04 0.00 -1.51 0.00 0.00 37.83 32.60 1sm3 s LYS 103 CO -0.02 -0.22 0.10 -1.17 -0.36 0.00 0.00 175.35 173.68 1sm3 s LEU 104 N 1.73 3.72 -0.21 5.43 2.96 0.77 -0.80 118.68 132.29 1sm3 s LEU 104 Ca 0.41 -0.06 -0.08 0.00 -0.22 0.00 0.00 54.13 54.18 1sm3 s LEU 104 Cb -0.17 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.49 1sm3 s LEU 104 CO 0.16 0.04 0.09 -0.89 -1.32 0.00 0.00 176.35 174.42 1sm3 s THR 105 N 1.21 4.86 -0.42 3.68 2.01 0.35 -1.99 115.64 125.34 1sm3 s THR 105 Ca 0.05 -0.00 -0.01 0.00 0.31 0.00 0.00 61.69 62.04 1sm3 s THR 105 Cb -0.14 -3.22 0.11 0.00 0.01 0.00 0.00 72.50 69.26 1sm3 s THR 105 CO 0.04 0.41 0.19 -0.69 -0.69 0.00 0.00 174.62 173.89 1sm3 s VAL 106 N 0.74 3.04 -0.67 3.82 1.01 -1.26 -0.25 120.40 126.84 1sm3 s VAL 106 Ca 0.05 -2.29 -0.38 0.00 0.00 0.00 0.00 61.98 59.36 1sm3 s VAL 106 Cb -0.13 -3.11 -0.19 0.00 0.00 0.00 0.00 36.38 32.95 1sm3 s VAL 106 CO 0.02 -0.69 2.36 0.18 0.00 0.00 0.00 175.10 176.96 1sm3 n LEU 106 N 4.32 0.77 -0.39 3.92 4.77 0.13 -4.72 117.00 125.80 1sm3 n LEU 106 Ca 0.01 0.43 0.03 0.00 -0.03 0.00 0.00 56.01 56.45 1sm3 n LEU 106 Cb 0.41 -0.97 0.09 0.00 -2.33 0.00 0.00 43.42 40.62 1sm3 n LEU 106 CO 0.30 -0.78 0.56 0.61 -1.33 0.00 0.00 177.39 176.76 1sm3 n GLY 107 N 6.99 2.56 3.81 -0.72 0.00 -1.26 -4.26 105.19 112.30 1sm3 n GLY 107 Ca 0.57 -0.23 -0.05 0.00 0.00 0.00 0.00 46.02 46.31 1sm3 n GLY 107 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sm3 s SER 108 N -0.97 -0.13 0.40 1.61 1.04 -1.26 -5.14 113.70 109.25 1sm3 s SER 108 Ca 0.14 -0.60 -0.25 0.00 0.48 0.00 0.00 55.95 55.72 1sm3 s SER 108 Cb 0.07 0.58 -0.08 0.00 0.10 0.00 0.00 66.02 66.69 1sm3 s SER 108 CO 0.10 -1.11 1.14 -1.61 0.98 0.00 0.00 173.24 172.74 1sm3 s GLU 109 N -3.05 4.07 0.51 4.02 8.01 -1.26 -4.96 118.70 126.04 1sm3 s GLU 109 Ca 0.14 1.75 -0.22 0.00 0.01 0.00 0.00 54.97 56.65 1sm3 s GLU 109 Cb -0.03 -2.64 -0.06 0.00 -4.31 0.00 0.00 34.13 27.10 1sm3 s GLU 109 CO 0.05 -0.28 1.28 0.15 0.01 0.00 0.00 175.26 176.47 1sm3 s LYS 110 N -2.35 3.41 -0.04 1.61 1.02 -1.26 -4.86 119.74 117.27 1sm3 s LYS 110 Ca 0.57 2.06 0.00 0.00 0.02 0.00 0.00 55.97 58.62 1sm3 s LYS 110 Cb -0.28 -2.33 0.03 0.00 -0.52 0.00 0.00 37.83 34.72 1sm3 s LYS 110 CO 0.36 -0.92 -0.01 0.45 -0.92 0.00 0.00 175.35 174.31 1sm3 s SER 111 N -1.10 0.71 0.53 2.83 0.15 0.25 -4.92 113.70 112.14 1sm3 s SER 111 Ca 0.68 -0.05 -0.19 0.00 0.70 0.00 0.00 55.95 57.09 1sm3 s SER 111 Cb -0.36 -0.29 -0.07 0.00 -1.71 0.00 0.00 66.02 63.59 1sm3 s SER 111 CO 0.43 -0.11 1.05 -0.44 1.20 0.00 0.00 173.24 175.37 1sm3 s SER 112 N 1.16 6.12 0.27 5.45 0.01 -1.26 -0.82 113.70 124.64 1sm3 s SER 112 Ca -0.08 1.90 -0.29 0.00 1.31 0.00 0.00 55.95 58.79 1sm3 s SER 112 Cb -0.13 -2.55 -0.09 0.00 0.21 0.00 0.00 66.02 63.45 1sm3 s SER 112 CO -0.02 -0.93 1.19 -2.16 0.41 0.00 0.00 173.24 171.73 1sm3 s PRO 113 N -3.53 4.52 -0.34 12.44 0.04 -1.26 -4.23 135.00 142.64 1sm3 s PRO 113 Ca 0.66 1.95 -0.19 0.00 0.04 0.00 0.00 61.00 63.46 1sm3 s PRO 113 Cb -0.17 -3.16 -0.01 0.00 0.04 0.00 0.00 34.50 31.21 1sm3 s PRO 113 CO 0.26 0.02 0.55 0.45 0.04 0.00 0.00 177.00 178.33 1sm3 s SER 114 N -0.53 6.37 -0.11 6.66 0.15 0.11 -4.88 113.70 121.47 1sm3 s SER 114 Ca 0.48 0.12 -0.05 0.00 0.70 0.00 0.00 55.95 57.20 1sm3 s SER 114 Cb -0.35 -2.29 -0.04 0.00 -1.71 0.00 0.00 66.02 61.64 1sm3 s SER 114 CO 0.44 -0.49 0.08 -0.69 1.20 0.00 0.00 173.24 173.78 1sm3 s VAL 115 N 2.48 5.03 -0.03 4.45 1.01 -1.26 -1.32 120.40 130.76 1sm3 s VAL 115 Ca 0.21 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.22 1sm3 s VAL 115 Cb -0.15 -3.17 0.03 0.00 0.00 0.00 0.00 36.38 33.08 1sm3 s VAL 115 CO 0.13 0.60 0.01 -0.89 0.00 0.00 0.00 175.10 174.94 1sm3 s THR 116 N -0.84 0.14 -0.12 3.92 2.01 -0.82 -4.93 115.64 115.02 1sm3 s THR 116 Ca 0.13 0.11 0.01 0.00 0.31 0.00 0.00 61.69 62.25 1sm3 s THR 116 Cb -0.12 -0.24 -0.01 0.00 0.01 0.00 0.00 72.50 72.13 1sm3 s THR 116 CO 0.03 0.14 -0.15 -0.22 -0.69 0.00 0.00 174.62 173.72 1sm3 s LEU 117 N 1.05 2.60 -0.05 4.42 2.96 -1.26 -0.53 118.68 127.87 1sm3 s LEU 117 Ca -0.09 -0.35 0.05 0.00 -0.22 0.00 0.00 54.13 53.51 1sm3 s LEU 117 Cb -0.13 -1.57 -0.02 0.00 0.50 0.00 0.00 46.19 44.97 1sm3 s LEU 117 CO -0.02 0.18 -0.21 -0.36 -1.32 0.00 0.00 176.35 174.63 1sm3 s PHE 118 N 0.22 2.53 0.70 5.38 0.08 0.03 -4.98 117.98 121.95 1sm3 s PHE 118 Ca -0.10 -0.46 -0.11 0.00 0.12 0.00 0.00 56.93 56.38 1sm3 s PHE 118 Cb -0.16 -1.61 0.01 0.00 -0.57 0.00 0.00 43.02 40.70 1sm3 s PHE 118 CO 0.06 -0.04 1.09 -1.25 -0.10 0.00 0.00 175.22 174.98 1sm3 s PRO 119 N -0.41 2.91 0.38 0.24 0.04 -1.26 -2.00 135.00 134.90 1sm3 s PRO 119 Ca 0.04 0.48 -0.27 0.00 0.04 0.00 0.00 61.00 61.30 1sm3 s PRO 119 Cb -0.12 -2.03 -0.09 0.00 0.04 0.00 0.00 34.50 32.30 1sm3 s PRO 119 CO 0.02 -1.00 1.27 -1.25 0.04 0.00 0.00 177.00 176.08 1sm3 s PRO 120 N -5.35 4.10 0.70 0.56 0.04 -1.24 -4.81 135.00 129.01 1sm3 s PRO 120 Ca 0.58 2.10 -0.11 0.00 0.04 0.00 0.00 61.00 63.61 1sm3 s PRO 120 Cb -0.11 -2.83 0.01 0.00 0.04 0.00 0.00 34.50 31.61 1sm3 s PRO 120 CO 0.52 -0.36 1.06 -1.54 0.04 0.00 0.00 177.00 176.72 1sm3 s SER 121 N -0.75 5.37 0.19 6.66 1.04 -1.26 -4.92 113.70 120.02 1sm3 s SER 121 Ca 0.55 1.59 -0.07 0.00 0.48 0.00 0.00 55.95 58.50 1sm3 s SER 121 Cb -0.37 -2.47 0.10 0.00 0.10 0.00 0.00 66.02 63.39 1sm3 s SER 121 CO 0.48 -1.45 1.59 0.77 0.98 0.00 0.00 173.24 175.61 1sm3 h SER 122 N -0.72 0.89 -0.54 7.02 4.64 -1.99 -1.82 113.55 121.03 1sm3 h SER 122 Ca -0.44 -0.33 -0.01 0.00 -0.47 0.00 0.00 61.79 60.54 1sm3 h SER 122 Cb 1.21 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 63.03 1sm3 h SER 122 CO 0.57 1.08 0.31 -0.33 -0.87 0.00 0.00 176.83 177.59 1sm3 h GLU 123 N 0.76 0.75 -0.38 4.77 3.07 -1.99 -2.11 114.58 119.45 1sm3 h GLU 123 Ca 0.10 -0.08 -0.02 0.00 -0.50 0.00 0.00 59.36 58.85 1sm3 h GLU 123 Cb 0.77 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.52 1sm3 h GLU 123 CO 0.06 0.57 0.15 1.49 -1.40 0.00 0.00 179.01 179.89 1sm3 h GLU 124 N 0.73 0.57 -0.76 2.33 4.81 -1.85 -2.93 114.58 117.48 1sm3 h GLU 124 Ca 0.19 -0.10 0.16 0.00 -0.13 0.00 0.00 59.36 59.48 1sm3 h GLU 124 Cb 0.03 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.27 1sm3 h GLU 124 CO -0.03 0.55 0.51 -0.07 -0.73 0.00 0.00 179.01 179.23 1sm3 h LEU 125 N 0.47 0.34 -1.92 1.64 3.38 -0.70 0.18 115.31 118.71 1sm3 h LEU 125 Ca 0.13 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.20 1sm3 h LEU 125 Cb 0.19 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1sm3 h LEU 125 CO -0.01 0.17 0.25 -0.33 0.09 0.00 0.00 178.44 178.61 1sm3 h GLU 126 N 0.36 0.09 -0.00 1.13 5.08 -1.21 0.24 114.58 120.28 1sm3 h GLU 126 Ca 0.37 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 1sm3 h GLU 126 Cb 0.93 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.16 1sm3 h GLU 126 CO -0.11 0.06 0.00 0.25 -1.00 0.00 0.00 179.01 178.21 1sm3 n THR 127 N -4.45 0.00 -1.77 1.13 -2.24 0.64 -4.87 114.28 102.71 1sm3 n THR 127 Ca 0.05 -0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.69 1sm3 n THR 127 Cb 0.37 -0.08 -0.04 0.00 -2.10 0.00 0.00 70.33 68.49 1sm3 n THR 127 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1sm3 n ASN 128 N -0.57 -4.47 -4.24 3.42 5.03 0.84 -5.00 115.26 110.27 1sm3 n ASN 128 Ca 0.04 0.19 -0.23 0.00 0.87 0.00 0.00 54.58 55.44 1sm3 n ASN 128 Cb 0.02 -3.38 -0.13 0.00 -1.02 0.00 0.00 39.78 35.27 1sm3 n ASN 128 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1sm3 s LYS 129 N -3.83 1.12 -0.09 3.52 -0.14 -1.25 -1.09 119.74 117.98 1sm3 s LYS 129 Ca 0.00 -1.01 -0.03 0.00 -1.36 0.00 0.00 55.97 53.58 1sm3 s LYS 129 Cb 0.00 -1.26 0.04 0.00 -1.68 0.00 0.00 37.83 34.92 1sm3 s LYS 129 CO 0.00 0.30 0.06 0.00 -0.76 0.00 0.00 175.35 174.95 1sm3 s ALA 130 N -1.03 0.41 -0.15 5.17 0.00 0.99 -3.17 121.76 123.98 1sm3 s ALA 130 Ca 0.05 -0.04 -0.00 0.00 0.00 0.00 0.00 51.96 51.96 1sm3 s ALA 130 Cb -0.09 -0.78 -0.01 0.00 0.00 0.00 0.00 23.12 22.24 1sm3 s ALA 130 CO 0.03 -0.69 -0.13 0.99 0.00 0.00 0.00 175.76 175.95 1sm3 s THR 131 N 2.11 2.91 -0.18 0.00 2.01 -1.26 0.78 115.64 122.01 1sm3 s THR 131 Ca 0.04 -0.69 -0.10 0.00 0.31 0.00 0.00 61.69 61.25 1sm3 s THR 131 Cb -0.13 -2.24 -0.05 0.00 0.01 0.00 0.00 72.50 70.09 1sm3 s THR 131 CO -0.05 0.51 0.16 -0.76 -0.69 0.00 0.00 174.62 173.78 1sm3 s LEU 132 N 0.71 4.25 -0.14 4.42 1.02 -0.01 -3.64 118.68 125.30 1sm3 s LEU 132 Ca -0.06 0.32 -0.03 0.00 0.02 0.00 0.00 54.13 54.38 1sm3 s LEU 132 Cb -0.15 -2.13 -0.03 0.00 0.02 0.00 0.00 46.19 43.90 1sm3 s LEU 132 CO 0.02 0.22 -0.05 -0.69 0.02 0.00 0.00 176.35 175.86 1sm3 s VAL 133 N 0.09 3.75 -0.24 -1.59 1.01 -0.85 -1.76 120.40 120.81 1sm3 s VAL 133 Ca 0.11 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.69 1sm3 s VAL 133 Cb -0.12 -2.62 0.05 0.00 0.00 0.00 0.00 36.38 33.69 1sm3 s VAL 133 CO 0.00 0.51 -0.12 0.00 0.00 0.00 0.00 175.10 175.50 1sm3 s THR 135 N 1.17 5.23 -0.16 0.00 -4.23 0.31 -0.35 115.64 117.62 1sm3 s THR 135 Ca -0.05 -0.29 -0.04 0.00 -1.18 0.00 0.00 61.69 60.13 1sm3 s THR 135 Cb -0.18 -3.69 0.08 0.00 1.34 0.00 0.00 72.50 70.05 1sm3 s THR 135 CO -0.06 -0.06 0.23 -0.63 -0.54 0.00 0.00 174.62 173.56 1sm3 s ILE 136 N -1.74 -0.36 0.26 2.99 1.01 0.24 -1.94 121.20 121.65 1sm3 s ILE 136 Ca 0.38 0.11 0.01 0.00 0.00 0.00 0.00 60.65 61.15 1sm3 s ILE 136 Cb -0.12 -0.54 -0.05 0.00 0.01 0.00 0.00 42.46 41.77 1sm3 s ILE 136 CO 0.28 -0.03 0.10 0.42 0.00 0.00 0.00 174.94 175.71 1sm3 s THR 137 N 2.36 0.50 -1.47 2.92 -4.23 -0.43 -0.13 115.64 115.17 1sm3 s THR 137 Ca 0.04 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.45 1sm3 s THR 137 Cb -0.14 -2.62 0.05 0.00 1.34 0.00 0.00 72.50 71.13 1sm3 s THR 137 CO -0.10 0.00 0.90 0.47 -0.54 0.00 0.00 174.62 175.35 1sm3 n ASP 138 N -0.46 -5.32 -4.74 3.99 8.00 -0.43 0.07 116.55 117.66 1sm3 n ASP 138 Ca 0.00 -0.58 -0.32 0.00 0.71 0.00 0.00 54.79 54.60 1sm3 n ASP 138 Cb 0.66 -4.25 -0.07 0.00 -0.02 0.00 0.00 41.12 37.44 1sm3 n ASP 138 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1sm3 s PHE 139 N -3.23 3.17 -0.21 1.24 -0.71 -0.96 -4.26 117.98 113.02 1sm3 s PHE 139 Ca 0.55 0.11 -0.09 0.00 -1.04 0.00 0.00 56.93 56.46 1sm3 s PHE 139 Cb -0.27 -1.66 0.09 0.00 -1.21 0.00 0.00 43.02 39.97 1sm3 s PHE 139 CO 0.68 0.51 0.47 -0.47 -1.34 0.00 0.00 175.22 175.07 1sm3 s TYR 140 N -1.24 -0.85 0.79 3.49 5.04 0.00 0.05 117.35 124.63 1sm3 s TYR 140 Ca 0.24 1.64 -0.15 0.00 -2.44 0.00 0.00 57.07 56.36 1sm3 s TYR 140 Cb -0.12 0.40 0.01 0.00 0.35 0.00 0.00 41.96 42.60 1sm3 s TYR 140 CO 0.16 -0.48 0.70 -2.30 -1.34 0.00 0.00 175.55 172.29 1sm3 n PRO 141 N 5.01 0.16 -0.68 4.97 -0.02 -1.26 -0.59 135.00 142.60 1sm3 n PRO 141 Ca -0.14 0.11 -0.04 0.00 -2.02 0.00 0.00 63.50 61.41 1sm3 n PRO 141 Cb 0.52 -2.01 -0.06 0.00 -0.02 0.00 0.00 33.50 31.93 1sm3 n PRO 141 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sm3 n GLY 142 N 1.31 2.69 3.01 -1.23 0.00 -1.26 -4.80 105.19 104.92 1sm3 n GLY 142 Ca 0.10 -0.43 -0.25 0.00 0.00 0.00 0.00 46.02 45.45 1sm3 n GLY 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sm3 s VAL 143 N 0.31 1.16 -0.01 1.61 0.11 -1.26 -4.77 120.40 117.55 1sm3 s VAL 143 Ca 0.23 -0.48 -0.05 0.00 -2.93 0.00 0.00 61.98 58.75 1sm3 s VAL 143 Cb 0.11 -1.07 0.00 0.00 -1.53 0.00 0.00 36.38 33.89 1sm3 s VAL 143 CO -0.00 0.37 0.11 0.68 -3.33 0.00 0.00 175.10 172.92 1sm3 s VAL 144 N 0.81 0.06 -0.08 2.04 -7.23 -1.26 -4.50 120.40 110.24 1sm3 s VAL 144 Ca -0.12 -0.52 -0.00 0.00 -1.81 0.00 0.00 61.98 59.53 1sm3 s VAL 144 Cb -0.15 -0.33 -0.03 0.00 0.56 0.00 0.00 36.38 36.42 1sm3 s VAL 144 CO 0.02 -0.29 -0.06 0.42 -0.31 0.00 0.00 175.10 174.88 1sm3 s THR 145 N -0.96 3.77 -0.13 5.32 -4.23 -0.47 -4.97 115.64 113.97 1sm3 s THR 145 Ca -0.11 -0.45 -0.01 0.00 -1.18 0.00 0.00 61.69 59.94 1sm3 s THR 145 Cb -0.06 -2.56 -0.02 0.00 1.34 0.00 0.00 72.50 71.20 1sm3 s THR 145 CO 0.01 0.58 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.90 1sm3 s VAL 146 N -0.64 3.46 -0.07 2.29 1.01 -1.26 -0.75 120.40 124.44 1sm3 s VAL 146 Ca 0.10 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.57 1sm3 s VAL 146 Cb -0.12 -2.48 0.02 0.00 0.00 0.00 0.00 36.38 33.80 1sm3 s VAL 146 CO 0.02 0.52 -0.11 -1.81 0.00 0.00 0.00 175.10 173.72 1sm3 s ASP 147 N 0.23 1.75 -0.03 3.32 1.01 0.14 -4.96 116.67 118.13 1sm3 s ASP 147 Ca -0.06 -0.28 -0.01 0.00 0.71 0.00 0.00 52.55 52.91 1sm3 s ASP 147 Cb -0.15 -0.79 -0.04 0.00 1.01 0.00 0.00 42.92 42.96 1sm3 s ASP 147 CO 0.04 0.00 0.07 0.26 0.21 0.00 0.00 175.17 175.75 1sm3 s TRP 148 N 0.85 3.28 0.01 4.23 0.52 -1.26 0.42 118.94 127.00 1sm3 s TRP 148 Ca -0.11 0.23 0.02 0.00 0.02 0.00 0.00 56.10 56.25 1sm3 s TRP 148 Cb -0.15 -1.76 -0.01 0.00 -1.15 0.00 0.00 33.47 30.40 1sm3 s TRP 148 CO 0.01 0.55 -0.06 0.15 0.02 0.00 0.00 176.95 177.62 1sm3 s LYS 149 N -1.52 0.47 -0.24 4.98 1.02 -0.58 -1.58 119.74 122.28 1sm3 s LYS 149 Ca 0.20 -0.42 0.02 0.00 0.02 0.00 0.00 55.97 55.79 1sm3 s LYS 149 Cb -0.12 -0.36 0.06 0.00 -0.52 0.00 0.00 37.83 36.88 1sm3 s LYS 149 CO 0.11 0.09 -0.09 0.08 -0.92 0.00 0.00 175.35 174.61 1sm3 s VAL 150 N -0.63 1.88 -1.46 3.17 1.01 0.24 -1.50 120.40 123.11 1sm3 s VAL 150 Ca -0.03 -1.37 -0.09 0.00 0.00 0.00 0.00 61.98 60.49 1sm3 s VAL 150 Cb -0.05 -2.02 0.03 0.00 0.00 0.00 0.00 36.38 34.34 1sm3 s VAL 150 CO 0.00 0.00 0.88 0.47 0.00 0.00 0.00 175.10 176.46 1sm3 n ASP 151 N 4.56 -5.74 0.00 3.32 8.00 0.17 -1.59 116.55 125.27 1sm3 n ASP 151 Ca -0.14 -0.49 0.00 0.00 0.71 0.00 0.00 54.79 54.87 1sm3 n ASP 151 Cb 0.44 -4.58 0.00 0.00 -0.02 0.00 0.00 41.12 36.96 1sm3 n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sm3 n GLY 152 N -1.70 2.30 3.86 0.44 0.00 -1.26 -5.02 105.19 103.81 1sm3 n GLY 152 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 1sm3 n GLY 152 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sm3 s THR 153 N -2.74 5.21 0.14 2.61 -4.23 -0.62 -5.00 115.64 111.02 1sm3 s THR 153 Ca 0.00 0.49 -0.31 0.00 -1.18 0.00 0.00 61.69 60.69 1sm3 s THR 153 Cb 0.00 -3.60 -0.09 0.00 1.34 0.00 0.00 72.50 70.15 1sm3 s THR 153 CO 0.00 0.50 1.45 -2.16 -0.54 0.00 0.00 174.62 173.86 1sm3 s PRO 154 N -1.35 4.29 0.14 3.99 0.04 -1.26 -0.59 135.00 140.25 1sm3 s PRO 154 Ca 0.24 2.18 -0.14 0.00 0.04 0.00 0.00 61.00 63.32 1sm3 s PRO 154 Cb -0.14 -3.20 -0.07 0.00 0.04 0.00 0.00 34.50 31.12 1sm3 s PRO 154 CO 0.13 -0.48 0.54 0.14 0.04 0.00 0.00 177.00 177.36 1sm3 s VAL 155 N 0.98 4.87 0.00 -0.36 -7.23 -0.62 -4.89 120.40 113.16 1sm3 s VAL 155 Ca 0.66 0.82 0.00 0.00 -1.81 0.00 0.00 61.98 61.65 1sm3 s VAL 155 Cb -0.39 -3.74 0.00 0.00 0.56 0.00 0.00 36.38 32.81 1sm3 s VAL 155 CO 0.32 0.27 0.79 0.35 -0.31 0.00 0.00 175.10 176.51 1sm3 n THR 156 N 0.87 0.61 -3.82 5.32 -2.24 -1.26 -4.76 114.28 109.00 1sm3 n THR 156 Ca -0.06 -0.64 -0.12 0.00 -2.27 0.00 0.00 64.05 60.95 1sm3 n THR 156 Cb 0.52 0.73 -0.11 0.00 -2.10 0.00 0.00 70.33 69.37 1sm3 n THR 156 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1sm3 s GLN 157 N -0.61 0.40 0.00 -0.78 0.74 -1.26 -4.88 119.66 113.27 1sm3 s GLN 157 Ca 0.00 -0.01 0.00 0.00 0.05 0.00 0.00 55.36 55.40 1sm3 s GLN 157 Cb 0.00 0.18 0.00 0.00 1.10 0.00 0.00 33.01 34.29 1sm3 s GLN 157 CO 0.00 -0.08 0.00 0.41 -0.55 0.00 0.00 175.29 175.07 1sm3 n GLY 158 N 2.18 0.70 3.66 2.59 0.00 -1.26 -4.87 105.19 108.18 1sm3 n GLY 158 Ca -0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 1sm3 n GLY 158 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1sm3 s MET 159 N -0.06 2.80 -0.12 1.61 0.23 -1.26 -0.96 119.30 121.55 1sm3 s MET 159 Ca 0.00 -0.57 -0.04 0.00 -1.03 0.00 0.00 55.69 54.05 1sm3 s MET 159 Cb 0.00 -2.67 0.06 0.00 -1.53 0.00 0.00 34.83 30.69 1sm3 s MET 159 CO 0.00 0.65 0.24 -2.00 -2.03 0.00 0.00 175.02 171.88 1sm3 s GLU 160 N -1.28 0.13 0.02 3.16 2.56 -0.36 -4.96 118.70 117.96 1sm3 s GLU 160 Ca 0.17 0.70 0.05 0.00 0.00 0.00 0.00 54.97 55.89 1sm3 s GLU 160 Cb -0.11 -0.09 -0.03 0.00 2.00 0.00 0.00 34.13 35.90 1sm3 s GLU 160 CO 0.07 -0.28 -0.12 0.99 -0.56 0.00 0.00 175.26 175.35 1sm3 s THR 161 N 2.33 3.21 0.19 -1.70 2.01 -1.26 -1.37 115.64 119.05 1sm3 s THR 161 Ca 0.01 -0.97 -0.02 0.00 0.31 0.00 0.00 61.69 61.02 1sm3 s THR 161 Cb -0.12 -2.37 -0.05 0.00 0.01 0.00 0.00 72.50 69.97 1sm3 s THR 161 CO -0.08 0.38 0.40 0.42 -0.69 0.00 0.00 174.62 175.05 1sm3 s THR 162 N -0.95 5.18 0.12 -0.82 -4.23 -0.12 -5.01 115.64 109.81 1sm3 s THR 162 Ca 0.16 -0.23 -0.30 0.00 -1.18 0.00 0.00 61.69 60.13 1sm3 s THR 162 Cb -0.11 -3.71 -0.07 0.00 1.34 0.00 0.00 72.50 69.96 1sm3 s THR 162 CO 0.06 -0.13 1.18 0.00 -0.54 0.00 0.00 174.62 175.19 1sm3 s GLN 163 N -3.17 4.48 0.53 3.99 0.00 -1.26 -4.42 119.66 119.80 1sm3 s GLN 163 Ca 0.39 1.78 -0.19 0.00 -0.00 0.00 0.00 55.36 57.35 1sm3 s GLN 163 Cb -0.11 -3.31 -0.10 0.00 0.00 0.00 0.00 33.01 29.49 1sm3 s GLN 163 CO 0.28 -0.14 0.43 -2.30 0.00 0.00 0.00 175.29 173.56 1sm3 n PRO 164 N 3.24 0.45 -4.01 9.60 -0.02 -1.26 -4.85 135.00 138.16 1sm3 n PRO 164 Ca 0.06 0.17 -0.09 0.00 -2.02 0.00 0.00 63.50 61.62 1sm3 n PRO 164 Cb 0.46 -1.56 -0.11 0.00 -0.02 0.00 0.00 33.50 32.27 1sm3 n PRO 164 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1sm3 s SER 165 N -1.10 0.37 0.26 2.55 1.04 0.24 -4.91 113.70 112.16 1sm3 s SER 165 Ca 0.66 -0.56 -0.29 0.00 0.48 0.00 0.00 55.95 56.24 1sm3 s SER 165 Cb -0.48 0.10 -0.09 0.00 0.10 0.00 0.00 66.02 65.65 1sm3 s SER 165 CO 0.57 -0.31 0.97 -0.75 0.98 0.00 0.00 173.24 174.70 1sm3 s LYS 166 N -1.73 4.77 0.47 4.02 2.20 -1.26 -0.55 119.74 127.66 1sm3 s LYS 166 Ca -0.13 1.53 -0.01 0.00 -0.36 0.00 0.00 55.97 57.01 1sm3 s LYS 166 Cb -0.08 -3.20 -0.01 0.00 -1.51 0.00 0.00 37.83 33.04 1sm3 s LYS 166 CO -0.02 0.42 0.70 -0.65 -0.36 0.00 0.00 175.35 175.45 1sm3 s GLN 167 N -1.35 3.10 0.58 4.03 -0.21 0.22 -4.86 119.66 121.16 1sm3 s GLN 167 Ca 0.43 -0.37 0.29 0.00 0.02 0.00 0.00 55.36 55.73 1sm3 s GLN 167 Cb -0.26 -2.51 1.47 0.00 1.00 0.00 0.00 33.01 32.70 1sm3 s GLN 167 CO 0.33 -0.30 1.89 0.66 -2.12 0.00 0.00 175.29 175.74 1sm3 h SER 168 N 0.33 0.00 -0.46 5.90 4.64 -1.97 0.74 113.55 122.73 1sm3 h SER 168 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1sm3 h SER 168 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1sm3 h SER 168 CO 0.58 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.08 1sm3 n ASN 169 N -3.82 4.55 0.00 4.97 6.94 -1.26 -4.88 115.26 121.76 1sm3 n ASN 169 Ca 0.10 -2.66 0.00 0.00 -0.02 0.00 0.00 54.58 52.00 1sm3 n ASN 169 Cb 0.73 -0.62 0.00 0.00 -2.36 0.00 0.00 39.78 37.52 1sm3 n ASN 169 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1sm3 n ASN 170 N 0.55 -4.90 -4.15 0.53 3.02 0.26 -4.96 115.26 105.61 1sm3 n ASN 170 Ca 0.21 0.00 -0.24 0.00 -0.03 0.00 0.00 54.58 54.52 1sm3 n ASN 170 Cb 0.95 -2.97 0.15 0.00 -0.61 0.00 0.00 39.78 37.29 1sm3 n ASN 170 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1sm3 n LYS 171 N 0.14 -0.55 -4.45 3.52 5.02 -1.26 -4.75 118.16 115.84 1sm3 n LYS 171 Ca 0.00 -2.30 -0.24 0.00 -2.02 0.00 0.00 58.31 53.75 1sm3 n LYS 171 Cb 0.38 -0.90 -0.10 0.00 -0.02 0.00 0.00 35.03 34.39 1sm3 n LYS 171 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1sm3 s TYR 172 N -3.24 2.22 0.10 2.13 1.51 0.11 0.71 117.35 120.88 1sm3 s TYR 172 Ca 0.66 -0.36 0.04 0.00 -1.01 0.00 0.00 57.07 56.39 1sm3 s TYR 172 Cb -0.03 -0.99 -0.04 0.00 -0.11 0.00 0.00 41.96 40.80 1sm3 s TYR 172 CO 0.45 0.64 -0.10 0.00 -1.11 0.00 0.00 175.55 175.44 1sm3 s MET 173 N -3.39 0.85 0.23 -0.62 0.23 0.29 -1.31 119.30 115.58 1sm3 s MET 173 Ca 0.28 -1.19 -0.22 0.00 -1.03 0.00 0.00 55.69 53.53 1sm3 s MET 173 Cb -0.05 -0.50 0.04 0.00 -1.53 0.00 0.00 34.83 32.79 1sm3 s MET 173 CO 0.13 0.07 0.77 0.00 -2.03 0.00 0.00 175.02 173.96 1sm3 s ALA 174 N -2.60 -1.38 0.02 3.16 0.00 0.82 -0.59 121.76 121.20 1sm3 s ALA 174 Ca 0.06 -0.09 -0.09 0.00 0.00 0.00 0.00 51.96 51.84 1sm3 s ALA 174 Cb -0.02 0.79 0.00 0.00 0.00 0.00 0.00 23.12 23.90 1sm3 s ALA 174 CO -0.00 -1.00 0.19 -1.54 0.00 0.00 0.00 175.76 173.40 1sm3 s SER 175 N -2.90 0.01 0.05 0.00 1.04 -1.26 -0.59 113.70 110.05 1sm3 s SER 175 Ca 0.10 -0.26 0.01 0.00 0.48 0.00 0.00 55.95 56.28 1sm3 s SER 175 Cb -0.04 0.26 -0.03 0.00 0.10 0.00 0.00 66.02 66.31 1sm3 s SER 175 CO 0.03 -0.48 -0.06 -0.55 0.98 0.00 0.00 173.24 173.17 1sm3 s SER 176 N -1.75 0.75 -0.01 7.02 0.15 0.53 -0.95 113.70 119.44 1sm3 s SER 176 Ca -0.09 -0.74 0.02 0.00 0.70 0.00 0.00 55.95 55.83 1sm3 s SER 176 Cb -0.04 0.09 -0.00 0.00 -1.71 0.00 0.00 66.02 64.36 1sm3 s SER 176 CO -0.01 -0.36 -0.07 -0.31 1.20 0.00 0.00 173.24 173.69 1sm3 s TYR 177 N -2.44 0.65 -0.14 3.44 2.02 -0.47 -0.85 117.35 119.55 1sm3 s TYR 177 Ca -0.02 -0.13 0.02 0.00 -0.37 0.00 0.00 57.07 56.57 1sm3 s TYR 177 Cb -0.03 -0.44 0.01 0.00 -0.40 0.00 0.00 41.96 41.11 1sm3 s TYR 177 CO -0.03 -0.03 -0.20 -1.17 -1.57 0.00 0.00 175.55 172.55 1sm3 s LEU 178 N -0.04 2.00 -0.18 -1.29 2.96 -0.72 -1.22 118.68 120.18 1sm3 s LEU 178 Ca 0.01 -0.56 -0.04 0.00 -0.22 0.00 0.00 54.13 53.32 1sm3 s LEU 178 Cb -0.04 -1.35 -0.02 0.00 0.50 0.00 0.00 46.19 45.27 1sm3 s LEU 178 CO -0.00 0.05 -0.04 -0.89 -1.32 0.00 0.00 176.35 174.15 1sm3 s THR 179 N 0.94 3.69 0.11 3.68 2.01 -0.13 -0.83 115.64 125.11 1sm3 s THR 179 Ca -0.05 -0.41 0.03 0.00 0.31 0.00 0.00 61.69 61.57 1sm3 s THR 179 Cb -0.15 -2.64 -0.04 0.00 0.01 0.00 0.00 72.50 69.68 1sm3 s THR 179 CO -0.04 0.46 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.50 1sm3 s LEU 180 N 0.81 2.45 0.72 4.42 1.43 0.23 -4.71 118.68 124.03 1sm3 s LEU 180 Ca -0.01 -0.88 -0.11 0.00 -1.03 0.00 0.00 54.13 52.10 1sm3 s LEU 180 Cb -0.15 -0.26 0.02 0.00 0.03 0.00 0.00 46.19 45.84 1sm3 s LEU 180 CO 0.02 -0.31 1.07 0.42 0.23 0.00 0.00 176.35 177.78 1sm3 s THR 181 N -2.82 3.73 0.31 5.49 -4.23 -1.26 -0.01 115.64 116.85 1sm3 s THR 181 Ca 0.09 0.56 -0.00 0.00 -1.18 0.00 0.00 61.69 61.16 1sm3 s THR 181 Cb -0.00 -3.34 0.23 0.00 1.34 0.00 0.00 72.50 70.72 1sm3 s THR 181 CO -0.01 -0.74 1.94 0.00 -0.54 0.00 0.00 174.62 175.28 1sm3 h ALA 182 N -0.80 1.40 -0.21 3.99 0.00 -1.36 -2.14 119.26 120.14 1sm3 h ALA 182 Ca -0.45 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.37 1sm3 h ALA 182 Cb 1.23 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1sm3 h ALA 182 CO 0.58 0.50 0.12 -0.09 0.00 0.00 0.00 179.25 180.36 1sm3 h ARG 183 N 0.92 0.25 -0.93 0.00 2.43 -1.93 -0.85 114.38 114.27 1sm3 h ARG 183 Ca 0.24 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 1sm3 h ARG 183 Cb 0.01 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.46 1sm3 h ARG 183 CO -0.04 0.16 0.60 0.00 -1.51 0.00 0.00 179.97 179.18 1sm3 h ALA 184 N 1.09 1.31 -0.51 2.80 0.00 -1.90 -2.44 119.26 119.61 1sm3 h ALA 184 Ca 0.08 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1sm3 h ALA 184 Cb -0.01 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.38 1sm3 h ALA 184 CO -0.03 0.63 0.28 2.35 0.00 0.00 0.00 179.25 182.47 1sm3 h TRP 185 N 1.26 0.70 0.00 0.00 2.91 -0.65 -2.77 115.95 117.40 1sm3 h TRP 185 Ca 0.34 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.34 1sm3 h TRP 185 Cb -0.12 -0.22 0.00 0.00 -0.51 0.00 0.00 29.16 28.31 1sm3 h TRP 185 CO 0.00 0.52 0.00 0.93 -1.03 0.00 0.00 178.44 178.86 1sm3 h GLU 186 N 0.68 0.00 0.00 2.65 5.08 -0.90 -3.25 114.58 118.84 1sm3 h GLU 186 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1sm3 h GLU 186 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1sm3 h GLU 186 CO -0.03 0.00 -0.05 -0.09 -1.00 0.00 0.00 179.01 177.84 1sm3 h ARG 187 N 0.00 0.00 -6.52 2.33 2.43 -1.15 -3.46 114.38 108.02 1sm3 h ARG 187 Ca 0.00 0.00 -0.64 0.00 -0.81 0.00 0.00 59.98 58.53 1sm3 h ARG 187 Cb 0.72 0.00 -0.15 0.00 -0.42 0.00 0.00 29.97 30.11 1sm3 h ARG 187 CO 0.00 0.00 -0.74 -1.01 -1.51 0.00 0.00 179.97 176.71 1sm3 s HIS 188 N -3.21 2.64 -0.22 2.20 3.76 -1.23 -5.04 115.29 114.20 1sm3 s HIS 188 Ca 0.07 -0.21 0.11 0.00 -0.15 0.00 0.00 55.06 54.87 1sm3 s HIS 188 Cb 0.06 -1.33 -0.22 0.00 1.11 0.00 0.00 32.58 32.20 1sm3 s HIS 188 CO 0.67 0.47 -0.04 -1.13 -0.85 0.00 0.00 174.74 173.85 1sm3 n SER 189 N 0.34 0.91 -4.62 1.40 3.41 -1.26 -4.71 113.62 109.09 1sm3 n SER 189 Ca -0.12 -0.05 -0.34 0.00 -0.26 0.00 0.00 58.87 58.09 1sm3 n SER 189 Cb 0.54 0.34 -0.10 0.00 -0.26 0.00 0.00 64.21 64.73 1sm3 n SER 189 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1sm3 s SER 190 N -5.97 5.57 -0.01 4.04 0.15 -1.26 0.12 113.70 116.34 1sm3 s SER 190 Ca -0.21 0.07 0.01 0.00 0.70 0.00 0.00 55.95 56.52 1sm3 s SER 190 Cb 0.07 -1.95 0.00 0.00 -1.71 0.00 0.00 66.02 62.43 1sm3 s SER 190 CO 0.73 0.17 -0.04 -0.31 1.20 0.00 0.00 173.24 174.99 1sm3 s TYR 191 N 0.38 0.47 -0.07 3.44 2.02 -0.77 -0.65 117.35 122.16 1sm3 s TYR 191 Ca 0.03 -0.09 -0.04 0.00 -0.37 0.00 0.00 57.07 56.60 1sm3 s TYR 191 Cb -0.12 -0.35 0.03 0.00 -0.40 0.00 0.00 41.96 41.12 1sm3 s TYR 191 CO 0.00 -0.04 0.17 0.45 -1.57 0.00 0.00 175.55 174.56 1sm3 s SER 192 N 0.13 -0.15 -0.26 2.29 0.15 -0.56 -0.45 113.70 114.84 1sm3 s SER 192 Ca -0.01 0.34 -0.09 0.00 0.70 0.00 0.00 55.95 56.89 1sm3 s SER 192 Cb -0.05 0.27 -0.04 0.00 -1.71 0.00 0.00 66.02 64.50 1sm3 s SER 192 CO -0.00 -0.12 0.13 0.00 1.20 0.00 0.00 173.24 174.45 1sm3 s GLN 194 N 1.68 3.08 -0.33 0.00 -0.21 0.17 -1.81 119.66 122.23 1sm3 s GLN 194 Ca 0.07 -0.79 -0.03 0.00 0.02 0.00 0.00 55.36 54.63 1sm3 s GLN 194 Cb -0.15 -2.69 0.06 0.00 1.00 0.00 0.00 33.01 31.23 1sm3 s GLN 194 CO 0.07 -0.21 0.06 0.08 -2.12 0.00 0.00 175.29 173.17 1sm3 s VAL 195 N 1.34 3.17 -0.21 1.09 1.01 0.20 0.29 120.40 127.28 1sm3 s VAL 195 Ca 0.05 -1.50 -0.22 0.00 0.00 0.00 0.00 61.98 60.31 1sm3 s VAL 195 Cb -0.13 -2.90 -0.02 0.00 0.00 0.00 0.00 36.38 33.33 1sm3 s VAL 195 CO -0.10 -0.25 0.70 -0.89 0.00 0.00 0.00 175.10 174.56 1sm3 s THR 196 N 1.25 4.96 -0.25 3.92 2.01 0.07 -0.23 115.64 127.37 1sm3 s THR 196 Ca -0.02 1.32 -0.01 0.00 0.31 0.00 0.00 61.69 63.29 1sm3 s THR 196 Cb -0.20 -4.00 0.07 0.00 0.01 0.00 0.00 72.50 68.38 1sm3 s THR 196 CO -0.01 0.05 0.03 -2.28 -0.69 0.00 0.00 174.62 171.72 1sm3 s HIS 197 N 2.19 1.73 -1.13 4.92 5.04 -0.24 -1.36 115.29 126.44 1sm3 s HIS 197 Ca 0.31 -1.47 -0.01 0.00 -1.54 0.00 0.00 55.06 52.35 1sm3 s HIS 197 Cb -0.16 -1.47 0.00 0.00 0.04 0.00 0.00 32.58 30.99 1sm3 s HIS 197 CO 0.10 -0.75 0.94 0.39 -2.34 0.00 0.00 174.74 173.08 1sm3 n GLU 198 N 4.85 -6.25 -0.95 2.88 -0.58 -1.26 -3.17 120.64 116.15 1sm3 n GLU 198 Ca -0.07 0.79 0.00 0.00 -0.42 0.00 0.00 57.16 57.46 1sm3 n GLU 198 Cb 0.44 -5.63 0.00 0.00 -0.57 0.00 0.00 31.44 25.68 1sm3 n GLU 198 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1sm3 n GLY 199 N -1.18 0.96 3.16 0.62 0.00 -1.26 -4.98 105.19 102.51 1sm3 n GLY 199 Ca -0.25 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.45 1sm3 n GLY 199 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1sm3 s HIS 200 N -3.79 2.62 -0.22 1.61 3.76 -1.19 -5.11 115.29 112.97 1sm3 s HIS 200 Ca 0.00 -1.31 -0.18 0.00 -0.15 0.00 0.00 55.06 53.41 1sm3 s HIS 200 Cb 0.00 -1.79 -0.03 0.00 1.11 0.00 0.00 32.58 31.88 1sm3 s HIS 200 CO 0.00 -0.60 0.53 0.99 -0.85 0.00 0.00 174.74 174.81 1sm3 s THR 201 N 0.82 5.09 -0.21 1.30 2.01 -1.26 -1.08 115.64 122.30 1sm3 s THR 201 Ca -0.07 0.95 -0.09 0.00 0.31 0.00 0.00 61.69 62.79 1sm3 s THR 201 Cb -0.16 -3.85 -0.04 0.00 0.01 0.00 0.00 72.50 68.46 1sm3 s THR 201 CO -0.02 0.14 0.10 -0.69 -0.69 0.00 0.00 174.62 173.47 1sm3 s VAL 202 N 1.86 5.02 0.04 3.82 1.01 0.68 -4.93 120.40 127.91 1sm3 s VAL 202 Ca 0.24 0.05 0.05 0.00 0.00 0.00 0.00 61.98 62.32 1sm3 s VAL 202 Cb -0.15 -3.30 -0.02 0.00 0.00 0.00 0.00 36.38 32.91 1sm3 s VAL 202 CO 0.09 0.42 -0.15 -0.70 0.00 0.00 0.00 175.10 174.77 1sm3 s GLU 203 N 0.64 0.96 0.07 2.72 2.12 -1.26 -0.63 118.70 123.32 1sm3 s GLU 203 Ca 0.05 -0.78 0.07 0.00 0.36 0.00 0.00 54.97 54.67 1sm3 s GLU 203 Cb -0.13 -0.98 -0.03 0.00 0.26 0.00 0.00 34.13 33.26 1sm3 s GLU 203 CO 0.01 0.24 -0.18 0.15 -0.54 0.00 0.00 175.26 174.94 1sm3 s LYS 204 N -1.17 1.06 0.06 4.30 -0.14 -0.75 -5.00 119.74 118.09 1sm3 s LYS 204 Ca 0.02 -0.99 0.01 0.00 -1.36 0.00 0.00 55.97 53.65 1sm3 s LYS 204 Cb -0.08 -1.18 -0.03 0.00 -1.68 0.00 0.00 37.83 34.85 1sm3 s LYS 204 CO 0.01 0.28 -0.06 -1.12 -0.76 0.00 0.00 175.35 173.70 1sm3 s SER 205 N -1.57 0.82 -0.06 2.83 0.01 -1.26 -0.47 113.70 113.99 1sm3 s SER 205 Ca 0.04 -0.74 0.05 0.00 1.31 0.00 0.00 55.95 56.61 1sm3 s SER 205 Cb -0.09 0.08 -0.01 0.00 0.21 0.00 0.00 66.02 66.21 1sm3 s SER 205 CO 0.03 -0.35 -0.22 -0.76 0.41 0.00 0.00 173.24 172.35 1sm3 s LEU 206 N -2.18 2.23 -0.15 2.44 1.43 0.40 -4.99 118.68 117.86 1sm3 s LEU 206 Ca -0.02 -0.45 -0.06 0.00 -1.03 0.00 0.00 54.13 52.58 1sm3 s LEU 206 Cb -0.03 -1.42 -0.04 0.00 0.03 0.00 0.00 46.19 44.73 1sm3 s LEU 206 CO -0.03 0.25 0.03 -0.55 0.23 0.00 0.00 176.35 176.29 1sm3 s SER 207 N -0.20 5.43 0.00 2.29 0.15 -1.26 -1.85 113.70 118.26 1sm3 s SER 207 Ca -0.02 0.08 0.06 0.00 0.70 0.00 0.00 55.95 56.77 1sm3 s SER 207 Cb -0.13 -1.84 0.05 0.00 -1.71 0.00 0.00 66.02 62.39 1sm3 s SER 207 CO 0.03 0.23 0.69 -1.14 1.20 0.00 0.00 173.24 174.25