#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5i s SER 2 N 0.00 -0.10 0.24 1.61 0.01 -1.26 -5.17 113.70 109.03 1x5i s SER 2 Ca 0.00 0.09 -0.22 0.00 1.31 0.00 0.00 55.95 57.13 1x5i s SER 2 Cb 0.00 0.31 0.04 0.00 0.21 0.00 0.00 66.02 66.58 1x5i s SER 2 CO 0.00 -0.26 0.81 -0.55 0.41 0.00 0.00 173.24 173.65 1x5i s SER 3 N -0.75 -0.21 0.16 2.44 0.15 -1.26 -5.17 113.70 109.06 1x5i s SER 3 Ca -0.08 -0.57 -0.06 0.00 0.70 0.00 0.00 55.95 55.93 1x5i s SER 3 Cb -0.05 0.65 -0.06 0.00 -1.71 0.00 0.00 66.02 64.86 1x5i s SER 3 CO 0.01 -1.22 0.42 -0.83 1.20 0.00 0.00 173.24 172.83 1x5i s GLY 4 N -2.94 2.25 0.05 9.45 0.00 -1.26 -5.09 107.32 109.77 1x5i s GLY 4 Ca 0.12 -0.49 -0.27 0.00 0.00 0.00 0.00 44.72 44.08 1x5i s GLY 4 CO 0.06 -0.39 0.81 -0.56 0.00 0.00 0.00 173.10 173.01 1x5i s SER 5 N -2.40 -0.41 -0.56 1.64 0.01 -1.26 -4.99 113.70 105.73 1x5i s SER 5 Ca 0.42 -0.02 -0.03 0.00 1.31 0.00 0.00 55.95 57.63 1x5i s SER 5 Cb -0.12 0.45 0.00 0.00 0.21 0.00 0.00 66.02 66.57 1x5i s SER 5 CO 0.24 -0.74 0.48 -0.24 0.41 0.00 0.00 173.24 173.39 1x5i n SER 6 N -0.29 -3.41 -4.70 2.44 2.88 -1.26 -5.02 113.62 104.26 1x5i n SER 6 Ca -0.11 -0.24 -0.36 0.00 -1.33 0.00 0.00 58.87 56.84 1x5i n SER 6 Cb 0.63 -2.42 -0.09 0.00 -0.75 0.00 0.00 64.21 61.58 1x5i n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x5i s GLY 7 N -3.24 2.01 0.10 0.46 0.00 -1.26 -5.06 107.32 100.32 1x5i s GLY 7 Ca 0.19 -0.78 -0.31 0.00 0.00 0.00 0.00 44.72 43.82 1x5i s GLY 7 CO 0.31 0.25 1.37 2.56 0.00 0.00 0.00 173.10 177.59 1x5i s PRO 8 N 0.66 4.33 -0.23 2.90 0.04 -1.26 -5.01 135.00 136.43 1x5i s PRO 8 Ca 0.08 2.03 -0.04 0.00 0.04 0.00 0.00 61.00 63.11 1x5i s PRO 8 Cb -0.12 -3.30 0.08 0.00 0.04 0.00 0.00 34.50 31.20 1x5i s PRO 8 CO 0.01 -0.44 0.10 0.00 0.04 0.00 0.00 177.00 176.71 1x5i s ALA 9 N 1.26 0.61 -0.62 8.56 0.00 -1.26 -5.09 121.76 125.21 1x5i s ALA 9 Ca 0.64 -0.74 -0.15 0.00 0.00 0.00 0.00 51.96 51.71 1x5i s ALA 9 Cb -0.35 -1.23 0.16 0.00 0.00 0.00 0.00 23.12 21.69 1x5i s ALA 9 CO 0.30 -1.40 0.57 0.99 0.00 0.00 0.00 175.76 176.21 1x5i s THR 10 N 2.08 5.23 -0.14 0.00 2.01 -1.26 -5.03 115.64 118.52 1x5i s THR 10 Ca 0.05 -1.84 -0.29 0.00 0.31 0.00 0.00 61.69 59.92 1x5i s THR 10 Cb -0.16 -4.32 -0.05 0.00 0.01 0.00 0.00 72.50 67.98 1x5i s THR 10 CO -0.22 -0.91 1.77 -0.62 -0.69 0.00 0.00 174.62 173.95 1x5i s ASP 11 N 3.04 6.33 1.05 3.53 2.15 -1.26 -4.97 116.67 126.53 1x5i s ASP 11 Ca 0.08 1.99 -0.12 0.00 0.43 0.00 0.00 52.55 54.93 1x5i s ASP 11 Cb -0.24 -2.53 0.22 0.00 -0.30 0.00 0.00 42.92 40.07 1x5i s ASP 11 CO -0.01 -1.25 1.07 0.26 -0.17 0.00 0.00 175.17 175.07 1x5i s TRP 12 N 5.24 1.65 0.05 -5.34 0.52 -1.26 -5.05 118.94 114.76 1x5i s TRP 12 Ca 0.79 1.31 0.08 0.00 0.02 0.00 0.00 56.10 58.30 1x5i s TRP 12 Cb -0.31 -3.17 -0.03 0.00 -1.15 0.00 0.00 33.47 28.80 1x5i s TRP 12 CO 0.32 -3.29 -0.23 -0.48 0.02 0.00 0.00 176.95 173.29 1x5i s LEU 13 N -6.84 2.36 0.15 2.99 2.34 -1.26 -5.10 118.68 113.32 1x5i s LEU 13 Ca 0.67 -0.53 -0.31 0.00 0.06 0.00 0.00 54.13 54.02 1x5i s LEU 13 Cb -0.23 -1.38 -0.09 0.00 -0.56 0.00 0.00 46.19 43.94 1x5i s LEU 13 CO 0.61 0.25 1.42 -0.55 -1.06 0.00 0.00 176.35 177.02 1x5i s SER 14 N -1.36 6.77 -0.30 1.48 0.15 -1.26 -4.99 113.70 114.19 1x5i s SER 14 Ca 0.13 2.43 -0.16 0.00 0.70 0.00 0.00 55.95 59.05 1x5i s SER 14 Cb -0.10 -2.59 0.17 0.00 -1.71 0.00 0.00 66.02 61.78 1x5i s SER 14 CO 0.04 -0.67 1.05 0.00 1.20 0.00 0.00 173.24 174.85 1x5i s ALA 15 N 0.86 -2.73 0.16 5.45 0.00 -1.26 -5.14 121.76 119.10 1x5i s ALA 15 Ca 0.64 2.03 -0.32 0.00 0.00 0.00 0.00 51.96 54.30 1x5i s ALA 15 Cb -0.39 -2.04 -0.12 0.00 0.00 0.00 0.00 23.12 20.57 1x5i s ALA 15 CO 0.33 -0.84 1.72 -1.91 0.00 0.00 0.00 175.76 175.06 1x5i n GLU 16 N 4.63 2.59 -3.65 0.00 2.13 -1.26 -4.95 120.64 120.13 1x5i n GLU 16 Ca -0.10 0.94 -0.38 0.00 0.66 0.00 0.00 57.16 58.27 1x5i n GLU 16 Cb 0.54 -2.77 -0.08 0.00 0.27 0.00 0.00 31.44 29.40 1x5i n GLU 16 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1x5i s THR 17 N 1.58 4.07 0.92 6.31 -4.23 -1.26 -5.08 115.64 117.95 1x5i s THR 17 Ca 0.78 -2.88 -0.12 0.00 -1.18 0.00 0.00 61.69 58.29 1x5i s THR 17 Cb -0.56 -3.62 0.14 0.00 1.34 0.00 0.00 72.50 69.81 1x5i s THR 17 CO 0.36 -0.91 1.12 0.12 -0.54 0.00 0.00 174.62 174.77 1x5i s PHE 18 N -0.03 2.45 0.22 3.99 5.36 -1.26 -4.98 117.98 123.72 1x5i s PHE 18 Ca 0.17 0.94 -0.30 0.00 -0.96 0.00 0.00 56.93 56.78 1x5i s PHE 18 Cb -0.18 -3.32 -0.09 0.00 -0.34 0.00 0.00 43.02 39.09 1x5i s PHE 18 CO -0.04 -2.42 1.34 -2.00 -1.46 0.00 0.00 175.22 170.64 1x5i s GLU 19 N -5.18 4.36 -1.27 10.12 -6.30 -1.26 -4.90 118.70 114.26 1x5i s GLU 19 Ca 0.64 2.12 -0.08 0.00 -2.50 0.00 0.00 54.97 55.14 1x5i s GLU 19 Cb -0.16 -3.17 -0.07 0.00 0.00 0.00 0.00 34.13 30.73 1x5i s GLU 19 CO 0.55 -0.29 2.95 0.43 0.02 0.00 0.00 175.26 178.91 1x5i n SER 20 N 2.50 8.01 -3.18 -1.70 7.64 -1.26 -4.67 113.62 120.97 1x5i n SER 20 Ca 0.06 -2.70 0.05 0.00 1.01 0.00 0.00 58.87 57.29 1x5i n SER 20 Cb 0.42 -1.49 -0.02 0.00 -1.01 0.00 0.00 64.21 62.11 1x5i n SER 20 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1x5i s ASP 21 N 1.71 -0.39 0.28 6.43 2.15 -1.26 -5.18 116.67 120.41 1x5i s ASP 21 Ca 0.66 0.29 0.03 0.00 0.43 0.00 0.00 52.55 53.96 1x5i s ASP 21 Cb 0.21 1.35 -0.04 0.00 -0.30 0.00 0.00 42.92 44.14 1x5i s ASP 21 CO -0.07 -0.07 0.18 -0.76 -0.17 0.00 0.00 175.17 174.28 1x5i s LEU 22 N 2.84 1.55 -0.60 -1.34 1.02 -1.26 -5.09 118.68 115.78 1x5i s LEU 22 Ca -0.02 -1.56 -0.19 0.00 0.02 0.00 0.00 54.13 52.38 1x5i s LEU 22 Cb -0.09 0.33 0.10 0.00 0.02 0.00 0.00 46.19 46.56 1x5i s LEU 22 CO -0.11 -0.92 0.74 -0.62 0.02 0.00 0.00 176.35 175.46 1x5i s ASP 23 N -3.31 6.19 -0.17 2.29 -1.08 -0.33 -4.84 116.67 115.41 1x5i s ASP 23 Ca 0.38 -1.39 0.14 0.00 -0.52 0.00 0.00 52.55 51.17 1x5i s ASP 23 Cb 0.05 -2.32 0.43 0.00 -1.46 0.00 0.00 42.92 39.62 1x5i s ASP 23 CO 0.18 -1.16 1.20 1.21 0.52 0.00 0.00 175.17 177.13 1x5i n GLU 24 N 6.52 1.42 -0.00 4.34 2.13 -1.26 -1.08 120.64 132.70 1x5i n GLU 24 Ca -0.08 -3.10 0.08 0.00 0.66 0.00 0.00 57.16 54.72 1x5i n GLU 24 Cb 0.43 -1.31 -0.11 0.00 0.27 0.00 0.00 31.44 30.72 1x5i n GLU 24 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1x5i n THR 25 N -0.69 0.00 -4.23 6.31 -2.24 -1.26 -4.64 114.28 107.53 1x5i n THR 25 Ca 0.18 -0.27 -0.15 0.00 -2.27 0.00 0.00 64.05 61.54 1x5i n THR 25 Cb 0.83 0.50 -0.11 0.00 -2.10 0.00 0.00 70.33 69.45 1x5i n THR 25 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x5i s ARG 26 N -2.87 1.00 0.49 -0.78 1.04 -1.26 -4.94 118.95 111.63 1x5i s ARG 26 Ca -0.01 -1.31 -0.21 0.00 -1.04 0.00 0.00 55.73 53.16 1x5i s ARG 26 Cb 0.11 -0.69 -0.07 0.00 -2.04 0.00 0.00 34.95 32.27 1x5i s ARG 26 CO 0.67 0.11 1.12 0.14 -0.04 0.00 0.00 175.30 177.30 1x5i s VAL 27 N -2.74 3.28 -0.62 4.99 -7.23 -1.26 -4.76 120.40 112.05 1x5i s VAL 27 Ca 0.12 0.86 -0.26 0.00 -1.81 0.00 0.00 61.98 60.89 1x5i s VAL 27 Cb -0.01 -3.39 -0.02 0.00 0.56 0.00 0.00 36.38 33.52 1x5i s VAL 27 CO 0.01 -0.11 1.87 -2.16 -0.31 0.00 0.00 175.10 174.40 1x5i s PRO 28 N -3.01 2.62 0.98 4.82 0.04 -1.26 -4.90 135.00 134.28 1x5i s PRO 28 Ca 0.68 0.57 -0.14 0.00 0.04 0.00 0.00 61.00 62.15 1x5i s PRO 28 Cb -0.24 -4.42 0.03 0.00 0.04 0.00 0.00 34.50 29.91 1x5i s PRO 28 CO 0.29 -2.77 0.23 -0.85 0.04 0.00 0.00 177.00 173.93 1x5i n GLU 29 N 9.18 -0.48 -0.98 4.56 0.00 -1.26 -4.25 120.64 127.41 1x5i n GLU 29 Ca 0.21 -0.11 -0.34 0.00 0.00 0.00 0.00 57.16 56.92 1x5i n GLU 29 Cb 0.52 -1.76 -0.02 0.00 0.00 0.00 0.00 31.44 30.18 1x5i n GLU 29 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68 1x5i n VAL 30 N -3.65 1.25 -1.08 3.84 3.14 -1.26 -4.81 118.33 115.77 1x5i n VAL 30 Ca 0.05 -0.31 -0.30 0.00 -2.96 0.00 0.00 64.34 60.81 1x5i n VAL 30 Cb 0.55 0.00 0.24 0.00 -1.06 0.00 0.00 33.84 33.58 1x5i n VAL 30 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1x5i s PRO 31 N -0.63 -1.34 0.19 1.45 0.04 -1.26 -4.86 135.00 128.59 1x5i s PRO 31 Ca 0.46 -0.11 -0.12 0.00 0.04 0.00 0.00 61.00 61.28 1x5i s PRO 31 Cb -0.67 -1.59 0.15 0.00 0.04 0.00 0.00 34.50 32.43 1x5i s PRO 31 CO 0.39 -3.78 1.82 1.03 0.04 0.00 0.00 177.00 176.50 1x5i h SER 32 N -2.63 0.58 -5.76 6.66 0.87 -1.69 -3.47 113.55 108.10 1x5i h SER 32 Ca -0.44 0.01 0.32 0.00 -1.23 0.00 0.00 61.79 60.44 1x5i h SER 32 Cb 1.29 -0.12 -0.07 0.00 -0.44 0.00 0.00 62.40 63.06 1x5i h SER 32 CO 0.32 0.40 0.84 -0.94 -0.53 0.00 0.00 176.83 176.93 1x5i s SER 33 N -5.64 -0.01 -0.05 6.23 1.04 -1.26 -5.03 113.70 108.98 1x5i s SER 33 Ca -0.13 -0.25 -0.02 0.00 0.48 0.00 0.00 55.95 56.03 1x5i s SER 33 Cb 0.14 0.20 0.04 0.00 0.10 0.00 0.00 66.02 66.49 1x5i s SER 33 CO 0.75 -0.39 0.10 -0.22 0.98 0.00 0.00 173.24 174.46 1x5i s LEU 34 N -3.57 0.78 0.04 2.42 2.96 -1.26 -3.14 118.68 116.91 1x5i s LEU 34 Ca 0.25 0.19 0.08 0.00 -0.22 0.00 0.00 54.13 54.43 1x5i s LEU 34 Cb 0.00 0.17 -0.03 0.00 0.50 0.00 0.00 46.19 46.83 1x5i s LEU 34 CO -0.01 -0.15 -0.22 -2.28 -1.32 0.00 0.00 176.35 172.37 1x5i s HIS 35 N 1.25 2.45 -0.06 5.38 5.65 0.25 -5.00 115.29 125.21 1x5i s HIS 35 Ca -0.08 -0.32 -0.04 0.00 0.25 0.00 0.00 55.06 54.87 1x5i s HIS 35 Cb -0.12 -1.43 0.02 0.00 -1.18 0.00 0.00 32.58 29.87 1x5i s HIS 35 CO -0.05 0.20 0.15 0.14 -0.65 0.00 0.00 174.74 174.53 1x5i s VAL 36 N -0.87 -0.02 -0.28 0.89 -7.23 -1.26 0.48 120.40 112.11 1x5i s VAL 36 Ca 0.13 0.08 0.01 0.00 -1.81 0.00 0.00 61.98 60.39 1x5i s VAL 36 Cb -0.10 -0.23 0.06 0.00 0.56 0.00 0.00 36.38 36.67 1x5i s VAL 36 CO 0.04 0.03 -0.06 -0.60 -0.31 0.00 0.00 175.10 174.20 1x5i s ARG 37 N 0.56 2.32 0.00 4.82 3.52 0.44 -4.95 118.95 125.66 1x5i s ARG 37 Ca -0.04 -1.32 -0.30 0.00 -0.13 0.00 0.00 55.73 53.94 1x5i s ARG 37 Cb -0.06 -3.03 -0.06 0.00 -1.56 0.00 0.00 34.95 30.25 1x5i s ARG 37 CO -0.03 -0.60 1.45 -1.25 -0.81 0.00 0.00 175.30 174.06 1x5i s PRO 38 N 1.17 4.26 0.19 5.12 0.04 -1.26 -0.84 135.00 143.68 1x5i s PRO 38 Ca -0.07 2.03 0.11 0.00 0.04 0.00 0.00 61.00 63.10 1x5i s PRO 38 Cb -0.20 -3.60 -0.04 0.00 0.04 0.00 0.00 34.50 30.70 1x5i s PRO 38 CO -0.03 -0.62 -0.21 -0.51 0.04 0.00 0.00 177.00 175.67 1x5i s LEU 39 N 2.54 2.56 0.00 -3.56 1.02 0.16 -4.43 118.68 116.97 1x5i s LEU 39 Ca 0.66 -0.81 0.00 0.00 0.02 0.00 0.00 54.13 54.00 1x5i s LEU 39 Cb -0.33 -1.28 0.00 0.00 0.02 0.00 0.00 46.19 44.61 1x5i s LEU 39 CO 0.27 0.11 0.52 0.52 0.02 0.00 0.00 176.35 177.80 1x5i n VAL 40 N 0.19 0.00 -1.28 -1.59 0.31 -1.26 -2.10 118.33 112.60 1x5i n VAL 40 Ca -0.12 0.81 0.07 0.00 -0.01 0.00 0.00 64.34 65.08 1x5i n VAL 40 Cb 0.56 -1.09 0.19 0.00 -0.91 0.00 0.00 33.84 32.58 1x5i n VAL 40 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1x5i n THR 41 N -2.25 2.14 -4.09 2.52 -2.24 -1.26 -3.93 114.28 105.17 1x5i n THR 41 Ca 0.00 -2.58 -0.15 0.00 -2.27 0.00 0.00 64.05 59.05 1x5i n THR 41 Cb 0.00 -0.25 -0.04 0.00 -2.10 0.00 0.00 70.33 67.94 1x5i n THR 41 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1x5i s SER 42 N -2.81 0.93 -0.29 3.42 1.04 -0.89 -3.32 113.70 111.79 1x5i s SER 42 Ca 0.37 -1.49 0.01 0.00 0.48 0.00 0.00 55.95 55.32 1x5i s SER 42 Cb 0.33 0.67 0.18 0.00 0.10 0.00 0.00 66.02 67.30 1x5i s SER 42 CO 0.00 -1.31 0.52 -0.63 0.98 0.00 0.00 173.24 172.80 1x5i s ILE 43 N -3.02 -0.86 -0.70 -1.02 1.01 -0.79 0.38 121.20 116.21 1x5i s ILE 43 Ca 0.30 -0.07 -0.27 0.00 0.00 0.00 0.00 60.65 60.62 1x5i s ILE 43 Cb -0.01 -0.97 0.01 0.00 0.01 0.00 0.00 42.46 41.51 1x5i s ILE 43 CO 0.20 -0.08 1.46 -0.69 0.00 0.00 0.00 174.94 175.83 1x5i s VAL 44 N 2.73 3.61 -0.45 2.92 1.01 -0.02 -2.62 120.40 127.58 1x5i s VAL 44 Ca 0.14 0.35 -0.22 0.00 0.00 0.00 0.00 61.98 62.25 1x5i s VAL 44 Cb -0.13 -4.62 0.03 0.00 0.00 0.00 0.00 36.38 31.66 1x5i s VAL 44 CO -0.23 -1.57 0.73 -0.69 0.00 0.00 0.00 175.10 173.34 1x5i s VAL 45 N 6.76 4.71 -0.24 2.92 1.01 0.10 -0.42 120.40 135.24 1x5i s VAL 45 Ca 0.45 0.26 -0.03 0.00 0.00 0.00 0.00 61.98 62.66 1x5i s VAL 45 Cb -0.09 -4.29 0.01 0.00 0.00 0.00 0.00 36.38 32.01 1x5i s VAL 45 CO 0.17 -0.70 -0.04 -0.94 0.00 0.00 0.00 175.10 173.59 1x5i s SER 46 N 2.14 4.36 0.45 3.32 1.04 0.18 0.04 113.70 125.23 1x5i s SER 46 Ca 0.27 -0.65 0.05 0.00 0.48 0.00 0.00 55.95 56.10 1x5i s SER 46 Cb -0.13 -1.72 -0.05 0.00 0.10 0.00 0.00 66.02 64.23 1x5i s SER 46 CO 0.21 -0.09 0.08 -1.66 0.98 0.00 0.00 173.24 172.76 1x5i s TRP 47 N 1.41 2.30 0.08 5.02 -2.14 -0.80 0.84 118.94 125.65 1x5i s TRP 47 Ca 0.03 -0.74 0.04 0.00 2.66 0.00 0.00 56.10 58.09 1x5i s TRP 47 Cb -0.16 -1.79 -0.03 0.00 -3.10 0.00 0.00 33.47 28.39 1x5i s TRP 47 CO -0.03 0.26 -0.10 0.95 -2.66 0.00 0.00 176.95 175.36 1x5i s THR 48 N -2.73 0.88 0.85 0.66 -4.23 -1.19 -4.74 115.64 105.14 1x5i s THR 48 Ca 0.29 -1.48 -0.11 0.00 -1.18 0.00 0.00 61.69 59.21 1x5i s THR 48 Cb 0.05 -1.17 0.10 0.00 1.34 0.00 0.00 72.50 72.83 1x5i s THR 48 CO 0.15 -0.47 1.09 -2.16 -0.54 0.00 0.00 174.62 172.69 1x5i s PRO 49 N -2.40 1.63 -0.02 3.99 0.04 -1.26 -4.08 135.00 132.89 1x5i s PRO 49 Ca 0.01 0.95 -0.30 0.00 0.04 0.00 0.00 61.00 61.70 1x5i s PRO 49 Cb -0.05 -1.84 -0.05 0.00 0.04 0.00 0.00 34.50 32.59 1x5i s PRO 49 CO 0.00 -2.02 1.46 -1.25 0.04 0.00 0.00 177.00 175.24 1x5i s PRO 50 N -4.92 4.25 0.32 0.56 0.04 -1.26 -3.22 135.00 130.77 1x5i s PRO 50 Ca 0.63 2.02 0.24 0.00 0.04 0.00 0.00 61.00 63.92 1x5i s PRO 50 Cb -0.18 -3.67 1.10 0.00 0.04 0.00 0.00 34.50 31.79 1x5i s PRO 50 CO 0.57 -0.66 1.15 -1.91 0.04 0.00 0.00 177.00 176.19 1x5i n GLU 51 N 5.84 -0.03 -2.99 4.56 2.13 -1.26 -2.50 120.64 126.39 1x5i n GLU 51 Ca 0.14 0.92 -0.44 0.00 0.66 0.00 0.00 57.16 58.44 1x5i n GLU 51 Cb 0.43 -1.81 -0.01 0.00 0.27 0.00 0.00 31.44 30.32 1x5i n GLU 51 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 1x5i s ASN 52 N -4.35 6.91 0.34 4.31 3.84 -1.26 -4.84 114.94 119.90 1x5i s ASN 52 Ca -0.05 -2.67 0.02 0.00 0.21 0.00 0.00 52.86 50.36 1x5i s ASN 52 Cb 0.23 -2.37 0.61 0.00 -0.55 0.00 0.00 41.25 39.17 1x5i s ASN 52 CO 0.60 -0.82 1.98 1.56 -2.79 0.00 0.00 177.10 177.64 1x5i h GLN 53 N 7.78 0.81 -1.62 0.43 1.08 -1.89 -2.53 115.11 119.16 1x5i h GLN 53 Ca 0.23 -0.07 0.50 0.00 -1.45 0.00 0.00 58.65 57.87 1x5i h GLN 53 Cb 0.94 -0.17 -0.10 0.00 -0.05 0.00 0.00 27.48 28.10 1x5i h GLN 53 CO 1.15 0.57 1.12 0.09 -0.95 0.00 0.00 178.83 180.81 1x5i n ASN 54 N -4.41 0.09 -4.72 1.46 5.03 -1.26 -4.23 115.26 107.21 1x5i n ASN 54 Ca 0.06 1.09 -0.42 0.00 0.87 0.00 0.00 54.58 56.18 1x5i n ASN 54 Cb 0.07 -0.54 -0.03 0.00 -1.02 0.00 0.00 39.78 38.26 1x5i n ASN 54 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1x5i s ILE 55 N -4.91 4.20 0.25 2.41 1.01 -0.96 -1.19 121.20 122.02 1x5i s ILE 55 Ca -0.06 1.65 -0.30 0.00 0.00 0.00 0.00 60.65 61.94 1x5i s ILE 55 Cb 0.27 -4.05 -0.10 0.00 0.01 0.00 0.00 42.46 38.59 1x5i s ILE 55 CO 0.81 0.16 1.36 -0.69 0.00 0.00 0.00 174.94 176.59 1x5i s VAL 56 N 0.76 2.86 -0.28 2.92 1.01 -0.24 -4.91 120.40 122.52 1x5i s VAL 56 Ca 0.55 0.75 -0.02 0.00 0.00 0.00 0.00 61.98 63.26 1x5i s VAL 56 Cb -0.27 -3.48 0.09 0.00 0.00 0.00 0.00 36.38 32.72 1x5i s VAL 56 CO 0.30 0.13 0.09 -0.69 0.00 0.00 0.00 175.10 174.93 1x5i s VAL 57 N -0.23 0.60 0.23 2.92 1.01 -1.26 -4.60 120.40 119.06 1x5i s VAL 57 Ca 0.56 -1.06 -0.01 0.00 0.00 0.00 0.00 61.98 61.47 1x5i s VAL 57 Cb -0.40 -1.37 0.00 0.00 0.00 0.00 0.00 36.38 34.61 1x5i s VAL 57 CO 0.44 -0.56 1.60 0.03 0.00 0.00 0.00 175.10 176.60 1x5i h ARG 58 N 8.19 0.53 0.00 2.72 2.47 -1.92 -3.45 114.38 122.92 1x5i h ARG 58 Ca -0.16 -0.27 0.00 0.00 -1.26 0.00 0.00 59.98 58.29 1x5i h ARG 58 Cb 1.04 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.37 1x5i h ARG 58 CO 0.43 0.85 0.00 0.41 0.56 0.00 0.00 179.97 182.22 1x5i n GLY 59 N -0.03 -1.29 3.22 0.04 0.00 -1.18 -3.48 105.19 102.48 1x5i n GLY 59 Ca -0.02 -0.91 -0.16 0.00 0.00 0.00 0.00 46.02 44.94 1x5i n GLY 59 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x5i s TYR 60 N -2.82 1.25 -0.20 1.61 1.51 -1.24 -2.55 117.35 114.91 1x5i s TYR 60 Ca 0.00 -0.65 0.01 0.00 -1.01 0.00 0.00 57.07 55.41 1x5i s TYR 60 Cb 0.00 -0.65 0.02 0.00 -0.11 0.00 0.00 41.96 41.22 1x5i s TYR 60 CO 0.00 0.08 -0.17 0.00 -1.11 0.00 0.00 175.55 174.35 1x5i s ALA 61 N -2.64 2.42 0.03 3.71 0.00 -0.25 -3.34 121.76 121.68 1x5i s ALA 61 Ca 0.10 -1.29 -0.03 0.00 0.00 0.00 0.00 51.96 50.74 1x5i s ALA 61 Cb -0.02 -1.30 -0.04 0.00 0.00 0.00 0.00 23.12 21.76 1x5i s ALA 61 CO 0.01 -0.48 0.23 0.42 0.00 0.00 0.00 175.76 175.94 1x5i s ILE 62 N 1.29 5.36 -0.01 0.00 1.01 0.48 -1.69 121.20 127.65 1x5i s ILE 62 Ca 0.03 -0.10 0.01 0.00 0.00 0.00 0.00 60.65 60.59 1x5i s ILE 62 Cb -0.14 -3.57 0.00 0.00 0.01 0.00 0.00 42.46 38.76 1x5i s ILE 62 CO -0.11 0.27 -0.04 -0.83 0.00 0.00 0.00 174.94 174.22 1x5i s GLY 63 N -2.05 0.25 0.18 6.18 0.00 -0.30 -0.20 107.32 111.38 1x5i s GLY 63 Ca 0.30 -0.16 -0.06 0.00 0.00 0.00 0.00 44.72 44.80 1x5i s GLY 63 CO 0.21 -0.06 0.24 -2.52 0.00 0.00 0.00 173.10 170.96 1x5i s TYR 64 N 0.05 0.68 0.00 1.90 -0.85 -0.98 -0.43 117.35 117.72 1x5i s TYR 64 Ca -0.00 -1.00 0.00 0.00 -0.52 0.00 0.00 57.07 55.54 1x5i s TYR 64 Cb -0.04 -0.22 0.00 0.00 0.38 0.00 0.00 41.96 42.08 1x5i s TYR 64 CO -0.00 -0.71 0.00 0.41 -1.52 0.00 0.00 175.55 173.73 1x5i n GLY 65 N -0.24 3.18 3.55 5.49 0.00 -1.24 -2.08 105.19 113.86 1x5i n GLY 65 Ca -0.04 -1.06 -0.41 0.00 0.00 0.00 0.00 46.02 44.51 1x5i n GLY 65 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x5i s ILE 66 N -2.00 3.74 0.00 -0.61 -1.09 -1.26 -2.76 121.20 117.22 1x5i s ILE 66 Ca 0.00 0.26 0.00 0.00 -2.23 0.00 0.00 60.65 58.68 1x5i s ILE 66 Cb 0.00 -4.91 0.00 0.00 -1.58 0.00 0.00 42.46 35.97 1x5i s ILE 66 CO 0.00 -1.85 0.00 0.61 -1.23 0.00 0.00 174.94 172.47 1x5i n GLY 67 N 5.58 3.10 3.15 6.18 0.00 -1.26 -4.99 105.19 116.95 1x5i n GLY 67 Ca 0.07 -0.91 -0.13 0.00 0.00 0.00 0.00 46.02 45.06 1x5i n GLY 67 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5i s SER 68 N 0.00 -0.24 0.14 1.61 0.01 -1.25 -4.91 113.70 109.06 1x5i s SER 68 Ca 0.00 0.44 -0.11 0.00 1.31 0.00 0.00 55.95 57.59 1x5i s SER 68 Cb 0.00 0.49 -0.04 0.00 0.21 0.00 0.00 66.02 66.67 1x5i s SER 68 CO 0.00 -0.13 1.47 1.55 0.41 0.00 0.00 173.24 176.54 1x5i h PRO 69 N 5.51 0.94 -1.66 12.44 0.13 -1.76 -3.16 132.00 144.45 1x5i h PRO 69 Ca -0.26 -0.50 0.48 0.00 -0.87 0.00 0.00 66.00 64.85 1x5i h PRO 69 Cb 1.19 0.02 -0.07 0.00 0.13 0.00 0.00 31.00 32.27 1x5i h PRO 69 CO 0.35 1.16 1.21 0.72 -0.23 0.00 0.00 178.00 181.21 1x5i n HIS 70 N -4.06 0.00 -0.27 1.56 8.25 -1.26 -0.78 115.22 118.65 1x5i n HIS 70 Ca -0.02 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.32 1x5i n HIS 70 Cb 0.55 -0.41 -0.09 0.00 1.12 0.00 0.00 29.99 31.15 1x5i n HIS 70 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1x5i h ALA 71 N 0.83 -0.63 -2.96 -1.41 0.00 -1.69 -3.42 119.26 109.98 1x5i h ALA 71 Ca 0.79 0.06 -0.36 0.00 0.00 0.00 0.00 54.91 55.39 1x5i h ALA 71 Cb 3.19 1.24 -0.19 0.00 0.00 0.00 0.00 17.79 22.03 1x5i h ALA 71 CO -0.01 -0.95 -0.75 -0.65 0.00 0.00 0.00 179.25 176.89 1x5i s GLN 72 N -5.40 0.86 -0.05 0.00 -1.52 0.04 -5.04 119.66 108.55 1x5i s GLN 72 Ca -0.12 -1.10 -0.03 0.00 -1.95 0.00 0.00 55.36 52.16 1x5i s GLN 72 Cb 0.09 -0.68 0.03 0.00 -0.22 0.00 0.00 33.01 32.23 1x5i s GLN 72 CO 0.58 0.13 0.12 0.99 -0.25 0.00 0.00 175.29 176.85 1x5i s THR 73 N -2.02 -0.03 -0.08 -0.19 2.01 -1.26 -2.31 115.64 111.76 1x5i s THR 73 Ca 0.03 0.11 0.04 0.00 0.31 0.00 0.00 61.69 62.18 1x5i s THR 73 Cb -0.06 -0.19 0.00 0.00 0.01 0.00 0.00 72.50 72.27 1x5i s THR 73 CO 0.01 0.04 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.15 1x5i s ILE 74 N 0.68 1.75 -0.25 1.82 1.01 0.72 -4.97 121.20 121.97 1x5i s ILE 74 Ca -0.05 -0.86 0.01 0.00 0.00 0.00 0.00 60.65 59.75 1x5i s ILE 74 Cb -0.07 -1.52 0.04 0.00 0.01 0.00 0.00 42.46 40.92 1x5i s ILE 74 CO -0.03 0.49 -0.09 -0.54 0.00 0.00 0.00 174.94 174.77 1x5i s LYS 75 N 0.32 2.55 0.46 2.79 1.02 -1.26 -0.38 119.74 125.23 1x5i s LYS 75 Ca -0.14 -1.15 0.05 0.00 0.02 0.00 0.00 55.97 54.75 1x5i s LYS 75 Cb -0.16 -2.91 -0.04 0.00 -0.52 0.00 0.00 37.83 34.20 1x5i s LYS 75 CO 0.06 -0.48 0.09 0.14 -0.92 0.00 0.00 175.35 174.25 1x5i s VAL 76 N 1.22 1.76 0.56 3.17 -7.23 -1.21 -5.04 120.40 113.62 1x5i s VAL 76 Ca -0.04 -1.87 -0.19 0.00 -1.81 0.00 0.00 61.98 58.07 1x5i s VAL 76 Cb -0.18 -2.63 -0.05 0.00 0.56 0.00 0.00 36.38 34.08 1x5i s VAL 76 CO -0.06 0.00 1.16 -1.81 -0.31 0.00 0.00 175.10 174.08 1x5i s ASP 77 N -3.87 5.52 0.16 4.85 1.11 -1.26 -3.64 116.67 119.53 1x5i s ASP 77 Ca 0.27 2.25 -0.17 0.00 0.18 0.00 0.00 52.55 55.08 1x5i s ASP 77 Cb 0.05 -2.59 0.07 0.00 1.07 0.00 0.00 42.92 41.52 1x5i s ASP 77 CO 0.14 -1.36 1.71 0.10 1.18 0.00 0.00 175.17 176.95 1x5i h TYR 78 N 1.06 0.02 -0.90 4.23 -0.00 -1.87 -1.97 116.97 117.54 1x5i h TYR 78 Ca -0.50 0.02 0.30 0.00 -0.00 0.00 0.00 58.73 58.55 1x5i h TYR 78 Cb 1.27 0.05 -0.17 0.00 -0.00 0.00 0.00 36.73 37.89 1x5i h TYR 78 CO 0.50 -0.04 0.21 1.63 -0.00 0.00 0.00 178.16 180.45 1x5i n LYS 79 N -5.16 -0.06 -1.63 0.10 5.02 -1.26 -4.30 118.16 110.86 1x5i n LYS 79 Ca 0.01 1.30 -0.49 0.00 -2.02 0.00 0.00 58.31 57.12 1x5i n LYS 79 Cb 0.17 -2.18 -0.05 0.00 -0.02 0.00 0.00 35.03 32.96 1x5i n LYS 79 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1x5i n GLN 80 N -5.20 1.88 0.03 1.97 1.13 -0.74 -4.85 117.38 111.61 1x5i n GLN 80 Ca 0.26 0.65 -0.12 0.00 -1.94 0.00 0.00 57.00 55.86 1x5i n GLN 80 Cb 0.88 -2.63 -0.14 0.00 0.11 0.00 0.00 30.24 28.47 1x5i n GLN 80 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 1x5i h ARG 81 N 10.23 0.12 -3.99 -1.09 1.12 -1.88 -3.49 114.38 115.40 1x5i h ARG 81 Ca -0.44 -0.20 -0.12 0.00 -1.11 0.00 0.00 59.98 58.11 1x5i h ARG 81 Cb 1.28 0.07 -0.12 0.00 -0.01 0.00 0.00 29.97 31.19 1x5i h ARG 81 CO 0.96 0.91 -0.33 1.52 -3.11 0.00 0.00 179.97 179.92 1x5i s TYR 82 N -2.63 0.58 0.01 2.20 1.13 -1.26 -1.91 117.35 115.47 1x5i s TYR 82 Ca -0.06 -0.91 0.00 0.00 -1.41 0.00 0.00 57.07 54.69 1x5i s TYR 82 Cb 0.08 -0.10 -0.01 0.00 -1.10 0.00 0.00 41.96 40.83 1x5i s TYR 82 CO 0.83 -0.79 -0.01 -0.47 -2.51 0.00 0.00 175.55 172.60 1x5i s TYR 83 N -4.03 0.13 -0.39 -3.49 5.04 0.11 -4.97 117.35 109.74 1x5i s TYR 83 Ca 0.24 -0.22 -0.05 0.00 -2.44 0.00 0.00 57.07 54.60 1x5i s TYR 83 Cb 0.03 -0.09 0.08 0.00 0.35 0.00 0.00 41.96 42.33 1x5i s TYR 83 CO 0.06 -0.08 0.19 0.99 -1.34 0.00 0.00 175.55 175.37 1x5i s THR 84 N -0.59 3.64 -0.37 4.34 2.01 -1.26 0.01 115.64 123.41 1x5i s THR 84 Ca -0.06 -1.63 -0.23 0.00 0.31 0.00 0.00 61.69 60.07 1x5i s THR 84 Cb -0.04 -3.29 0.01 0.00 0.01 0.00 0.00 72.50 69.19 1x5i s THR 84 CO -0.00 -0.49 0.79 -0.63 -0.69 0.00 0.00 174.62 173.59 1x5i s ILE 85 N 1.29 4.72 0.53 1.82 1.01 -1.08 -4.91 121.20 124.59 1x5i s ILE 85 Ca 0.03 0.87 0.06 0.00 0.00 0.00 0.00 60.65 61.62 1x5i s ILE 85 Cb -0.22 -4.22 0.06 0.00 0.01 0.00 0.00 42.46 38.09 1x5i s ILE 85 CO -0.01 -0.45 0.50 -0.62 0.00 0.00 0.00 174.94 174.36 1x5i n GLU 86 N 6.45 0.69 -3.36 2.79 1.02 -1.26 -1.88 120.64 125.09 1x5i n GLU 86 Ca 0.03 -3.16 -0.16 0.00 -0.02 0.00 0.00 57.16 53.85 1x5i n GLU 86 Cb 0.48 0.17 0.09 0.00 -0.02 0.00 0.00 31.44 32.16 1x5i n GLU 86 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1x5i n ASN 87 N -2.00 -2.26 -4.37 1.62 3.02 -1.21 -4.98 115.26 105.08 1x5i n ASN 87 Ca 0.03 -0.60 -0.23 0.00 -0.03 0.00 0.00 54.58 53.75 1x5i n ASN 87 Cb 0.58 -4.95 -0.11 0.00 -0.61 0.00 0.00 39.78 34.70 1x5i n ASN 87 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1x5i s LEU 88 N -6.14 2.47 -0.19 3.41 1.43 -1.21 -5.10 118.68 113.35 1x5i s LEU 88 Ca 0.02 -0.90 -0.29 0.00 -1.03 0.00 0.00 54.13 51.93 1x5i s LEU 88 Cb -0.00 -0.93 0.00 0.00 0.03 0.00 0.00 46.19 45.29 1x5i s LEU 88 CO 0.70 -0.00 1.07 -0.62 0.23 0.00 0.00 176.35 177.73 1x5i s ASP 89 N -2.84 7.11 1.24 2.29 2.15 -1.26 -4.68 116.67 120.67 1x5i s ASP 89 Ca 0.19 1.46 -0.20 0.00 0.43 0.00 0.00 52.55 54.43 1x5i s ASP 89 Cb -0.06 -2.54 0.30 0.00 -0.30 0.00 0.00 42.92 40.32 1x5i s ASP 89 CO 0.08 -0.64 1.11 -2.16 -0.17 0.00 0.00 175.17 173.40 1x5i s PRO 90 N 2.97 -1.49 -1.47 4.34 0.04 -1.25 -4.14 135.00 133.99 1x5i s PRO 90 Ca 0.47 -0.16 -0.04 0.00 0.04 0.00 0.00 61.00 61.30 1x5i s PRO 90 Cb -0.17 -1.57 0.01 0.00 0.04 0.00 0.00 34.50 32.80 1x5i s PRO 90 CO 0.10 -3.87 0.19 -1.13 0.04 0.00 0.00 177.00 172.33 1x5i n SER 91 N -4.86 -0.06 -3.73 6.66 3.41 -0.90 -4.93 113.62 109.22 1x5i n SER 91 Ca 0.15 -1.21 -0.13 0.00 -0.26 0.00 0.00 58.87 57.41 1x5i n SER 91 Cb 0.60 -1.99 -0.10 0.00 -0.26 0.00 0.00 64.21 62.46 1x5i n SER 91 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1x5i s SER 92 N -4.27 -0.41 -0.17 4.04 0.01 -1.25 -4.96 113.70 106.68 1x5i s SER 92 Ca 0.07 0.75 -0.28 0.00 1.31 0.00 0.00 55.95 57.79 1x5i s SER 92 Cb -0.03 0.78 -0.00 0.00 0.21 0.00 0.00 66.02 66.97 1x5i s SER 92 CO 0.97 -0.19 0.98 -2.28 0.41 0.00 0.00 173.24 173.13 1x5i s HIS 93 N 0.01 3.42 -0.07 2.43 5.65 -1.26 -2.06 115.29 123.40 1x5i s HIS 93 Ca -0.02 1.47 0.04 0.00 0.25 0.00 0.00 55.06 56.80 1x5i s HIS 93 Cb -0.03 -3.18 -0.01 0.00 -1.18 0.00 0.00 32.58 28.17 1x5i s HIS 93 CO 0.01 -0.33 -0.20 0.71 -0.65 0.00 0.00 174.74 174.29 1x5i s TYR 94 N 2.52 2.59 -0.46 3.88 1.51 -0.18 -4.29 117.35 122.91 1x5i s TYR 94 Ca 0.44 -0.58 -0.16 0.00 -1.01 0.00 0.00 57.07 55.76 1x5i s TYR 94 Cb -0.17 -1.67 0.05 0.00 -0.11 0.00 0.00 41.96 40.07 1x5i s TYR 94 CO 0.12 -0.12 0.44 0.08 -1.11 0.00 0.00 175.55 174.95 1x5i s VAL 95 N -0.17 5.14 -0.05 0.71 1.01 -1.11 -1.92 120.40 124.01 1x5i s VAL 95 Ca -0.02 -0.79 -0.13 0.00 0.00 0.00 0.00 61.98 61.04 1x5i s VAL 95 Cb -0.14 -4.12 -0.05 0.00 0.00 0.00 0.00 36.38 32.07 1x5i s VAL 95 CO 0.04 -0.57 0.34 -0.63 0.00 0.00 0.00 175.10 174.27 1x5i s ILE 96 N 1.92 5.18 0.09 2.22 1.09 -1.22 -3.83 121.20 126.64 1x5i s ILE 96 Ca 0.08 0.67 0.02 0.00 -1.10 0.00 0.00 60.65 60.31 1x5i s ILE 96 Cb -0.21 -3.63 -0.04 0.00 -1.06 0.00 0.00 42.46 37.51 1x5i s ILE 96 CO 0.09 0.56 -0.07 0.42 -0.10 0.00 0.00 174.94 175.84 1x5i s THR 97 N -0.82 0.71 -0.08 2.92 -4.23 0.43 -1.60 115.64 112.97 1x5i s THR 97 Ca 0.21 -1.76 -0.04 0.00 -1.18 0.00 0.00 61.69 58.92 1x5i s THR 97 Cb -0.15 -1.46 0.03 0.00 1.34 0.00 0.00 72.50 72.26 1x5i s THR 97 CO 0.10 -0.75 0.18 -0.22 -0.54 0.00 0.00 174.62 173.40 1x5i s LEU 98 N -2.72 0.80 -0.02 4.79 2.96 -1.26 -1.14 118.68 122.08 1x5i s LEU 98 Ca 0.07 0.38 0.01 0.00 -0.22 0.00 0.00 54.13 54.38 1x5i s LEU 98 Cb 0.02 0.54 0.01 0.00 0.50 0.00 0.00 46.19 47.26 1x5i s LEU 98 CO -0.03 -0.13 -0.04 -1.59 -1.32 0.00 0.00 176.35 173.24 1x5i s LYS 99 N 0.89 0.56 -0.08 1.98 -2.85 -0.68 -0.76 119.74 118.80 1x5i s LYS 99 Ca -0.07 -0.10 -0.24 0.00 -1.00 0.00 0.00 55.97 54.56 1x5i s LYS 99 Cb -0.08 -0.60 -0.03 0.00 -2.06 0.00 0.00 37.83 35.06 1x5i s LYS 99 CO -0.05 -0.01 0.74 0.00 0.10 0.00 0.00 175.35 176.13 1x5i s ALA 100 N 0.53 3.35 0.11 0.59 0.00 -1.26 -1.09 121.76 123.98 1x5i s ALA 100 Ca -0.06 0.15 0.05 0.00 0.00 0.00 0.00 51.96 52.10 1x5i s ALA 100 Cb -0.10 -3.03 -0.04 0.00 0.00 0.00 0.00 23.12 19.96 1x5i s ALA 100 CO -0.00 -0.20 -0.12 -0.59 0.00 0.00 0.00 175.76 174.84 1x5i s PHE 101 N 1.03 1.25 0.19 0.00 -0.71 -1.06 0.29 117.98 118.96 1x5i s PHE 101 Ca 0.39 -0.58 -0.03 0.00 -1.04 0.00 0.00 56.93 55.67 1x5i s PHE 101 Cb -0.18 -0.67 0.01 0.00 -1.21 0.00 0.00 43.02 40.98 1x5i s PHE 101 CO 0.18 0.08 0.30 0.27 -1.34 0.00 0.00 175.22 174.71 1x5i n ASN 102 N 0.62 -0.85 -0.34 1.98 6.94 0.97 -3.08 115.26 121.50 1x5i n ASN 102 Ca -0.16 -1.94 0.18 0.00 -0.02 0.00 0.00 54.58 52.64 1x5i n ASN 102 Cb 0.57 1.52 0.42 0.00 -2.36 0.00 0.00 39.78 39.92 1x5i n ASN 102 CO 0.00 0.00 0.00 -1.13 -1.03 0.00 0.00 177.26 175.10 1x5i h ASN 103 N 1.03 0.61 -0.02 0.53 -1.24 -1.93 -0.44 115.58 114.11 1x5i h ASN 103 Ca -0.15 0.11 -0.00 0.00 0.71 0.00 0.00 56.30 56.96 1x5i h ASN 103 Cb 0.62 0.01 -0.00 0.00 0.73 0.00 0.00 38.32 39.68 1x5i h ASN 103 CO 0.20 0.14 0.01 0.58 -1.29 0.00 0.00 177.43 177.07 1x5i h VAL 104 N 0.55 1.08 0.00 2.57 2.07 -1.86 -3.49 116.25 117.18 1x5i h VAL 104 Ca 0.61 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.88 1x5i h VAL 104 Cb 1.25 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 1x5i h VAL 104 CO -0.38 0.07 0.00 0.61 0.02 0.00 0.00 177.57 177.88 1x5i n GLY 105 N -0.83 -0.63 3.26 2.17 0.00 -0.18 -4.87 105.19 104.11 1x5i n GLY 105 Ca -0.07 0.04 -0.18 0.00 0.00 0.00 0.00 46.02 45.81 1x5i n GLY 105 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x5i s GLU 106 N -0.28 1.06 0.00 1.61 2.02 -1.26 -0.02 118.70 121.83 1x5i s GLU 106 Ca 0.00 -1.30 0.00 0.00 0.02 0.00 0.00 54.97 53.69 1x5i s GLU 106 Cb 0.00 -0.91 0.00 0.00 0.10 0.00 0.00 34.13 33.32 1x5i s GLU 106 CO 0.00 0.17 0.00 0.41 0.02 0.00 0.00 175.26 175.86 1x5i n GLY 107 N 0.37 2.38 3.63 -1.39 0.00 0.14 -4.81 105.19 105.51 1x5i n GLY 107 Ca -0.14 -1.90 -0.36 0.00 0.00 0.00 0.00 46.02 43.62 1x5i n GLY 107 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1x5i s ILE 108 N 2.78 5.06 0.92 -0.61 -0.00 -1.26 -4.82 121.20 123.27 1x5i s ILE 108 Ca 0.00 0.07 -0.12 0.00 -0.00 0.00 0.00 60.65 60.60 1x5i s ILE 108 Cb 0.00 -3.33 0.14 0.00 -0.00 0.00 0.00 42.46 39.27 1x5i s ILE 108 CO 0.00 0.39 1.09 -2.16 -0.00 0.00 0.00 174.94 174.26 1x5i s PRO 109 N 0.87 1.04 0.56 0.37 0.04 -1.26 -4.30 135.00 132.32 1x5i s PRO 109 Ca 0.06 0.74 0.06 0.00 0.04 0.00 0.00 61.00 61.90 1x5i s PRO 109 Cb -0.13 -1.79 0.05 0.00 0.04 0.00 0.00 34.50 32.67 1x5i s PRO 109 CO 0.03 -2.37 0.45 -0.51 0.04 0.00 0.00 177.00 174.63 1x5i s LEU 110 N -6.29 2.70 -0.11 -3.56 1.43 0.06 -4.87 118.68 108.04 1x5i s LEU 110 Ca 0.64 -1.24 -0.04 0.00 -1.03 0.00 0.00 54.13 52.47 1x5i s LEU 110 Cb -0.18 -1.19 0.05 0.00 0.03 0.00 0.00 46.19 44.90 1x5i s LEU 110 CO 0.57 -1.16 0.08 -0.31 0.23 0.00 0.00 176.35 175.76 1x5i s TYR 111 N -2.78 0.11 0.38 0.29 1.51 -1.26 -4.13 117.35 111.47 1x5i s TYR 111 Ca 0.36 -0.03 0.04 0.00 -1.01 0.00 0.00 57.07 56.43 1x5i s TYR 111 Cb -0.03 -0.58 -0.04 0.00 -0.11 0.00 0.00 41.96 41.21 1x5i s TYR 111 CO 0.22 -0.37 0.11 -1.21 -1.11 0.00 0.00 175.55 173.19 1x5i s GLU 112 N 2.16 1.84 -0.01 -0.62 0.41 -0.63 -5.04 118.70 116.82 1x5i s GLU 112 Ca 0.03 -2.10 0.03 0.00 -0.41 0.00 0.00 54.97 52.53 1x5i s GLU 112 Cb -0.14 -0.69 -0.01 0.00 -1.78 0.00 0.00 34.13 31.51 1x5i s GLU 112 CO -0.06 -0.39 -0.09 -1.54 -0.49 0.00 0.00 175.26 172.68 1x5i s SER 113 N -3.57 1.07 -0.23 -0.19 1.04 -1.26 -3.44 113.70 107.12 1x5i s SER 113 Ca 0.27 -0.17 -0.03 0.00 0.48 0.00 0.00 55.95 56.50 1x5i s SER 113 Cb 0.04 -0.12 0.12 0.00 0.10 0.00 0.00 66.02 66.17 1x5i s SER 113 CO 0.14 0.11 0.35 0.00 0.98 0.00 0.00 173.24 174.82 1x5i s ALA 114 N -0.23 -0.92 -0.46 5.32 0.00 -0.81 -4.91 121.76 119.74 1x5i s ALA 114 Ca 0.03 0.85 -0.16 0.00 0.00 0.00 0.00 51.96 52.68 1x5i s ALA 114 Cb -0.04 -1.54 0.05 0.00 0.00 0.00 0.00 23.12 21.59 1x5i s ALA 114 CO -0.00 -1.17 0.43 0.08 0.00 0.00 0.00 175.76 175.09 1x5i s VAL 115 N 2.51 5.15 -0.05 0.00 1.01 -1.26 -1.02 120.40 126.74 1x5i s VAL 115 Ca 0.10 -0.78 -0.37 0.00 0.00 0.00 0.00 61.98 60.92 1x5i s VAL 115 Cb -0.15 -4.11 -0.15 0.00 0.00 0.00 0.00 36.38 31.97 1x5i s VAL 115 CO -0.14 -0.55 1.57 0.35 0.00 0.00 0.00 175.10 176.33 1x5i n THR 116 N 5.31 0.17 -1.21 3.92 -2.24 -0.88 -4.72 114.28 114.63 1x5i n THR 116 Ca -0.10 -0.03 -0.37 0.00 -2.27 0.00 0.00 64.05 61.27 1x5i n THR 116 Cb 0.45 -1.17 0.04 0.00 -2.10 0.00 0.00 70.33 67.55 1x5i n THR 116 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1x5i n ARG 117 N 4.09 0.13 -2.05 -0.78 5.12 -1.24 -2.12 116.66 119.82 1x5i n ARG 117 Ca 0.21 0.06 -0.40 0.00 -1.93 0.00 0.00 57.85 55.80 1x5i n ARG 117 Cb 0.19 -1.34 -0.03 0.00 -1.16 0.00 0.00 32.46 30.12 1x5i n ARG 117 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1x5i s PRO 118 N -1.91 2.84 -0.14 5.56 0.04 -1.26 -2.58 135.00 137.54 1x5i s PRO 118 Ca 0.57 0.81 -0.14 0.00 0.04 0.00 0.00 61.00 62.29 1x5i s PRO 118 Cb -0.38 -4.32 -0.11 0.00 0.04 0.00 0.00 34.50 29.73 1x5i s PRO 118 CO 0.66 -2.47 0.19 1.25 0.04 0.00 0.00 177.00 176.67 1x5i h HIS 119 N 14.23 0.00 0.00 0.56 2.76 -1.88 -3.37 115.15 127.45 1x5i h HIS 119 Ca -0.28 0.00 -0.15 0.00 -2.20 0.00 0.00 60.37 57.74 1x5i h HIS 119 Cb 1.16 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 30.06 1x5i h HIS 119 CO 1.02 0.54 -0.22 -2.37 -1.30 0.00 0.00 177.93 175.60 1x5i n THR 120 N -4.63 2.43 -3.46 6.26 5.66 -1.26 -4.86 114.28 114.42 1x5i n THR 120 Ca -0.11 -1.21 -0.38 0.00 -3.05 0.00 0.00 64.05 59.31 1x5i n THR 120 Cb 0.32 -1.90 -0.08 0.00 -1.55 0.00 0.00 70.33 67.12 1x5i n THR 120 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1x5i s SER 121 N 2.18 6.37 0.00 1.09 0.15 -1.26 -5.05 113.70 117.18 1x5i s SER 121 Ca 0.53 0.43 0.00 0.00 0.70 0.00 0.00 55.95 57.62 1x5i s SER 121 Cb 0.26 -2.20 0.00 0.00 -1.71 0.00 0.00 66.02 62.37 1x5i s SER 121 CO 0.00 -0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.02 1x5i n GLY 122 N 3.93 0.54 3.68 9.45 0.00 -1.26 -5.07 105.19 116.46 1x5i n GLY 122 Ca -0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 1x5i n GLY 122 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5i s PRO 123 N 2.11 0.58 0.30 1.61 0.04 -1.26 -5.07 135.00 133.32 1x5i s PRO 123 Ca 0.00 0.58 0.07 0.00 0.04 0.00 0.00 61.00 61.69 1x5i s PRO 123 Cb 0.00 -1.75 -0.03 0.00 0.04 0.00 0.00 34.50 32.76 1x5i s PRO 123 CO 0.00 -2.64 0.31 0.45 0.04 0.00 0.00 177.00 175.16 1x5i s SER 124 N -3.45 5.62 0.19 6.66 0.15 -1.26 -5.02 113.70 116.59 1x5i s SER 124 Ca 0.65 -0.30 -0.12 0.00 0.70 0.00 0.00 55.95 56.88 1x5i s SER 124 Cb -0.18 -1.25 0.16 0.00 -1.71 0.00 0.00 66.02 63.04 1x5i s SER 124 CO 0.57 -0.26 1.81 0.77 1.20 0.00 0.00 173.24 177.34 1x5i h SER 125 N 1.22 0.52 0.00 5.45 4.64 -2.07 -3.57 113.55 119.74 1x5i h SER 125 Ca -0.47 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1x5i h SER 125 Cb 1.25 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1x5i h SER 125 CO 0.58 0.36 0.00 0.61 -0.87 0.00 0.00 176.83 177.51