#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 4.29 -1.66 1.61 0.01 -1.26 -4.84 113.70 111.85 1x5i s SER 2 Ca 0.00 -1.89 -0.18 0.00 1.31 0.00 0.00 55.95 55.19 1x5i s SER 2 Cb 0.00 -1.16 0.18 0.00 0.21 0.00 0.00 66.02 65.25 1x5i s SER 2 CO 0.00 -0.39 0.45 -1.54 0.41 0.00 0.00 173.24 172.17 1x5i n SER 3 N 4.56 -1.24 0.00 2.44 3.41 -1.26 -4.59 113.62 116.94 1x5i n SER 3 Ca 0.01 -1.14 0.00 0.00 -0.26 0.00 0.00 58.87 57.48 1x5i n SER 3 Cb 0.42 -1.45 0.00 0.00 -0.26 0.00 0.00 64.21 62.92 1x5i n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x5i n GLY 4 N -1.24 1.14 3.83 5.00 0.00 -1.26 -4.88 105.19 107.79 1x5i n GLY 4 Ca 0.04 -0.15 -0.06 0.00 0.00 0.00 0.00 46.02 45.85 1x5i n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5i s SER 5 N -2.91 -0.05 0.35 1.61 0.01 -1.26 -5.17 113.70 106.28 1x5i s SER 5 Ca 0.00 -0.84 -0.13 0.00 1.31 0.00 0.00 55.95 56.29 1x5i s SER 5 Cb 0.00 0.68 0.03 0.00 0.21 0.00 0.00 66.02 66.94 1x5i s SER 5 CO 0.00 -1.32 0.68 -0.55 0.41 0.00 0.00 173.24 172.46 1x5i s SER 6 N -3.15 0.19 -0.38 2.44 0.15 -1.26 -5.13 113.70 106.55 1x5i s SER 6 Ca 0.17 -1.15 0.03 0.00 0.70 0.00 0.00 55.95 55.69 1x5i s SER 6 Cb -0.04 0.77 0.16 0.00 -1.71 0.00 0.00 66.02 65.20 1x5i s SER 6 CO 0.08 -1.52 0.34 -0.83 1.20 0.00 0.00 173.24 172.51 1x5i s GLY 7 N -3.09 0.46 0.64 9.45 0.00 -1.26 -5.14 107.32 108.38 1x5i s GLY 7 Ca 0.19 -1.58 -0.16 0.00 0.00 0.00 0.00 44.72 43.18 1x5i s GLY 7 CO 0.13 2.45 1.11 2.56 0.00 0.00 0.00 173.10 179.35 1x5i s PRO 8 N 0.95 2.89 -0.19 2.90 0.04 -1.26 -5.07 135.00 135.26 1x5i s PRO 8 Ca 0.22 1.42 -0.27 0.00 0.04 0.00 0.00 61.00 62.41 1x5i s PRO 8 Cb -0.12 -1.96 0.08 0.00 0.04 0.00 0.00 34.50 32.53 1x5i s PRO 8 CO -0.05 -1.18 0.75 0.00 0.04 0.00 0.00 177.00 176.55 1x5i s ALA 9 N -2.25 -1.80 -0.29 8.56 0.00 -1.26 -5.17 121.76 119.55 1x5i s ALA 9 Ca 0.68 1.76 -0.22 0.00 0.00 0.00 0.00 51.96 54.18 1x5i s ALA 9 Cb -0.21 -0.78 0.16 0.00 0.00 0.00 0.00 23.12 22.28 1x5i s ALA 9 CO 0.39 -0.34 1.16 -0.08 0.00 0.00 0.00 175.76 176.89 1x5i s THR 10 N -0.23 0.00 -0.13 0.00 -1.32 -1.26 -5.18 115.64 107.52 1x5i s THR 10 Ca -0.04 0.00 -0.33 0.00 -1.21 0.00 0.00 61.69 60.12 1x5i s THR 10 Cb -0.03 -1.00 0.13 0.00 -1.51 0.00 0.00 72.50 70.09 1x5i s THR 10 CO 0.03 0.00 1.10 -0.62 -2.21 0.00 0.00 174.62 172.92 1x5i s ASP 11 N 0.53 -0.22 0.17 8.08 -1.08 -1.26 -5.17 116.67 117.71 1x5i s ASP 11 Ca 0.00 0.00 0.03 0.00 -0.52 0.00 0.00 52.55 52.06 1x5i s ASP 11 Cb -0.04 0.23 -0.03 0.00 -1.46 0.00 0.00 42.92 41.61 1x5i s ASP 11 CO -0.11 -0.37 0.30 -1.66 0.52 0.00 0.00 175.17 173.85 1x5i s TRP 12 N -2.64 3.48 0.21 -5.34 1.48 -1.26 -5.12 118.94 109.75 1x5i s TRP 12 Ca 0.08 0.09 -0.03 0.00 -1.06 0.00 0.00 56.10 55.18 1x5i s TRP 12 Cb -0.01 -1.65 -0.03 0.00 -1.16 0.00 0.00 33.47 30.62 1x5i s TRP 12 CO -0.06 0.50 0.20 -0.48 -4.06 0.00 0.00 176.95 173.05 1x5i s LEU 13 N -3.37 1.02 -0.53 -4.66 -0.00 -1.26 -5.12 118.68 104.75 1x5i s LEU 13 Ca 0.34 -1.32 0.01 0.00 -0.00 0.00 0.00 54.13 53.16 1x5i s LEU 13 Cb -0.11 0.64 0.14 0.00 -0.00 0.00 0.00 46.19 46.86 1x5i s LEU 13 CO 0.29 -0.90 0.30 -0.55 -0.00 0.00 0.00 176.35 175.49 1x5i s SER 14 N -3.14 4.79 -0.18 1.48 0.15 -1.26 -5.04 113.70 110.49 1x5i s SER 14 Ca 0.36 -2.79 -0.35 0.00 0.70 0.00 0.00 55.95 53.87 1x5i s SER 14 Cb 0.05 -1.73 0.14 0.00 -1.71 0.00 0.00 66.02 62.77 1x5i s SER 14 CO 0.12 -0.32 1.20 0.00 1.20 0.00 0.00 173.24 175.44 1x5i s ALA 15 N 0.03 -2.07 1.40 5.45 0.00 -1.26 -5.17 121.76 120.14 1x5i s ALA 15 Ca 0.16 1.57 -0.23 0.00 0.00 0.00 0.00 51.96 53.46 1x5i s ALA 15 Cb -0.23 -0.09 0.36 0.00 0.00 0.00 0.00 23.12 23.16 1x5i s ALA 15 CO -0.02 -0.60 0.96 -1.83 0.00 0.00 0.00 175.76 174.26 1x5i s GLU 16 N -2.44 -2.75 -0.69 0.00 -1.05 -1.26 -4.91 118.70 105.60 1x5i s GLU 16 Ca 0.09 0.05 -0.02 0.00 -0.15 0.00 0.00 54.97 54.94 1x5i s GLU 16 Cb -0.01 -1.41 0.31 0.00 -0.44 0.00 0.00 34.13 32.58 1x5i s GLU 16 CO -0.05 -4.74 2.17 2.41 0.95 0.00 0.00 175.26 176.01 1x5i n THR 17 N -5.52 3.49 -3.75 1.83 -1.04 -1.26 -4.85 114.28 103.18 1x5i n THR 17 Ca 0.13 -3.54 -0.27 0.00 -2.04 0.00 0.00 64.05 58.34 1x5i n THR 17 Cb 0.60 -1.30 -0.06 0.00 -1.82 0.00 0.00 70.33 67.75 1x5i n THR 17 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 1x5i n PHE 18 N -0.29 -0.87 -1.61 -1.42 7.35 -1.26 -4.68 117.46 114.68 1x5i n PHE 18 Ca 0.53 0.47 -0.55 0.00 -0.76 0.00 0.00 57.45 57.15 1x5i n PHE 18 Cb 0.42 -1.66 -0.07 0.00 0.35 0.00 0.00 39.48 38.52 1x5i n PHE 18 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 1x5i n GLU 19 N -3.31 0.95 0.27 -4.13 4.07 -1.26 -4.82 120.64 112.41 1x5i n GLU 19 Ca -0.07 0.34 0.17 0.00 -0.06 0.00 0.00 57.16 57.55 1x5i n GLU 19 Cb 0.41 -1.97 0.68 0.00 -0.06 0.00 0.00 31.44 30.50 1x5i n GLU 19 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 1x5i h SER 20 N 4.87 0.00 -0.93 4.31 4.64 -2.04 -3.02 113.55 121.37 1x5i h SER 20 Ca -0.48 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 60.91 1x5i h SER 20 Cb 1.35 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.37 1x5i h SER 20 CO 0.80 0.00 0.59 -0.78 -0.87 0.00 0.00 176.83 176.57 1x5i h ASP 21 N 0.00 0.94 -1.94 4.97 3.58 -1.99 -3.44 116.42 118.53 1x5i h ASP 21 Ca 0.00 0.02 -0.60 0.00 0.42 0.00 0.00 57.03 56.87 1x5i h ASP 21 Cb 0.51 -0.18 0.18 0.00 1.72 0.00 0.00 39.33 41.56 1x5i h ASP 21 CO 0.00 0.59 -1.12 0.18 -2.88 0.00 0.00 179.24 176.02 1x5i n LEU 22 N -4.57 -3.52 -4.56 2.28 4.77 -1.14 -4.74 117.00 105.52 1x5i n LEU 22 Ca 0.14 0.67 -0.36 0.00 -0.03 0.00 0.00 56.01 56.44 1x5i n LEU 22 Cb 0.19 -0.85 -0.04 0.00 -2.33 0.00 0.00 43.42 40.40 1x5i n LEU 22 CO 0.31 -4.67 1.40 -0.62 -1.33 0.00 0.00 177.39 172.49 1x5i s ASP 23 N -0.99 5.81 -0.11 -1.43 -1.08 -0.07 -4.70 116.67 114.10 1x5i s ASP 23 Ca 0.57 -0.77 0.16 0.00 -0.52 0.00 0.00 52.55 51.99 1x5i s ASP 23 Cb -0.51 -2.56 0.24 0.00 -1.46 0.00 0.00 42.92 38.63 1x5i s ASP 23 CO 0.65 -2.11 1.12 1.21 0.52 0.00 0.00 175.17 176.57 1x5i n GLU 24 N 9.00 1.46 0.01 4.34 2.13 -1.26 -2.14 120.64 134.17 1x5i n GLU 24 Ca 0.29 -2.37 0.11 0.00 0.66 0.00 0.00 57.16 55.86 1x5i n GLU 24 Cb 0.49 -1.39 0.12 0.00 0.27 0.00 0.00 31.44 30.93 1x5i n GLU 24 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 1x5i n THR 25 N -1.25 0.03 -4.21 6.31 5.66 -1.26 -4.67 114.28 114.89 1x5i n THR 25 Ca 0.13 -0.04 -0.12 0.00 -3.05 0.00 0.00 64.05 60.97 1x5i n THR 25 Cb 0.59 0.43 -0.10 0.00 -1.55 0.00 0.00 70.33 69.70 1x5i n THR 25 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1x5i s ARG 26 N -3.03 1.07 0.27 1.09 1.70 -1.26 -5.03 118.95 113.76 1x5i s ARG 26 Ca 0.09 -1.53 -0.20 0.00 -0.47 0.00 0.00 55.73 53.62 1x5i s ARG 26 Cb 0.17 -0.03 -0.09 0.00 -0.57 0.00 0.00 34.95 34.43 1x5i s ARG 26 CO 0.76 -0.22 0.79 0.14 -1.08 0.00 0.00 175.30 175.69 1x5i s VAL 27 N -3.85 4.50 -0.52 4.99 -7.23 -1.26 -4.76 120.40 112.27 1x5i s VAL 27 Ca 0.26 1.35 -0.27 0.00 -1.81 0.00 0.00 61.98 61.51 1x5i s VAL 27 Cb 0.07 -3.83 -0.02 0.00 0.56 0.00 0.00 36.38 33.16 1x5i s VAL 27 CO 0.05 0.09 1.81 -2.16 -0.31 0.00 0.00 175.10 174.57 1x5i s PRO 28 N -2.25 2.89 1.19 4.82 0.04 -1.26 -4.96 135.00 135.47 1x5i s PRO 28 Ca 0.48 0.85 -0.16 0.00 0.04 0.00 0.00 61.00 62.21 1x5i s PRO 28 Cb -0.15 -4.31 0.24 0.00 0.04 0.00 0.00 34.50 30.32 1x5i s PRO 28 CO 0.20 -2.41 0.63 -0.85 0.04 0.00 0.00 177.00 174.61 1x5i n GLU 29 N 8.90 -2.50 -1.29 4.56 0.28 -1.26 -4.28 120.64 125.06 1x5i n GLU 29 Ca 0.21 -0.71 -0.45 0.00 -0.16 0.00 0.00 57.16 56.05 1x5i n GLU 29 Cb 0.50 -1.96 -0.03 0.00 1.43 0.00 0.00 31.44 31.38 1x5i n GLU 29 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 177.13 178.52 1x5i n VAL 30 N -4.91 1.61 -1.16 3.84 3.14 -1.26 -4.78 118.33 114.81 1x5i n VAL 30 Ca 0.02 -0.40 -0.29 0.00 -2.96 0.00 0.00 64.34 60.72 1x5i n VAL 30 Cb 0.57 0.00 0.18 0.00 -1.06 0.00 0.00 33.84 33.53 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 -0.80 0.33 0.23 1.45 0.04 -1.26 -4.86 135.00 130.12 1x5i s PRO 31 Ca 0.61 0.49 -0.08 0.00 0.04 0.00 0.00 61.00 62.07 1x5i s PRO 31 Cb -0.89 -1.73 0.38 0.00 0.04 0.00 0.00 34.50 32.31 1x5i s PRO 31 CO 0.51 -2.79 1.68 0.66 0.04 0.00 0.00 177.00 177.09 1x5i h SER 32 N -1.94 -0.11 -1.51 6.66 4.64 -1.62 -3.47 113.55 116.21 1x5i h SER 32 Ca -0.55 0.15 0.19 0.00 -0.47 0.00 0.00 61.79 61.11 1x5i h SER 32 Cb 1.33 0.23 -0.04 0.00 -0.31 0.00 0.00 62.40 63.61 1x5i h SER 32 CO 0.58 -0.07 0.53 -0.24 -0.87 0.00 0.00 176.83 176.76 1x5i n SER 33 N -5.21 -0.84 -3.58 4.97 2.88 -1.26 -5.06 113.62 105.53 1x5i n SER 33 Ca 0.12 -1.26 -0.07 0.00 -1.33 0.00 0.00 58.87 56.33 1x5i n SER 33 Cb 0.41 1.32 -0.08 0.00 -0.75 0.00 0.00 64.21 65.11 1x5i n SER 33 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1x5i s LEU 34 N 0.00 -0.76 -0.02 2.46 2.96 -1.26 -3.07 118.68 118.99 1x5i s LEU 34 Ca 0.18 0.95 0.01 0.00 -0.22 0.00 0.00 54.13 55.06 1x5i s LEU 34 Cb -0.01 1.50 -0.03 0.00 0.50 0.00 0.00 46.19 48.15 1x5i s LEU 34 CO 0.00 -0.24 -0.01 -2.28 -1.32 0.00 0.00 176.35 172.50 1x5i s HIS 35 N 2.66 3.05 -0.01 5.38 5.65 0.16 -4.96 115.29 127.22 1x5i s HIS 35 Ca 0.01 0.07 0.02 0.00 0.25 0.00 0.00 55.06 55.42 1x5i s HIS 35 Cb -0.13 -1.68 -0.00 0.00 -1.18 0.00 0.00 32.58 29.59 1x5i s HIS 35 CO -0.15 0.44 -0.08 0.14 -0.65 0.00 0.00 174.74 174.44 1x5i s VAL 36 N -1.03 0.66 -0.27 0.89 -7.23 -1.26 -0.31 120.40 111.85 1x5i s VAL 36 Ca 0.18 -0.34 0.03 0.00 -1.81 0.00 0.00 61.98 60.04 1x5i s VAL 36 Cb -0.11 -0.57 0.07 0.00 0.56 0.00 0.00 36.38 36.32 1x5i s VAL 36 CO 0.08 0.20 -0.07 -0.60 -0.31 0.00 0.00 175.10 174.40 1x5i s ARG 37 N -0.04 2.01 0.10 4.82 3.52 -0.35 -4.92 118.95 124.09 1x5i s ARG 37 Ca 0.01 -1.42 -0.31 0.00 -0.13 0.00 0.00 55.73 53.88 1x5i s ARG 37 Cb -0.05 -2.92 -0.08 0.00 -1.56 0.00 0.00 34.95 30.35 1x5i s ARG 37 CO -0.00 -0.65 1.37 -1.25 -0.81 0.00 0.00 175.30 173.95 1x5i s PRO 38 N 1.09 4.33 0.17 5.12 0.04 -1.26 -1.02 135.00 143.48 1x5i s PRO 38 Ca -0.04 2.04 0.10 0.00 0.04 0.00 0.00 61.00 63.13 1x5i s PRO 38 Cb -0.20 -3.27 -0.04 0.00 0.04 0.00 0.00 34.50 31.03 1x5i s PRO 38 CO -0.06 -0.42 -0.21 -0.51 0.04 0.00 0.00 177.00 175.84 1x5i s LEU 39 N 1.14 2.42 0.00 -3.56 1.02 0.11 -4.59 118.68 115.22 1x5i s LEU 39 Ca 0.64 -0.85 0.00 0.00 0.02 0.00 0.00 54.13 53.94 1x5i s LEU 39 Cb -0.36 -1.01 0.00 0.00 0.02 0.00 0.00 46.19 44.84 1x5i s LEU 39 CO 0.30 0.05 0.52 0.52 0.02 0.00 0.00 176.35 177.76 1x5i n VAL 40 N 0.34 0.00 -1.27 -1.59 0.31 -1.26 -2.20 118.33 112.66 1x5i n VAL 40 Ca -0.13 0.81 0.06 0.00 -0.01 0.00 0.00 64.34 65.07 1x5i n VAL 40 Cb 0.56 -1.11 0.19 0.00 -0.91 0.00 0.00 33.84 32.57 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 -2.13 2.16 -4.05 2.52 -2.24 -1.26 -3.67 114.28 105.60 1x5i n THR 41 Ca 0.00 -2.55 -0.14 0.00 -2.27 0.00 0.00 64.05 59.09 1x5i n THR 41 Cb 0.00 -0.26 -0.03 0.00 -2.10 0.00 0.00 70.33 67.94 1x5i n THR 41 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1x5i n SER 42 N -1.14 -1.28 -3.16 3.42 7.64 -0.94 -1.77 113.62 116.39 1x5i n SER 42 Ca 0.21 -2.84 0.04 0.00 1.01 0.00 0.00 58.87 57.28 1x5i n SER 42 Cb 0.77 2.41 -0.01 0.00 -1.01 0.00 0.00 64.21 66.37 1x5i n SER 42 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1x5i s ILE 43 N -2.82 -0.99 -0.78 0.44 1.01 -0.53 0.03 121.20 117.56 1x5i s ILE 43 Ca 0.28 -0.00 -0.25 0.00 0.00 0.00 0.00 60.65 60.69 1x5i s ILE 43 Cb -0.01 -0.99 0.05 0.00 0.01 0.00 0.00 42.46 41.52 1x5i s ILE 43 CO 0.20 -0.00 1.22 -0.69 0.00 0.00 0.00 174.94 175.67 1x5i s VAL 44 N 2.85 3.97 -0.62 2.92 1.01 -0.19 -1.44 120.40 128.90 1x5i s VAL 44 Ca 0.20 -0.11 -0.23 0.00 0.00 0.00 0.00 61.98 61.84 1x5i s VAL 44 Cb -0.15 -4.87 0.06 0.00 0.00 0.00 0.00 36.38 31.42 1x5i s VAL 44 CO -0.21 -1.75 0.95 -0.69 0.00 0.00 0.00 175.10 173.41 1x5i s VAL 45 N 4.98 4.34 -0.21 2.92 1.01 0.88 -1.21 120.40 133.12 1x5i s VAL 45 Ca 0.33 -0.16 -0.06 0.00 0.00 0.00 0.00 61.98 62.09 1x5i s VAL 45 Cb -0.09 -4.64 -0.03 0.00 0.00 0.00 0.00 36.38 31.63 1x5i s VAL 45 CO 0.08 -1.35 0.04 -0.94 0.00 0.00 0.00 175.10 172.93 1x5i s SER 46 N 3.40 5.20 0.50 3.32 1.04 0.58 -0.05 113.70 127.69 1x5i s SER 46 Ca 0.25 -0.11 0.01 0.00 0.48 0.00 0.00 55.95 56.58 1x5i s SER 46 Cb -0.15 -1.90 -0.00 0.00 0.10 0.00 0.00 66.02 64.06 1x5i s SER 46 CO 0.13 0.07 0.02 -2.67 0.98 0.00 0.00 173.24 171.78 1x5i n TRP 47 N 4.19 1.03 -3.85 5.02 2.14 -0.69 0.38 117.44 125.66 1x5i n TRP 47 Ca -0.17 -2.55 -0.12 0.00 2.07 0.00 0.00 57.50 56.74 1x5i n TRP 47 Cb 0.52 -0.29 -0.12 0.00 -0.81 0.00 0.00 31.31 30.62 1x5i n TRP 47 CO 0.00 0.00 0.00 0.95 2.07 0.00 0.00 177.69 180.71 1x5i s THR 48 N -2.89 0.04 0.89 -1.67 -4.23 -1.17 -4.79 115.64 101.81 1x5i s THR 48 Ca 0.03 -0.30 -0.11 0.00 -1.18 0.00 0.00 61.69 60.12 1x5i s THR 48 Cb 0.00 -0.29 0.12 0.00 1.34 0.00 0.00 72.50 73.67 1x5i s THR 48 CO 0.02 -0.17 1.09 -2.16 -0.54 0.00 0.00 174.62 172.87 1x5i s PRO 49 N -0.54 1.34 0.18 3.99 0.04 -1.26 -3.63 135.00 135.12 1x5i s PRO 49 Ca -0.06 0.85 -0.30 0.00 0.04 0.00 0.00 61.00 61.53 1x5i s PRO 49 Cb -0.04 -1.82 -0.08 0.00 0.04 0.00 0.00 34.50 32.60 1x5i s PRO 49 CO 0.01 -2.19 1.32 -1.25 0.04 0.00 0.00 177.00 174.92 1x5i s PRO 50 N -4.93 4.38 0.24 0.56 0.04 -1.26 -3.49 135.00 130.54 1x5i s PRO 50 Ca 0.63 2.04 0.03 0.00 0.04 0.00 0.00 61.00 63.75 1x5i s PRO 50 Cb -0.18 -3.21 0.62 0.00 0.04 0.00 0.00 34.50 31.77 1x5i s PRO 50 CO 0.57 -0.28 1.16 0.39 0.04 0.00 0.00 177.00 178.88 1x5i n GLU 51 N 2.89 -0.06 -2.15 4.56 4.71 -1.26 -3.87 120.64 125.47 1x5i n GLU 51 Ca 0.07 1.10 -0.43 0.00 -0.01 0.00 0.00 57.16 57.89 1x5i n GLU 51 Cb 0.43 -1.78 -0.02 0.00 -1.01 0.00 0.00 31.44 29.06 1x5i n GLU 51 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 177.13 178.43 1x5i s ASN 52 N -4.96 6.07 -0.47 1.62 3.84 -1.26 -4.87 114.94 114.91 1x5i s ASN 52 Ca -0.09 1.07 -0.00 0.00 0.21 0.00 0.00 52.86 54.04 1x5i s ASN 52 Cb 0.22 -2.53 0.39 0.00 -0.55 0.00 0.00 41.25 38.78 1x5i s ASN 52 CO 0.58 -1.60 1.95 0.00 -2.79 0.00 0.00 177.10 175.23 1x5i n GLN 53 N 8.30 2.21 -0.01 0.43 1.13 -1.25 -4.03 117.38 124.15 1x5i n GLN 53 Ca 0.20 -2.47 -0.01 0.00 -1.94 0.00 0.00 57.00 52.79 1x5i n GLN 53 Cb 0.47 -1.97 -0.04 0.00 0.11 0.00 0.00 30.24 28.82 1x5i n GLN 53 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1x5i n ASN 54 N -0.46 3.92 -4.70 1.08 5.03 -1.26 -5.00 115.26 113.86 1x5i n ASN 54 Ca 0.48 0.00 -0.42 0.00 0.87 0.00 0.00 54.58 55.51 1x5i n ASN 54 Cb 0.83 0.82 -0.03 0.00 -1.02 0.00 0.00 39.78 40.37 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 -2.18 3.92 -0.32 2.41 1.01 -1.26 -0.89 121.20 123.88 1x5i s ILE 55 Ca -0.02 1.34 -0.28 0.00 0.00 0.00 0.00 60.65 61.69 1x5i s ILE 55 Cb 0.02 -3.86 -0.02 0.00 0.01 0.00 0.00 42.46 38.61 1x5i s ILE 55 CO 0.19 0.06 1.79 -0.69 0.00 0.00 0.00 174.94 176.29 1x5i s VAL 56 N 1.55 3.48 -0.31 2.92 1.01 -0.91 -4.90 120.40 123.24 1x5i s VAL 56 Ca 0.60 0.49 -0.07 0.00 0.00 0.00 0.00 61.98 63.00 1x5i s VAL 56 Cb -0.30 -3.64 0.02 0.00 0.00 0.00 0.00 36.38 32.46 1x5i s VAL 56 CO 0.27 -0.41 0.09 -0.69 0.00 0.00 0.00 175.10 174.37 1x5i s VAL 57 N 6.81 3.92 -0.07 2.92 1.01 -1.26 -4.73 120.40 129.00 1x5i s VAL 57 Ca 0.80 -0.84 -0.25 0.00 0.00 0.00 0.00 61.98 61.69 1x5i s VAL 57 Cb -0.23 -3.09 -0.25 0.00 0.00 0.00 0.00 36.38 32.82 1x5i s VAL 57 CO 0.34 -0.01 0.96 0.03 0.00 0.00 0.00 175.10 176.42 1x5i h ARG 58 N 8.23 0.14 -2.06 2.72 2.47 -1.93 -3.45 114.38 120.50 1x5i h ARG 58 Ca -0.29 -0.17 0.29 0.00 -1.26 0.00 0.00 59.98 58.55 1x5i h ARG 58 Cb 1.11 0.05 -0.07 0.00 -1.65 0.00 0.00 29.97 29.41 1x5i h ARG 58 CO 0.61 0.96 0.78 0.20 0.56 0.00 0.00 179.97 183.08 1x5i s GLY 59 N -4.01 -0.15 0.37 0.04 0.00 -1.19 -3.48 107.32 98.89 1x5i s GLY 59 Ca -0.16 0.12 0.05 0.00 0.00 0.00 0.00 44.72 44.73 1x5i s GLY 59 CO 0.74 3.10 0.04 -0.19 0.00 0.00 0.00 173.10 176.78 1x5i s TYR 60 N -2.24 2.18 -0.03 1.90 1.51 -1.26 -2.51 117.35 116.90 1x5i s TYR 60 Ca 0.23 -0.86 0.06 0.00 -1.01 0.00 0.00 57.07 55.49 1x5i s TYR 60 Cb 0.00 -1.49 -0.01 0.00 -0.11 0.00 0.00 41.96 40.35 1x5i s TYR 60 CO 0.00 0.18 -0.22 0.00 -1.11 0.00 0.00 175.55 174.40 1x5i s ALA 61 N -3.04 1.89 -0.29 3.71 0.00 -0.83 -3.56 121.76 119.63 1x5i s ALA 61 Ca 0.34 -0.94 0.01 0.00 0.00 0.00 0.00 51.96 51.38 1x5i s ALA 61 Cb 0.09 -0.54 0.07 0.00 0.00 0.00 0.00 23.12 22.73 1x5i s ALA 61 CO 0.16 0.41 -0.03 0.42 0.00 0.00 0.00 175.76 176.72 1x5i s ILE 62 N -0.30 2.51 -0.16 0.00 1.01 0.61 -2.86 121.20 122.01 1x5i s ILE 62 Ca 0.02 -1.70 -0.07 0.00 0.00 0.00 0.00 60.65 58.90 1x5i s ILE 62 Cb -0.11 -2.54 -0.04 0.00 0.01 0.00 0.00 42.46 39.78 1x5i s ILE 62 CO 0.01 -0.18 0.09 -0.83 0.00 0.00 0.00 174.94 174.02 1x5i s GLY 63 N 1.16 1.98 0.06 6.18 0.00 -1.05 0.34 107.32 115.99 1x5i s GLY 63 Ca -0.04 -0.72 0.00 0.00 0.00 0.00 0.00 44.72 43.97 1x5i s GLY 63 CO -0.04 -0.07 -0.04 -2.52 0.00 0.00 0.00 173.10 170.42 1x5i s TYR 64 N -0.02 0.63 0.00 1.90 -0.85 -0.51 -0.57 117.35 117.92 1x5i s TYR 64 Ca 0.07 -0.94 0.00 0.00 -0.52 0.00 0.00 57.07 55.69 1x5i s TYR 64 Cb -0.12 -0.41 0.00 0.00 0.38 0.00 0.00 41.96 41.81 1x5i s TYR 64 CO 0.01 -0.27 0.00 0.41 -1.52 0.00 0.00 175.55 174.17 1x5i n GLY 65 N 0.27 4.41 3.65 5.49 0.00 -1.24 -2.08 105.19 115.69 1x5i n GLY 65 Ca -0.15 -0.67 -0.43 0.00 0.00 0.00 0.00 46.02 44.78 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 -1.25 3.64 0.00 -0.61 1.09 -1.26 -2.89 121.20 119.92 1x5i s ILE 66 Ca 0.00 0.76 0.00 0.00 -1.10 0.00 0.00 60.65 60.31 1x5i s ILE 66 Cb 0.00 -3.56 0.00 0.00 -1.06 0.00 0.00 42.46 37.84 1x5i s ILE 66 CO 0.00 -0.14 0.00 0.61 -0.10 0.00 0.00 174.94 175.31 1x5i n GLY 67 N 4.33 3.05 3.59 6.18 0.00 -1.26 -4.96 105.19 116.13 1x5i n GLY 67 Ca 0.18 -0.85 -0.14 0.00 0.00 0.00 0.00 46.02 45.21 1x5i n GLY 67 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x5i s SER 68 N 0.00 -0.71 0.48 1.61 0.15 -1.14 -5.04 113.70 109.05 1x5i s SER 68 Ca 0.00 1.32 0.27 0.00 0.70 0.00 0.00 55.95 58.24 1x5i s SER 68 Cb 0.00 1.32 1.14 0.00 -1.71 0.00 0.00 66.02 66.77 1x5i s SER 68 CO 0.00 -0.28 1.91 1.55 1.20 0.00 0.00 173.24 177.62 1x5i h PRO 69 N 4.82 0.00 -0.61 5.44 0.13 -1.74 -3.02 132.00 137.02 1x5i h PRO 69 Ca -0.29 0.00 0.18 0.00 -0.87 0.00 0.00 66.00 65.02 1x5i h PRO 69 Cb 1.16 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 1x5i h PRO 69 CO 0.10 0.16 0.48 0.45 -0.23 0.00 0.00 178.00 178.97 1x5i h HIS 70 N 0.00 0.00 -0.49 1.56 3.86 -1.91 -2.79 115.15 115.38 1x5i h HIS 70 Ca -0.00 0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.25 1x5i h HIS 70 Cb 0.61 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.02 1x5i h HIS 70 CO 0.00 0.00 -0.32 0.00 0.86 0.00 0.00 177.93 178.47 1x5i h ALA 71 N 1.60 -0.35 -3.09 2.45 0.00 -1.69 -3.42 119.26 114.75 1x5i h ALA 71 Ca 0.29 0.05 -0.35 0.00 0.00 0.00 0.00 54.91 54.90 1x5i h ALA 71 Cb 1.25 1.16 -0.20 0.00 0.00 0.00 0.00 17.79 20.00 1x5i h ALA 71 CO -0.00 -0.56 -0.75 -0.65 0.00 0.00 0.00 179.25 177.29 1x5i s GLN 72 N -4.37 0.77 0.00 0.00 -1.52 -0.88 -5.04 119.66 108.62 1x5i s GLN 72 Ca -0.07 -0.99 0.01 0.00 -1.95 0.00 0.00 55.36 52.36 1x5i s GLN 72 Cb 0.06 -0.60 -0.01 0.00 -0.22 0.00 0.00 33.01 32.24 1x5i s GLN 72 CO 0.34 0.12 -0.05 0.99 -0.25 0.00 0.00 175.29 176.44 1x5i s THR 73 N -1.75 0.35 -0.10 -0.19 2.01 -1.26 -1.43 115.64 113.27 1x5i s THR 73 Ca -0.01 -0.31 0.02 0.00 0.31 0.00 0.00 61.69 61.71 1x5i s THR 73 Cb -0.07 -0.32 0.01 0.00 0.01 0.00 0.00 72.50 72.13 1x5i s THR 73 CO 0.01 0.02 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.18 1x5i s ILE 74 N -0.29 1.45 -0.10 1.82 1.01 0.15 -4.94 121.20 120.31 1x5i s ILE 74 Ca -0.00 -0.63 -0.02 0.00 0.00 0.00 0.00 60.65 60.00 1x5i s ILE 74 Cb -0.03 -1.32 -0.03 0.00 0.01 0.00 0.00 42.46 41.09 1x5i s ILE 74 CO -0.00 0.43 -0.02 -0.54 0.00 0.00 0.00 174.94 174.81 1x5i s LYS 75 N 0.89 3.08 0.18 2.79 -0.14 -1.26 -0.28 119.74 125.00 1x5i s LYS 75 Ca -0.09 -0.46 0.04 0.00 -1.36 0.00 0.00 55.97 54.10 1x5i s LYS 75 Cb -0.15 -2.78 -0.01 0.00 -1.68 0.00 0.00 37.83 33.20 1x5i s LYS 75 CO 0.00 0.60 0.13 1.33 -0.76 0.00 0.00 175.35 176.65 1x5i n VAL 76 N 2.45 0.00 -3.47 3.17 0.24 -1.23 -5.05 118.33 114.44 1x5i n VAL 76 Ca -0.18 -1.24 -0.28 0.00 -2.04 0.00 0.00 64.34 60.59 1x5i n VAL 76 Cb 0.53 0.58 -0.03 0.00 -1.47 0.00 0.00 33.84 33.45 1x5i n VAL 76 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1x5i s ASP 77 N -2.22 6.42 0.18 -1.34 1.01 -1.26 -4.06 116.67 115.40 1x5i s ASP 77 Ca 0.18 0.60 -0.20 0.00 0.71 0.00 0.00 52.55 53.84 1x5i s ASP 77 Cb 0.01 -2.09 0.11 0.00 1.01 0.00 0.00 42.92 41.95 1x5i s ASP 77 CO 0.13 -0.14 1.60 0.10 0.21 0.00 0.00 175.17 177.07 1x5i h TYR 78 N 1.81 -0.76 -0.88 4.23 -0.00 -1.87 -0.59 116.97 118.90 1x5i h TYR 78 Ca -0.48 0.06 0.22 0.00 0.00 0.00 0.00 58.73 58.53 1x5i h TYR 78 Cb 1.19 0.41 -0.16 0.00 0.00 0.00 0.00 36.73 38.16 1x5i h TYR 78 CO 0.57 -0.35 -0.06 1.63 -0.00 0.00 0.00 178.16 179.95 1x5i n LYS 79 N -5.42 -0.07 -1.66 0.10 5.02 -1.26 -4.37 118.16 110.51 1x5i n LYS 79 Ca 0.03 1.33 -0.49 0.00 -2.02 0.00 0.00 58.31 57.16 1x5i n LYS 79 Cb 0.33 -2.08 -0.05 0.00 -0.02 0.00 0.00 35.03 33.22 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 -5.33 1.84 -0.11 1.97 3.00 -0.23 -4.88 117.38 113.64 1x5i n GLN 80 Ca 0.19 0.67 -0.13 0.00 -0.01 0.00 0.00 57.00 57.71 1x5i n GLN 80 Cb 0.60 -2.41 -0.15 0.00 0.00 0.00 0.00 30.24 28.28 1x5i n GLN 80 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 1x5i n ARG 81 N 4.02 0.68 -3.81 -1.09 0.00 -1.26 -4.92 116.66 110.27 1x5i n ARG 81 Ca 0.19 0.05 -0.10 0.00 -0.00 0.00 0.00 57.85 57.99 1x5i n ARG 81 Cb 0.25 -1.52 -0.07 0.00 0.00 0.00 0.00 32.46 31.12 1x5i n ARG 81 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.63 179.15 1x5i s TYR 82 N -2.50 0.05 -0.08 -0.14 1.13 -1.26 -1.71 117.35 112.84 1x5i s TYR 82 Ca -0.19 -0.36 0.02 0.00 -1.41 0.00 0.00 57.07 55.13 1x5i s TYR 82 Cb 0.07 0.01 0.01 0.00 -1.10 0.00 0.00 41.96 40.95 1x5i s TYR 82 CO 0.74 -0.52 -0.14 -0.47 -2.51 0.00 0.00 175.55 172.65 1x5i s TYR 83 N -3.30 1.73 -0.75 -3.49 6.14 0.93 -4.93 117.35 113.67 1x5i s TYR 83 Ca 0.00 -0.71 -0.16 0.00 0.64 0.00 0.00 57.07 56.85 1x5i s TYR 83 Cb 0.02 -1.25 0.17 0.00 0.42 0.00 0.00 41.96 41.32 1x5i s TYR 83 CO -0.08 -0.36 0.77 0.99 0.64 0.00 0.00 175.55 177.51 1x5i s THR 84 N 0.76 5.26 -0.54 4.34 2.01 -1.26 -0.08 115.64 126.13 1x5i s THR 84 Ca -0.12 -1.89 -0.28 0.00 0.31 0.00 0.00 61.69 59.71 1x5i s THR 84 Cb -0.16 -4.50 0.00 0.00 0.01 0.00 0.00 72.50 67.85 1x5i s THR 84 CO 0.03 -1.10 1.56 -0.63 -0.69 0.00 0.00 174.62 173.79 1x5i s ILE 85 N 1.27 3.65 0.45 1.82 1.01 -0.52 -4.83 121.20 124.05 1x5i s ILE 85 Ca 0.17 0.55 0.00 0.00 0.00 0.00 0.00 60.65 61.37 1x5i s ILE 85 Cb -0.15 -4.22 0.09 0.00 0.01 0.00 0.00 42.46 38.18 1x5i s ILE 85 CO -0.04 -1.01 0.61 -0.62 0.00 0.00 0.00 174.94 173.88 1x5i n GLU 86 N 8.73 0.20 -3.89 2.79 1.02 -1.26 -1.45 120.64 126.78 1x5i n GLU 86 Ca 0.15 -1.70 -0.27 0.00 -0.02 0.00 0.00 57.16 55.32 1x5i n GLU 86 Cb 0.49 -0.40 -0.00 0.00 -0.02 0.00 0.00 31.44 31.51 1x5i n GLU 86 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1x5i n ASN 87 N -2.92 -1.62 -3.80 1.62 0.23 -1.11 -4.91 115.26 102.74 1x5i n ASN 87 Ca 0.10 -1.02 -0.16 0.00 -0.53 0.00 0.00 54.58 52.97 1x5i n ASN 87 Cb 0.37 -3.10 0.00 0.00 -2.08 0.00 0.00 39.78 34.97 1x5i n ASN 87 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1x5i n LEU 88 N -4.37 0.00 -4.38 -4.53 4.77 -0.73 -5.05 117.00 102.71 1x5i n LEU 88 Ca -0.25 -1.81 -0.36 0.00 -0.03 0.00 0.00 56.01 53.56 1x5i n LEU 88 Cb 0.66 -0.04 -0.13 0.00 -2.33 0.00 0.00 43.42 41.58 1x5i n LEU 88 CO 0.73 -0.48 -0.31 -0.62 -1.33 0.00 0.00 177.39 175.38 1x5i s ASP 89 N -3.06 4.89 0.90 -1.43 2.15 -1.26 -4.81 116.67 114.04 1x5i s ASP 89 Ca 0.21 -0.39 -0.12 0.00 0.43 0.00 0.00 52.55 52.68 1x5i s ASP 89 Cb -0.02 -1.86 0.13 0.00 -0.30 0.00 0.00 42.92 40.88 1x5i s ASP 89 CO 0.13 -0.07 1.09 -2.16 -0.17 0.00 0.00 175.17 173.99 1x5i s PRO 90 N 1.55 1.22 -1.33 4.34 0.04 -1.24 -4.01 135.00 135.57 1x5i s PRO 90 Ca 0.05 0.81 -0.01 0.00 0.04 0.00 0.00 61.00 61.90 1x5i s PRO 90 Cb -0.15 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.58 1x5i s PRO 90 CO 0.01 -2.26 0.68 0.43 0.04 0.00 0.00 177.00 175.90 1x5i n SER 91 N -3.90 -1.19 -3.69 6.66 7.64 -1.01 -4.94 113.62 113.21 1x5i n SER 91 Ca 0.07 -0.84 -0.11 0.00 1.01 0.00 0.00 58.87 59.00 1x5i n SER 91 Cb 0.55 -3.95 -0.10 0.00 -1.01 0.00 0.00 64.21 59.71 1x5i n SER 91 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x5i s SER 92 N -4.33 -0.61 -0.42 6.43 0.01 -1.26 -4.98 113.70 108.55 1x5i s SER 92 Ca 0.03 1.06 -0.29 0.00 1.31 0.00 0.00 55.95 58.05 1x5i s SER 92 Cb -0.01 0.97 0.02 0.00 0.21 0.00 0.00 66.02 67.21 1x5i s SER 92 CO 0.82 -0.20 1.15 -2.28 0.41 0.00 0.00 173.24 173.15 1x5i s HIS 93 N 1.11 2.87 -0.22 2.43 5.65 -1.26 -3.03 115.29 122.83 1x5i s HIS 93 Ca -0.07 0.86 -0.09 0.00 0.25 0.00 0.00 55.06 56.01 1x5i s HIS 93 Cb -0.06 -4.18 -0.04 0.00 -1.18 0.00 0.00 32.58 27.11 1x5i s HIS 93 CO -0.10 -1.22 0.12 0.71 -0.65 0.00 0.00 174.74 173.60 1x5i s TYR 94 N 4.30 3.26 -0.58 3.88 1.51 -0.55 -4.54 117.35 124.62 1x5i s TYR 94 Ca 0.49 0.08 -0.22 0.00 -1.01 0.00 0.00 57.07 56.40 1x5i s TYR 94 Cb -0.10 -2.21 0.06 0.00 -0.11 0.00 0.00 41.96 39.60 1x5i s TYR 94 CO 0.27 0.02 0.87 0.08 -1.11 0.00 0.00 175.55 175.68 1x5i s VAL 95 N 0.96 4.49 -0.12 0.71 1.01 -1.22 -2.69 120.40 123.54 1x5i s VAL 95 Ca 0.06 -0.17 -0.14 0.00 0.00 0.00 0.00 61.98 61.73 1x5i s VAL 95 Cb -0.13 -4.54 -0.05 0.00 0.00 0.00 0.00 36.38 31.66 1x5i s VAL 95 CO 0.03 -1.17 0.31 -0.63 0.00 0.00 0.00 175.10 173.64 1x5i s ILE 96 N 3.65 5.27 0.28 2.22 1.09 -1.25 -3.70 121.20 128.75 1x5i s ILE 96 Ca 0.23 0.60 0.08 0.00 -1.10 0.00 0.00 60.65 60.47 1x5i s ILE 96 Cb -0.16 -3.64 -0.06 0.00 -1.06 0.00 0.00 42.46 37.55 1x5i s ILE 96 CO 0.14 0.45 -0.11 0.42 -0.10 0.00 0.00 174.94 175.73 1x5i s THR 97 N 0.01 1.95 -0.13 2.92 -4.23 0.26 -2.03 115.64 114.39 1x5i s THR 97 Ca 0.18 -2.22 -0.07 0.00 -1.18 0.00 0.00 61.69 58.41 1x5i s THR 97 Cb -0.14 -2.37 0.05 0.00 1.34 0.00 0.00 72.50 71.39 1x5i s THR 97 CO 0.06 -0.37 0.31 -0.22 -0.54 0.00 0.00 174.62 173.87 1x5i s LEU 98 N -3.46 0.19 -0.01 4.79 2.96 -1.22 -2.54 118.68 119.39 1x5i s LEU 98 Ca 0.29 0.67 0.01 0.00 -0.22 0.00 0.00 54.13 54.88 1x5i s LEU 98 Cb 0.01 0.98 0.01 0.00 0.50 0.00 0.00 46.19 47.69 1x5i s LEU 98 CO 0.12 -0.18 -0.01 -1.59 -1.32 0.00 0.00 176.35 173.37 1x5i s LYS 99 N 1.34 0.23 -0.13 1.98 -2.85 -1.13 -0.09 119.74 119.09 1x5i s LYS 99 Ca -0.09 -0.03 -0.20 0.00 -1.00 0.00 0.00 55.97 54.66 1x5i s LYS 99 Cb -0.10 -0.29 -0.04 0.00 -2.06 0.00 0.00 37.83 35.34 1x5i s LYS 99 CO -0.10 -0.02 0.54 0.00 0.10 0.00 0.00 175.35 175.88 1x5i s ALA 100 N 0.33 3.46 0.03 0.59 0.00 -1.26 -1.96 121.76 122.95 1x5i s ALA 100 Ca -0.03 -0.16 0.03 0.00 0.00 0.00 0.00 51.96 51.80 1x5i s ALA 100 Cb -0.06 -2.77 -0.02 0.00 0.00 0.00 0.00 23.12 20.28 1x5i s ALA 100 CO -0.01 -0.14 -0.11 -0.59 0.00 0.00 0.00 175.76 174.92 1x5i s PHE 101 N 0.94 0.93 0.20 0.00 -0.71 -1.04 -0.15 117.98 118.14 1x5i s PHE 101 Ca 0.28 -0.32 0.04 0.00 -1.04 0.00 0.00 56.93 55.89 1x5i s PHE 101 Cb -0.16 -0.56 -0.01 0.00 -1.21 0.00 0.00 43.02 41.08 1x5i s PHE 101 CO 0.12 -0.01 0.19 0.27 -1.34 0.00 0.00 175.22 174.45 1x5i n ASN 102 N 2.10 -0.50 -0.12 1.98 6.94 0.54 -3.18 115.26 123.03 1x5i n ASN 102 Ca -0.18 -2.27 0.20 0.00 -0.02 0.00 0.00 54.58 52.31 1x5i n ASN 102 Cb 0.56 1.10 0.62 0.00 -2.36 0.00 0.00 39.78 39.69 1x5i n ASN 102 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1x5i h ASN 103 N 1.21 0.17 -0.20 0.53 -1.07 -1.95 -0.79 115.58 113.48 1x5i h ASN 103 Ca -0.14 0.01 -0.09 0.00 0.07 0.00 0.00 56.30 56.15 1x5i h ASN 103 Cb 0.71 -0.02 -0.00 0.00 -2.07 0.00 0.00 38.32 36.94 1x5i h ASN 103 CO 0.21 0.08 -0.22 0.58 0.07 0.00 0.00 177.43 178.15 1x5i h VAL 104 N 0.18 1.33 0.00 6.14 2.07 -1.86 -3.50 116.25 120.62 1x5i h VAL 104 Ca 0.35 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 66.48 1x5i h VAL 104 Cb 1.12 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 32.65 1x5i h VAL 104 CO -0.06 0.42 0.00 0.61 0.02 0.00 0.00 177.57 178.56 1x5i n GLY 105 N 0.20 -1.42 3.94 2.17 0.00 -0.30 -4.87 105.19 104.92 1x5i n GLY 105 Ca -0.05 -1.15 -0.25 0.00 0.00 0.00 0.00 46.02 44.57 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 -1.60 3.49 0.00 1.61 8.01 -1.26 -0.34 118.70 128.61 1x5i s GLU 106 Ca 0.00 -0.46 0.00 0.00 0.01 0.00 0.00 54.97 54.52 1x5i s GLU 106 Cb 0.00 -2.83 0.00 0.00 -4.31 0.00 0.00 34.13 26.99 1x5i s GLU 106 CO 0.00 0.38 0.00 0.41 0.01 0.00 0.00 175.26 176.06 1x5i n GLY 107 N -1.00 2.88 3.64 -1.39 0.00 0.78 -4.87 105.19 105.23 1x5i n GLY 107 Ca -0.06 -1.89 -0.36 0.00 0.00 0.00 0.00 46.02 43.71 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 2.64 5.18 0.81 -0.61 -0.00 -1.26 -4.83 121.20 123.11 1x5i s ILE 108 Ca 0.00 0.11 -0.11 0.00 -0.00 0.00 0.00 60.65 60.66 1x5i s ILE 108 Cb 0.00 -3.40 0.08 0.00 -0.00 0.00 0.00 42.46 39.13 1x5i s ILE 108 CO 0.00 0.36 1.09 -2.16 -0.00 0.00 0.00 174.94 174.24 1x5i s PRO 109 N 0.99 1.99 0.32 0.37 0.04 -1.26 -4.27 135.00 133.17 1x5i s PRO 109 Ca 0.07 1.08 0.08 0.00 0.04 0.00 0.00 61.00 62.27 1x5i s PRO 109 Cb -0.13 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 1x5i s PRO 109 CO 0.04 -1.81 0.16 -0.51 0.04 0.00 0.00 177.00 174.92 1x5i s LEU 110 N -6.00 3.38 -0.13 -3.56 1.43 0.88 -4.87 118.68 109.81 1x5i s LEU 110 Ca 0.62 -0.64 0.02 0.00 -1.03 0.00 0.00 54.13 53.10 1x5i s LEU 110 Cb -0.17 -1.90 0.01 0.00 0.03 0.00 0.00 46.19 44.16 1x5i s LEU 110 CO 0.56 -0.24 -0.18 -0.31 0.23 0.00 0.00 176.35 176.41 1x5i s TYR 111 N -2.35 2.32 0.38 0.29 1.51 -1.26 -3.46 117.35 114.77 1x5i s TYR 111 Ca 0.37 -1.16 0.05 0.00 -1.01 0.00 0.00 57.07 55.32 1x5i s TYR 111 Cb -0.04 -1.62 -0.03 0.00 -0.11 0.00 0.00 41.96 40.16 1x5i s TYR 111 CO 0.23 -0.57 0.18 -1.21 -1.11 0.00 0.00 175.55 173.07 1x5i s GLU 112 N 0.98 1.86 -0.03 -0.62 0.41 -0.86 -5.04 118.70 115.40 1x5i s GLU 112 Ca -0.05 -2.12 -0.02 0.00 -0.41 0.00 0.00 54.97 52.37 1x5i s GLU 112 Cb -0.15 -0.29 0.01 0.00 -1.78 0.00 0.00 34.13 31.92 1x5i s GLU 112 CO -0.03 -0.54 0.06 -1.54 -0.49 0.00 0.00 175.26 172.73 1x5i s SER 113 N -3.53 -0.05 -0.22 -0.19 1.04 -1.26 -3.83 113.70 105.66 1x5i s SER 113 Ca 0.29 0.13 -0.03 0.00 0.48 0.00 0.00 55.95 56.81 1x5i s SER 113 Cb 0.02 0.11 0.12 0.00 0.10 0.00 0.00 66.02 66.37 1x5i s SER 113 CO 0.19 -0.04 0.33 0.00 0.98 0.00 0.00 173.24 174.69 1x5i s ALA 114 N 0.20 -0.82 -0.44 5.32 0.00 -1.09 -4.85 121.76 120.09 1x5i s ALA 114 Ca -0.01 0.75 -0.16 0.00 0.00 0.00 0.00 51.96 52.53 1x5i s ALA 114 Cb -0.02 -1.52 0.04 0.00 0.00 0.00 0.00 23.12 21.62 1x5i s ALA 114 CO -0.01 -1.19 0.39 0.08 0.00 0.00 0.00 175.76 175.03 1x5i s VAL 115 N 2.48 5.18 0.34 0.00 1.01 -1.26 -1.48 120.40 126.66 1x5i s VAL 115 Ca 0.10 -0.67 -0.29 0.00 0.00 0.00 0.00 61.98 61.12 1x5i s VAL 115 Cb -0.15 -4.04 -0.11 0.00 0.00 0.00 0.00 36.38 32.08 1x5i s VAL 115 CO -0.14 -0.45 1.50 0.35 0.00 0.00 0.00 175.10 176.36 1x5i n THR 116 N 5.28 1.66 -1.94 3.92 -2.24 -1.17 -4.73 114.28 115.07 1x5i n THR 116 Ca -0.10 -0.42 -0.36 0.00 -2.27 0.00 0.00 64.05 60.90 1x5i n THR 116 Cb 0.46 -1.92 0.04 0.00 -2.10 0.00 0.00 70.33 66.81 1x5i n THR 116 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1x5i s ARG 117 N -1.54 2.86 -0.33 -0.78 0.52 -1.26 -2.39 118.95 116.04 1x5i s ARG 117 Ca 0.57 1.88 -0.29 0.00 -0.52 0.00 0.00 55.73 57.38 1x5i s ARG 117 Cb -0.49 -1.91 -0.01 0.00 0.52 0.00 0.00 34.95 33.05 1x5i s ARG 117 CO 0.59 -1.31 1.68 -1.25 0.02 0.00 0.00 175.30 175.03 1x5i s PRO 118 N -3.35 3.46 0.12 3.54 0.04 -1.26 -3.43 135.00 134.13 1x5i s PRO 118 Ca 0.79 1.36 -0.26 0.00 0.04 0.00 0.00 61.00 62.92 1x5i s PRO 118 Cb -0.32 -4.13 -0.06 0.00 0.04 0.00 0.00 34.50 30.03 1x5i s PRO 118 CO 0.35 -1.70 1.63 1.25 0.04 0.00 0.00 177.00 178.56 1x5i h HIS 119 N 12.04 -0.78 -7.00 0.56 2.76 -1.91 -3.39 115.15 117.43 1x5i h HIS 119 Ca -0.32 0.02 -0.59 0.00 -2.20 0.00 0.00 60.37 57.28 1x5i h HIS 119 Cb 1.15 0.34 -0.32 0.00 1.55 0.00 0.00 27.41 30.13 1x5i h HIS 119 CO 0.95 -0.38 -0.86 0.25 -1.30 0.00 0.00 177.93 176.59 1x5i n THR 120 N -5.39 -0.31 -4.27 6.26 -2.24 -1.26 0.05 114.28 107.11 1x5i n THR 120 Ca -0.05 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.35 1x5i n THR 120 Cb 0.31 -0.85 -0.07 0.00 -2.10 0.00 0.00 70.33 67.61 1x5i n THR 120 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1x5i n SER 121 N -2.49 -1.69 0.00 3.42 3.41 -1.26 -4.47 113.62 110.53 1x5i n SER 121 Ca 0.10 -1.08 0.00 0.00 -0.26 0.00 0.00 58.87 57.64 1x5i n SER 121 Cb 0.46 -1.49 0.00 0.00 -0.26 0.00 0.00 64.21 62.93 1x5i n SER 121 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x5i n GLY 122 N -1.00 0.44 0.00 5.00 0.00 0.11 -5.01 105.19 104.73 1x5i n GLY 122 Ca 0.11 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.20 1x5i n GLY 122 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x5i n PRO 123 N 0.00 0.25 -1.67 1.61 -0.04 -0.98 -4.83 135.00 129.34 1x5i n PRO 123 Ca 0.00 0.12 -0.38 0.00 -0.04 0.00 0.00 63.50 63.21 1x5i n PRO 123 Cb 0.00 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.02 1x5i n PRO 123 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x5i n SER 124 N -1.24 1.45 -2.92 3.54 2.88 -1.26 -2.96 113.62 113.11 1x5i n SER 124 Ca 0.08 0.84 -0.18 0.00 -1.33 0.00 0.00 58.87 58.27 1x5i n SER 124 Cb 0.11 -1.47 0.06 0.00 -0.75 0.00 0.00 64.21 62.16 1x5i n SER 124 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x5i n SER 125 N -1.19 -4.98 0.00 -3.46 2.88 -1.26 -5.20 113.62 100.41 1x5i n SER 125 Ca 0.14 -0.43 0.00 0.00 -1.33 0.00 0.00 58.87 57.25 1x5i n SER 125 Cb 0.47 -4.06 0.00 0.00 -0.75 0.00 0.00 64.21 59.87 1x5i n SER 125 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42