#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5i n SER 2 N 0.00 1.42 -4.97 1.61 7.64 -1.26 -5.06 113.62 113.01 1x5i n SER 2 Ca 0.00 0.23 -0.20 0.00 1.01 0.00 0.00 58.87 59.91 1x5i n SER 2 Cb 0.00 -0.60 0.06 0.00 -1.01 0.00 0.00 64.21 62.66 1x5i n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x5i s SER 3 N -5.61 5.08 0.00 6.43 0.01 -1.26 -5.11 113.70 113.25 1x5i s SER 3 Ca -0.18 -0.65 0.00 0.00 1.31 0.00 0.00 55.95 56.42 1x5i s SER 3 Cb 0.03 0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.28 1x5i s SER 3 CO 0.27 -1.32 0.00 0.61 0.41 0.00 0.00 173.24 173.22 1x5i n GLY 4 N -2.28 2.03 0.80 3.44 0.00 -1.26 -5.11 105.19 102.81 1x5i n GLY 4 Ca 0.14 0.21 -0.02 0.00 0.00 0.00 0.00 46.02 46.35 1x5i n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x5i n SER 5 N 0.00 0.97 -4.30 1.61 2.88 -1.26 -5.01 113.62 108.52 1x5i n SER 5 Ca 0.00 0.14 -0.36 0.00 -1.33 0.00 0.00 58.87 57.31 1x5i n SER 5 Cb 0.00 -0.35 -0.05 0.00 -0.75 0.00 0.00 64.21 63.06 1x5i n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x5i n SER 6 N -3.41 -1.97 -4.09 -3.46 7.64 -1.26 -4.88 113.62 102.20 1x5i n SER 6 Ca -0.02 -1.11 -0.35 0.00 1.01 0.00 0.00 58.87 58.39 1x5i n SER 6 Cb 0.09 -2.31 -0.07 0.00 -1.01 0.00 0.00 64.21 60.91 1x5i n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x5i s GLY 7 N -3.55 3.07 1.14 0.23 0.00 -1.26 -5.08 107.32 101.87 1x5i s GLY 7 Ca 0.59 -3.85 -0.17 0.00 0.00 0.00 0.00 44.72 41.29 1x5i s GLY 7 CO 0.96 1.18 1.10 2.56 0.00 0.00 0.00 173.10 178.91 1x5i s PRO 8 N -1.39 -0.71 -0.30 2.90 0.04 -1.26 -5.09 135.00 129.20 1x5i s PRO 8 Ca 0.27 0.12 -0.16 0.00 0.04 0.00 0.00 61.00 61.27 1x5i s PRO 8 Cb -0.07 -1.64 0.17 0.00 0.04 0.00 0.00 34.50 33.00 1x5i s PRO 8 CO -0.13 -3.41 1.07 0.00 0.04 0.00 0.00 177.00 174.57 1x5i s ALA 9 N -2.99 -2.69 -0.23 8.56 0.00 -1.26 -5.18 121.76 117.97 1x5i s ALA 9 Ca 0.69 2.04 -0.28 0.00 0.00 0.00 0.00 51.96 54.41 1x5i s ALA 9 Cb -0.13 -2.00 0.14 0.00 0.00 0.00 0.00 23.12 21.13 1x5i s ALA 9 CO 0.57 -0.73 1.08 -0.08 0.00 0.00 0.00 175.76 176.60 1x5i s THR 10 N 1.94 0.00 -0.15 0.00 -1.32 -1.26 -5.17 115.64 109.67 1x5i s THR 10 Ca -0.04 0.00 -0.09 0.00 -1.21 0.00 0.00 61.69 60.34 1x5i s THR 10 Cb -0.04 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 70.00 1x5i s THR 10 CO -0.16 0.00 0.38 1.51 -2.21 0.00 0.00 174.62 174.14 1x5i s ASP 11 N -0.54 -0.45 0.02 8.08 -4.77 -1.26 -5.06 116.67 112.70 1x5i s ASP 11 Ca 0.02 0.80 -0.02 0.00 -3.30 0.00 0.00 52.55 50.05 1x5i s ASP 11 Cb -0.02 0.71 -0.01 0.00 -1.09 0.00 0.00 42.92 42.51 1x5i s ASP 11 CO -0.04 -0.17 -0.04 0.79 0.70 0.00 0.00 175.17 176.41 1x5i n TRP 12 N 3.94 0.00 -4.03 2.11 7.02 -1.26 -5.00 117.44 120.22 1x5i n TRP 12 Ca -0.21 0.00 -0.31 0.00 -1.02 0.00 0.00 57.50 55.95 1x5i n TRP 12 Cb 0.55 -0.08 -0.07 0.00 -2.42 0.00 0.00 31.31 29.29 1x5i n TRP 12 CO 0.00 0.00 0.00 1.47 -2.02 0.00 0.00 177.69 177.14 1x5i n LEU 13 N -3.34 -0.74 -4.52 -0.99 -0.00 -1.26 -4.60 117.00 101.55 1x5i n LEU 13 Ca -0.04 -1.05 -0.34 0.00 -0.00 0.00 0.00 56.01 54.58 1x5i n LEU 13 Cb 0.31 -1.33 -0.11 0.00 -0.00 0.00 0.00 43.42 42.29 1x5i n LEU 13 CO 0.01 0.22 2.04 -1.20 -0.00 0.00 0.00 177.39 178.46 1x5i n SER 14 N -2.10 0.87 -3.64 1.45 7.64 -1.26 -4.80 113.62 111.78 1x5i n SER 14 Ca -0.06 -0.32 -0.04 0.00 1.01 0.00 0.00 58.87 59.46 1x5i n SER 14 Cb 0.46 -1.16 -0.07 0.00 -1.01 0.00 0.00 64.21 62.43 1x5i n SER 14 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x5i s ALA 15 N 9.47 -2.23 -1.02 -0.43 0.00 -1.26 -5.09 121.76 121.21 1x5i s ALA 15 Ca 1.19 1.93 -0.04 0.00 0.00 0.00 0.00 51.96 55.03 1x5i s ALA 15 Cb -0.73 -1.69 0.27 0.00 0.00 0.00 0.00 23.12 20.97 1x5i s ALA 15 CO 0.38 -0.24 1.13 0.39 0.00 0.00 0.00 175.76 177.43 1x5i n GLU 16 N 2.58 3.56 -4.30 0.00 -0.58 -1.26 -4.75 120.64 115.89 1x5i n GLU 16 Ca -0.14 -4.52 -0.38 0.00 -0.42 0.00 0.00 57.16 51.70 1x5i n GLU 16 Cb 0.57 -2.48 -0.05 0.00 -0.57 0.00 0.00 31.44 28.90 1x5i n GLU 16 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1x5i n THR 17 N 1.98 -0.42 0.01 2.62 -2.24 -1.26 -4.84 114.28 110.12 1x5i n THR 17 Ca 0.25 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 62.01 1x5i n THR 17 Cb 0.37 -0.98 -0.01 0.00 -2.10 0.00 0.00 70.33 67.61 1x5i n THR 17 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 1x5i h PHE 18 N -1.07 -0.16 -1.23 4.78 0.04 -2.00 -3.46 116.94 113.84 1x5i h PHE 18 Ca -0.56 0.00 0.15 0.00 2.80 0.00 0.00 57.97 60.36 1x5i h PHE 18 Cb 1.37 0.07 -0.26 0.00 2.20 0.00 0.00 35.95 39.33 1x5i h PHE 18 CO 0.69 -0.06 0.33 -2.00 -0.60 0.00 0.00 178.31 176.67 1x5i s GLU 19 N -3.29 0.31 -0.11 1.51 2.12 -1.26 -5.02 118.70 112.95 1x5i s GLU 19 Ca -0.02 0.65 0.00 0.00 0.36 0.00 0.00 54.97 55.96 1x5i s GLU 19 Cb 0.01 0.24 0.12 0.00 0.26 0.00 0.00 34.13 34.76 1x5i s GLU 19 CO 0.06 -0.08 1.54 0.45 -0.54 0.00 0.00 175.26 176.69 1x5i n SER 20 N 4.28 4.32 -0.53 -1.70 2.88 -1.26 -3.63 113.62 117.98 1x5i n SER 20 Ca -0.14 -2.49 0.06 0.00 -1.33 0.00 0.00 58.87 54.97 1x5i n SER 20 Cb 0.55 -0.80 0.11 0.00 -0.75 0.00 0.00 64.21 63.32 1x5i n SER 20 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1x5i n ASP 21 N 0.52 1.45 -4.98 -3.46 8.00 -1.26 -5.07 116.55 111.76 1x5i n ASP 21 Ca 0.13 -2.89 -0.20 0.00 0.71 0.00 0.00 54.79 52.53 1x5i n ASP 21 Cb 0.65 -0.38 0.03 0.00 -0.02 0.00 0.00 41.12 41.40 1x5i n ASP 21 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1x5i s LEU 22 N -1.89 3.35 -0.08 0.64 2.01 -1.24 -4.85 118.68 116.63 1x5i s LEU 22 Ca 0.27 -0.11 0.01 0.00 0.01 0.00 0.00 54.13 54.31 1x5i s LEU 22 Cb 0.26 -2.81 0.02 0.00 0.01 0.00 0.00 46.19 43.66 1x5i s LEU 22 CO -0.03 -1.07 -0.10 -1.81 1.01 0.00 0.00 176.35 174.34 1x5i s ASP 23 N -4.41 1.86 -0.18 2.29 1.11 0.15 -4.98 116.67 112.51 1x5i s ASP 23 Ca 0.57 -0.29 0.13 0.00 0.18 0.00 0.00 52.55 53.14 1x5i s ASP 23 Cb -0.10 -0.81 0.39 0.00 1.07 0.00 0.00 42.92 43.47 1x5i s ASP 23 CO 0.37 -0.02 1.20 1.21 1.18 0.00 0.00 175.17 179.11 1x5i n GLU 24 N 4.21 1.41 -0.03 8.23 2.13 -1.26 -1.25 120.64 134.07 1x5i n GLU 24 Ca -0.20 -3.05 0.05 0.00 0.66 0.00 0.00 57.16 54.63 1x5i n GLU 24 Cb 0.51 -1.48 -0.17 0.00 0.27 0.00 0.00 31.44 30.57 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 -1.06 0.38 -4.41 6.31 5.66 -1.26 -4.69 114.28 115.21 1x5i n THR 25 Ca 0.17 -0.60 -0.24 0.00 -3.05 0.00 0.00 64.05 60.33 1x5i n THR 25 Cb 0.71 -0.13 -0.11 0.00 -1.55 0.00 0.00 70.33 69.25 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 -3.24 1.51 0.30 1.09 1.70 -1.26 -5.02 118.95 114.04 1x5i s ARG 26 Ca -0.09 -1.60 -0.20 0.00 -0.47 0.00 0.00 55.73 53.37 1x5i s ARG 26 Cb 0.12 -1.64 -0.09 0.00 -0.57 0.00 0.00 34.95 32.76 1x5i s ARG 26 CO 0.89 0.33 0.81 0.14 -1.08 0.00 0.00 175.30 176.39 1x5i s VAL 27 N -2.18 4.49 -0.51 4.99 -7.23 -1.26 -4.79 120.40 113.91 1x5i s VAL 27 Ca 0.23 1.35 -0.27 0.00 -1.81 0.00 0.00 61.98 61.48 1x5i s VAL 27 Cb -0.06 -3.79 -0.02 0.00 0.56 0.00 0.00 36.38 33.08 1x5i s VAL 27 CO 0.11 0.01 1.79 -2.16 -0.31 0.00 0.00 175.10 174.54 1x5i s PRO 28 N -2.43 2.94 0.88 4.82 0.04 -1.26 -4.91 135.00 135.07 1x5i s PRO 28 Ca 0.50 0.89 -0.11 0.00 0.04 0.00 0.00 61.00 62.32 1x5i s PRO 28 Cb -0.14 -4.29 0.17 0.00 0.04 0.00 0.00 34.50 30.28 1x5i s PRO 28 CO 0.19 -2.34 0.38 0.39 0.04 0.00 0.00 177.00 175.66 1x5i n GLU 29 N 8.84 -1.28 -1.54 4.56 1.02 -1.26 -4.10 120.64 126.88 1x5i n GLU 29 Ca 0.21 -0.64 -0.46 0.00 -0.02 0.00 0.00 57.16 56.24 1x5i n GLU 29 Cb 0.50 -1.28 -0.02 0.00 -0.02 0.00 0.00 31.44 30.61 1x5i n GLU 29 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 1x5i n VAL 30 N -4.20 1.73 -1.18 2.62 3.14 -1.26 -4.59 118.33 114.59 1x5i n VAL 30 Ca 0.06 -0.43 -0.29 0.00 -2.96 0.00 0.00 64.34 60.72 1x5i n VAL 30 Cb 0.27 -0.72 0.16 0.00 -1.06 0.00 0.00 33.84 32.48 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 -1.16 0.70 0.18 1.45 0.04 -1.26 -4.84 135.00 130.11 1x5i s PRO 31 Ca 0.63 0.62 -0.21 0.00 0.04 0.00 0.00 61.00 62.09 1x5i s PRO 31 Cb -0.79 -1.76 0.10 0.00 0.04 0.00 0.00 34.50 32.09 1x5i s PRO 31 CO 0.57 -2.57 1.61 0.77 0.04 0.00 0.00 177.00 177.42 1x5i h SER 32 N -1.78 -0.96 -2.06 6.66 0.02 -1.68 -3.47 113.55 110.29 1x5i h SER 32 Ca -0.53 0.19 0.16 0.00 -0.84 0.00 0.00 61.79 60.77 1x5i h SER 32 Cb 1.31 0.48 -0.03 0.00 0.14 0.00 0.00 62.40 64.30 1x5i h SER 32 CO 0.56 -0.29 0.52 -0.24 -1.14 0.00 0.00 176.83 176.25 1x5i n SER 33 N -5.42 -1.29 -3.47 3.07 2.88 -1.26 -4.99 113.62 103.14 1x5i n SER 33 Ca 0.03 -1.62 -0.06 0.00 -1.33 0.00 0.00 58.87 55.89 1x5i n SER 33 Cb 0.33 2.09 -0.07 0.00 -0.75 0.00 0.00 64.21 65.81 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 -0.81 -0.09 2.46 2.96 -1.26 -3.04 118.68 118.91 1x5i s LEU 34 Ca 0.19 0.75 -0.02 0.00 -0.22 0.00 0.00 54.13 54.83 1x5i s LEU 34 Cb -0.02 1.49 -0.03 0.00 0.50 0.00 0.00 46.19 48.12 1x5i s LEU 34 CO 0.03 -0.26 0.01 -2.28 -1.32 0.00 0.00 176.35 172.54 1x5i s HIS 35 N 2.66 3.20 -0.03 5.38 5.65 0.27 -4.92 115.29 127.49 1x5i s HIS 35 Ca 0.07 0.22 0.02 0.00 0.25 0.00 0.00 55.06 55.62 1x5i s HIS 35 Cb -0.14 -1.80 0.01 0.00 -1.18 0.00 0.00 32.58 29.47 1x5i s HIS 35 CO -0.16 0.50 -0.08 0.14 -0.65 0.00 0.00 174.74 174.49 1x5i s VAL 36 N -0.90 0.75 -0.29 0.89 -7.23 -1.26 0.51 120.40 112.87 1x5i s VAL 36 Ca 0.14 -0.32 0.00 0.00 -1.81 0.00 0.00 61.98 59.99 1x5i s VAL 36 Cb -0.11 -0.69 0.06 0.00 0.56 0.00 0.00 36.38 36.20 1x5i s VAL 36 CO 0.03 0.25 -0.03 -0.60 -0.31 0.00 0.00 175.10 174.43 1x5i s ARG 37 N 0.38 2.27 0.04 4.82 3.52 -0.05 -4.88 118.95 125.04 1x5i s ARG 37 Ca -0.06 -1.37 -0.30 0.00 -0.13 0.00 0.00 55.73 53.86 1x5i s ARG 37 Cb -0.10 -3.10 -0.06 0.00 -1.56 0.00 0.00 34.95 30.13 1x5i s ARG 37 CO 0.01 -0.65 1.42 -1.25 -0.81 0.00 0.00 175.30 174.02 1x5i s PRO 38 N 1.16 4.29 0.20 5.12 0.04 -1.26 -0.86 135.00 143.69 1x5i s PRO 38 Ca -0.05 2.03 0.11 0.00 0.04 0.00 0.00 61.00 63.13 1x5i s PRO 38 Cb -0.20 -3.49 -0.04 0.00 0.04 0.00 0.00 34.50 30.80 1x5i s PRO 38 CO -0.03 -0.55 -0.24 -0.51 0.04 0.00 0.00 177.00 175.71 1x5i s LEU 39 N 2.08 2.44 0.00 -3.56 1.02 0.13 -4.69 118.68 116.09 1x5i s LEU 39 Ca 0.65 -0.87 0.00 0.00 0.02 0.00 0.00 54.13 53.93 1x5i s LEU 39 Cb -0.34 -1.17 0.00 0.00 0.02 0.00 0.00 46.19 44.71 1x5i s LEU 39 CO 0.28 0.12 0.44 0.52 0.02 0.00 0.00 176.35 177.73 1x5i n VAL 40 N 0.24 0.00 -1.31 -1.59 0.31 -1.26 -2.12 118.33 112.59 1x5i n VAL 40 Ca -0.12 0.73 0.03 0.00 -0.01 0.00 0.00 64.34 64.97 1x5i n VAL 40 Cb 0.56 -1.02 0.20 0.00 -0.91 0.00 0.00 33.84 32.68 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 -1.74 2.31 -4.04 2.52 -2.24 -1.26 -3.71 114.28 106.12 1x5i n THR 41 Ca 0.00 -2.55 -0.14 0.00 -2.27 0.00 0.00 64.05 59.08 1x5i n THR 41 Cb 0.00 -0.28 -0.03 0.00 -2.10 0.00 0.00 70.33 67.93 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 -2.59 0.88 -0.29 3.42 1.04 -0.90 -3.36 113.70 111.89 1x5i s SER 42 Ca 0.41 -1.48 -0.00 0.00 0.48 0.00 0.00 55.95 55.35 1x5i s SER 42 Cb 0.36 0.71 0.18 0.00 0.10 0.00 0.00 66.02 67.38 1x5i s SER 42 CO 0.01 -1.40 0.55 -0.63 0.98 0.00 0.00 173.24 172.76 1x5i s ILE 43 N -2.80 -0.92 -0.85 -1.02 1.01 -0.74 0.18 121.20 116.05 1x5i s ILE 43 Ca 0.28 -0.02 -0.24 0.00 0.00 0.00 0.00 60.65 60.67 1x5i s ILE 43 Cb -0.01 -0.97 0.05 0.00 0.01 0.00 0.00 42.46 41.54 1x5i s ILE 43 CO 0.20 -0.03 1.30 -0.69 0.00 0.00 0.00 174.94 175.72 1x5i s VAL 44 N 2.79 3.95 -0.65 2.92 1.01 -0.04 -1.83 120.40 128.56 1x5i s VAL 44 Ca 0.18 -0.29 -0.22 0.00 0.00 0.00 0.00 61.98 61.65 1x5i s VAL 44 Cb -0.14 -4.94 0.07 0.00 0.00 0.00 0.00 36.38 31.37 1x5i s VAL 44 CO -0.21 -1.82 0.93 -0.69 0.00 0.00 0.00 175.10 173.32 1x5i s VAL 45 N 5.00 4.39 -0.19 2.92 1.01 0.82 -0.87 120.40 133.47 1x5i s VAL 45 Ca 0.38 -0.43 -0.07 0.00 0.00 0.00 0.00 61.98 61.86 1x5i s VAL 45 Cb -0.06 -4.66 -0.04 0.00 0.00 0.00 0.00 36.38 31.63 1x5i s VAL 45 CO 0.03 -1.41 0.05 -0.55 0.00 0.00 0.00 175.10 173.22 1x5i s SER 46 N 3.66 5.42 0.25 3.32 0.15 0.18 -0.03 113.70 126.65 1x5i s SER 46 Ca 0.21 -0.01 0.01 0.00 0.70 0.00 0.00 55.95 56.86 1x5i s SER 46 Cb -0.18 -1.93 -0.00 0.00 -1.71 0.00 0.00 66.02 62.20 1x5i s SER 46 CO 0.10 0.13 0.02 -2.67 1.20 0.00 0.00 173.24 172.02 1x5i n TRP 47 N 3.83 0.46 -3.98 3.44 2.14 -0.88 0.96 117.44 123.41 1x5i n TRP 47 Ca -0.17 -1.33 -0.08 0.00 2.07 0.00 0.00 57.50 57.99 1x5i n TRP 47 Cb 0.52 -0.12 -0.09 0.00 -0.81 0.00 0.00 31.31 30.80 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 -2.07 0.17 0.78 -1.67 -4.23 -1.17 -4.78 115.64 102.65 1x5i s THR 48 Ca 0.03 -1.38 -0.11 0.00 -1.18 0.00 0.00 61.69 59.06 1x5i s THR 48 Cb 0.00 -1.20 0.06 0.00 1.34 0.00 0.00 72.50 72.70 1x5i s THR 48 CO 0.02 -0.76 1.09 -2.16 -0.54 0.00 0.00 174.62 172.27 1x5i s PRO 49 N -3.32 2.23 -0.01 3.99 0.04 -1.26 -4.09 135.00 132.58 1x5i s PRO 49 Ca 0.01 1.16 -0.30 0.00 0.04 0.00 0.00 61.00 61.91 1x5i s PRO 49 Cb 0.03 -1.89 -0.06 0.00 0.04 0.00 0.00 34.50 32.62 1x5i s PRO 49 CO -0.08 -1.66 1.46 -1.25 0.04 0.00 0.00 177.00 175.51 1x5i s PRO 50 N -4.90 4.25 0.27 0.56 0.04 -1.26 -3.02 135.00 130.93 1x5i s PRO 50 Ca 0.61 2.02 0.15 0.00 0.04 0.00 0.00 61.00 63.83 1x5i s PRO 50 Cb -0.17 -3.65 0.97 0.00 0.04 0.00 0.00 34.50 31.68 1x5i s PRO 50 CO 0.56 -0.65 1.12 0.39 0.04 0.00 0.00 177.00 178.47 1x5i n GLU 51 N 5.76 -0.04 -3.11 4.56 1.02 -1.26 -3.93 120.64 123.63 1x5i n GLU 51 Ca 0.14 0.98 -0.40 0.00 -0.02 0.00 0.00 57.16 57.86 1x5i n GLU 51 Cb 0.43 -1.76 -0.05 0.00 -0.02 0.00 0.00 31.44 30.04 1x5i n GLU 51 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1x5i s ASN 52 N -4.64 6.81 -0.19 1.62 2.47 -1.26 -4.95 114.94 114.79 1x5i s ASN 52 Ca -0.06 0.98 0.06 0.00 0.42 0.00 0.00 52.86 54.26 1x5i s ASN 52 Cb 0.24 -2.37 -0.22 0.00 -1.45 0.00 0.00 41.25 37.46 1x5i s ASN 52 CO 0.56 -0.18 0.07 0.00 -3.72 0.00 0.00 177.10 173.82 1x5i n GLN 53 N 4.37 0.68 -0.42 0.43 3.00 -1.25 -4.29 117.38 119.90 1x5i n GLN 53 Ca -0.02 0.14 0.36 0.00 -0.01 0.00 0.00 57.00 57.48 1x5i n GLN 53 Cb 0.51 -1.59 0.56 0.00 0.00 0.00 0.00 30.24 29.72 1x5i n GLN 53 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 1x5i n ASN 54 N -3.13 0.00 -4.74 1.08 2.04 -1.26 -4.23 115.26 105.02 1x5i n ASN 54 Ca -0.36 0.78 -0.41 0.00 -0.44 0.00 0.00 54.58 54.15 1x5i n ASN 54 Cb 1.06 -0.34 -0.05 0.00 -2.53 0.00 0.00 39.78 37.92 1x5i n ASN 54 CO 0.00 0.00 0.00 -0.63 -0.44 0.00 0.00 177.26 176.19 1x5i s ILE 55 N -4.40 4.32 -0.41 1.53 1.01 -1.26 0.33 121.20 122.32 1x5i s ILE 55 Ca -0.03 2.07 -0.28 0.00 0.00 0.00 0.00 60.65 62.41 1x5i s ILE 55 Cb 0.18 -4.32 0.02 0.00 0.01 0.00 0.00 42.46 38.35 1x5i s ILE 55 CO 0.60 0.40 1.06 -0.69 0.00 0.00 0.00 174.94 176.32 1x5i s VAL 56 N -0.52 4.39 -0.18 2.92 1.01 -0.38 -4.83 120.40 122.81 1x5i s VAL 56 Ca 0.44 1.33 -0.07 0.00 0.00 0.00 0.00 61.98 63.68 1x5i s VAL 56 Cb -0.24 -4.49 -0.04 0.00 0.00 0.00 0.00 36.38 31.61 1x5i s VAL 56 CO 0.31 -0.76 0.06 -0.69 0.00 0.00 0.00 175.10 174.02 1x5i s VAL 57 N 3.98 4.71 -0.26 2.92 1.01 -1.26 -4.53 120.40 126.97 1x5i s VAL 57 Ca 0.44 -0.06 -0.06 0.00 0.00 0.00 0.00 61.98 62.30 1x5i s VAL 57 Cb -0.10 -3.12 -0.14 0.00 0.00 0.00 0.00 36.38 33.03 1x5i s VAL 57 CO 0.24 0.46 -0.29 0.54 0.00 0.00 0.00 175.10 176.05 1x5i n ARG 58 N 3.60 0.59 -3.72 2.72 5.12 -1.19 -4.96 116.66 118.81 1x5i n ARG 58 Ca -0.17 0.20 -0.01 0.00 -1.93 0.00 0.00 57.85 55.95 1x5i n ARG 58 Cb 0.52 -1.48 -0.00 0.00 -1.16 0.00 0.00 32.46 30.34 1x5i n ARG 58 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1x5i s GLY 59 N -5.92 -0.27 0.31 -0.13 0.00 -0.95 -3.38 107.32 96.97 1x5i s GLY 59 Ca -0.36 0.32 0.08 0.00 0.00 0.00 0.00 44.72 44.76 1x5i s GLY 59 CO 0.52 0.66 -0.09 -0.19 0.00 0.00 0.00 173.10 174.00 1x5i s TYR 60 N -2.71 2.17 0.02 1.90 1.51 -1.16 -2.04 117.35 117.05 1x5i s TYR 60 Ca 0.15 -0.58 0.08 0.00 -1.01 0.00 0.00 57.07 55.72 1x5i s TYR 60 Cb 0.01 -1.22 -0.02 0.00 -0.11 0.00 0.00 41.96 40.62 1x5i s TYR 60 CO -0.00 0.45 -0.25 0.00 -1.11 0.00 0.00 175.55 174.64 1x5i s ALA 61 N -2.79 2.14 -0.29 3.71 0.00 -0.97 -2.71 121.76 120.84 1x5i s ALA 61 Ca 0.31 -1.17 0.03 0.00 0.00 0.00 0.00 51.96 51.12 1x5i s ALA 61 Cb 0.02 -0.49 0.08 0.00 0.00 0.00 0.00 23.12 22.73 1x5i s ALA 61 CO 0.14 0.51 -0.02 0.42 0.00 0.00 0.00 175.76 176.82 1x5i s ILE 62 N -0.71 2.02 -0.21 0.00 1.01 -0.32 -2.90 121.20 120.09 1x5i s ILE 62 Ca 0.10 -1.85 -0.07 0.00 0.00 0.00 0.00 60.65 58.83 1x5i s ILE 62 Cb -0.10 -2.33 -0.03 0.00 0.01 0.00 0.00 42.46 40.01 1x5i s ILE 62 CO 0.01 -0.33 0.05 -0.83 0.00 0.00 0.00 174.94 173.84 1x5i s GLY 63 N 1.10 1.82 0.27 6.18 0.00 0.05 -0.21 107.32 116.53 1x5i s GLY 63 Ca 0.01 -0.93 0.06 0.00 0.00 0.00 0.00 44.72 43.87 1x5i s GLY 63 CO -0.08 0.26 -0.06 -2.52 0.00 0.00 0.00 173.10 170.70 1x5i s TYR 64 N 0.95 1.90 0.00 1.90 1.13 0.10 0.46 117.35 123.79 1x5i s TYR 64 Ca 0.03 -0.70 0.00 0.00 -1.41 0.00 0.00 57.07 54.99 1x5i s TYR 64 Cb -0.14 -1.07 0.00 0.00 -1.10 0.00 0.00 41.96 39.65 1x5i s TYR 64 CO 0.03 0.26 0.00 0.41 -2.51 0.00 0.00 175.55 173.74 1x5i n GLY 65 N -0.55 3.77 3.75 5.49 0.00 -1.17 -1.87 105.19 114.61 1x5i n GLY 65 Ca -0.06 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.19 2.30 0.00 -0.61 1.09 -1.26 -2.76 121.20 119.78 1x5i s ILE 66 Ca 0.00 0.26 0.00 0.00 -1.10 0.00 0.00 60.65 59.81 1x5i s ILE 66 Cb 0.00 -3.16 0.00 0.00 -1.06 0.00 0.00 42.46 38.24 1x5i s ILE 66 CO 0.00 0.05 0.00 0.61 -0.10 0.00 0.00 174.94 175.50 1x5i n GLY 67 N 1.85 1.32 3.56 6.18 0.00 -1.26 -4.82 105.19 112.01 1x5i n GLY 67 Ca 0.06 -0.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.69 0.00 1.61 0.01 -1.11 -5.02 113.70 108.50 1x5i s SER 68 Ca 0.00 1.32 0.15 0.00 1.31 0.00 0.00 55.95 58.73 1x5i s SER 68 Cb 0.00 1.33 0.91 0.00 0.21 0.00 0.00 66.02 68.47 1x5i s SER 68 CO 0.00 -0.23 1.33 -0.81 0.41 0.00 0.00 173.24 173.94 1x5i n PRO 69 N 2.85 0.49 -0.74 12.44 -0.04 -1.25 -3.78 135.00 144.96 1x5i n PRO 69 Ca -0.14 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.24 1x5i n PRO 69 Cb 0.56 -1.49 -0.04 0.00 -0.04 0.00 0.00 33.50 32.49 1x5i n PRO 69 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1x5i n HIS 70 N -0.99 0.36 0.01 0.54 8.25 -1.26 -4.09 115.22 118.04 1x5i n HIS 70 Ca 0.11 -1.34 -0.00 0.00 -0.26 0.00 0.00 57.72 56.23 1x5i n HIS 70 Cb 0.05 -0.89 -0.00 0.00 1.12 0.00 0.00 29.99 30.28 1x5i n HIS 70 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1x5i n ALA 71 N 1.49 2.83 -2.69 -1.41 0.00 -1.25 -5.10 120.51 114.38 1x5i n ALA 71 Ca 0.18 -0.02 -0.18 0.00 0.00 0.00 0.00 53.44 53.41 1x5i n ALA 71 Cb 0.61 0.06 -0.13 0.00 0.00 0.00 0.00 19.45 19.99 1x5i n ALA 71 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1x5i s GLN 72 N -1.25 0.82 0.03 0.00 -1.52 -0.78 -5.03 119.66 111.92 1x5i s GLN 72 Ca -0.00 -0.73 -0.04 0.00 -1.95 0.00 0.00 55.36 52.64 1x5i s GLN 72 Cb 0.00 -0.79 -0.01 0.00 -0.22 0.00 0.00 33.01 31.98 1x5i s GLN 72 CO 0.01 0.19 0.06 -0.08 -0.25 0.00 0.00 175.29 175.22 1x5i s THR 73 N -0.90 0.12 -0.07 -0.19 -1.32 -1.26 0.02 115.64 112.04 1x5i s THR 73 Ca -0.00 -1.03 -0.02 0.00 -1.21 0.00 0.00 61.69 59.42 1x5i s THR 73 Cb -0.08 -0.69 0.04 0.00 -1.51 0.00 0.00 72.50 70.26 1x5i s THR 73 CO 0.01 -0.57 0.05 -0.63 -2.21 0.00 0.00 174.62 171.28 1x5i s ILE 74 N -2.18 0.00 -0.28 5.08 1.01 0.71 -4.95 121.20 120.60 1x5i s ILE 74 Ca -0.09 0.24 -0.12 0.00 0.00 0.00 0.00 60.65 60.68 1x5i s ILE 74 Cb -0.04 -0.32 -0.05 0.00 0.01 0.00 0.00 42.46 42.06 1x5i s ILE 74 CO -0.03 0.10 0.22 -0.54 0.00 0.00 0.00 174.94 174.69 1x5i s LYS 75 N 2.12 3.97 0.30 2.79 1.02 -1.26 -1.17 119.74 127.51 1x5i s LYS 75 Ca 0.04 -0.26 0.06 0.00 0.02 0.00 0.00 55.97 55.84 1x5i s LYS 75 Cb -0.13 -3.65 -0.06 0.00 -0.52 0.00 0.00 37.83 33.47 1x5i s LYS 75 CO -0.05 -0.18 -0.04 0.14 -0.92 0.00 0.00 175.35 174.31 1x5i s VAL 76 N 1.77 1.63 1.12 3.17 -7.23 -1.10 -5.03 120.40 114.72 1x5i s VAL 76 Ca 0.08 -2.10 -0.14 0.00 -1.81 0.00 0.00 61.98 58.02 1x5i s VAL 76 Cb -0.16 -2.56 0.22 0.00 0.56 0.00 0.00 36.38 34.44 1x5i s VAL 76 CO 0.10 -0.22 0.76 0.47 -0.31 0.00 0.00 175.10 175.90 1x5i n ASP 77 N -0.64 -1.68 -0.06 4.85 8.00 -1.26 -2.96 116.55 122.80 1x5i n ASP 77 Ca -0.05 -0.06 -0.14 0.00 0.71 0.00 0.00 54.79 55.26 1x5i n ASP 77 Cb 0.64 -1.21 -0.07 0.00 -0.02 0.00 0.00 41.12 40.46 1x5i n ASP 77 CO 0.00 0.00 0.00 0.10 -0.39 0.00 0.00 177.20 176.91 1x5i h TYR 78 N -2.40 0.58 -0.99 1.24 -0.00 -1.91 -3.19 116.97 110.30 1x5i h TYR 78 Ca -0.57 -0.20 0.34 0.00 -0.00 0.00 0.00 58.73 58.30 1x5i h TYR 78 Cb 1.33 -0.11 -0.18 0.00 -0.00 0.00 0.00 36.73 37.77 1x5i h TYR 78 CO 0.27 0.89 0.28 0.87 -0.00 0.00 0.00 178.16 180.48 1x5i h LYS 79 N 0.11 0.03 -6.13 0.10 1.57 -1.92 -3.39 116.57 106.95 1x5i h LYS 79 Ca 0.02 -0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 58.13 1x5i h LYS 79 Cb 0.83 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.14 1x5i h LYS 79 CO 0.06 0.02 1.19 1.04 -0.57 0.00 0.00 179.45 181.19 1x5i n GLN 80 N -5.36 1.56 0.11 3.15 1.13 -1.21 -4.85 117.38 111.91 1x5i n GLN 80 Ca 0.30 0.52 -0.23 0.00 -1.94 0.00 0.00 57.00 55.66 1x5i n GLN 80 Cb 0.99 -2.49 -0.15 0.00 0.11 0.00 0.00 30.24 28.70 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 10.17 0.44 -4.25 -1.09 1.12 -1.91 -3.49 114.38 115.38 1x5i h ARG 81 Ca -0.40 -0.75 -0.17 0.00 -1.11 0.00 0.00 59.98 57.54 1x5i h ARG 81 Cb 1.30 0.28 -0.14 0.00 -0.01 0.00 0.00 29.97 31.40 1x5i h ARG 81 CO 0.98 1.35 -0.48 1.52 -3.11 0.00 0.00 179.97 180.22 1x5i s TYR 82 N -2.60 0.80 -0.03 2.20 1.13 -1.26 -2.07 117.35 115.51 1x5i s TYR 82 Ca -0.11 -1.11 -0.00 0.00 -1.41 0.00 0.00 57.07 54.43 1x5i s TYR 82 Cb 0.05 -0.31 0.03 0.00 -1.10 0.00 0.00 41.96 40.62 1x5i s TYR 82 CO 0.90 -0.68 0.02 -0.47 -2.51 0.00 0.00 175.55 172.81 1x5i s TYR 83 N -4.07 0.21 -0.45 -3.49 6.14 0.96 -4.97 117.35 111.69 1x5i s TYR 83 Ca 0.28 0.08 -0.14 0.00 0.64 0.00 0.00 57.07 57.93 1x5i s TYR 83 Cb 0.05 -0.42 0.07 0.00 0.42 0.00 0.00 41.96 42.08 1x5i s TYR 83 CO 0.06 -0.16 0.35 0.99 0.64 0.00 0.00 175.55 177.44 1x5i s THR 84 N 1.42 4.99 0.10 4.34 2.01 -1.26 -0.13 115.64 127.11 1x5i s THR 84 Ca -0.04 -1.11 -0.29 0.00 0.31 0.00 0.00 61.69 60.55 1x5i s THR 84 Cb -0.13 -3.98 -0.06 0.00 0.01 0.00 0.00 72.50 68.34 1x5i s THR 84 CO -0.03 -0.54 0.92 -0.63 -0.69 0.00 0.00 174.62 173.65 1x5i s ILE 85 N 1.59 4.53 0.26 1.82 1.01 -0.76 -4.87 121.20 124.78 1x5i s ILE 85 Ca 0.04 1.98 0.01 0.00 0.00 0.00 0.00 60.65 62.67 1x5i s ILE 85 Cb -0.24 -4.28 0.01 0.00 0.01 0.00 0.00 42.46 37.96 1x5i s ILE 85 CO 0.06 0.33 0.05 -0.62 0.00 0.00 0.00 174.94 174.76 1x5i n GLU 86 N 2.74 1.31 -3.96 2.79 1.02 -1.26 -1.80 120.64 121.48 1x5i n GLU 86 Ca 0.01 -1.81 -0.26 0.00 -0.02 0.00 0.00 57.16 55.08 1x5i n GLU 86 Cb 0.49 0.41 -0.02 0.00 -0.02 0.00 0.00 31.44 32.31 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 -1.35 -0.66 -4.92 1.62 0.23 -1.24 -4.96 115.26 103.99 1x5i n ASN 87 Ca -0.08 -0.99 -0.26 0.00 -0.53 0.00 0.00 54.58 52.71 1x5i n ASN 87 Cb 0.32 -3.09 0.00 0.00 -2.08 0.00 0.00 39.78 34.92 1x5i n ASN 87 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1x5i s LEU 88 N -6.98 2.65 -0.20 -4.53 1.43 -1.21 -5.09 118.68 104.74 1x5i s LEU 88 Ca 0.07 -1.27 -0.04 0.00 -1.03 0.00 0.00 54.13 51.86 1x5i s LEU 88 Cb -0.04 -1.14 -0.01 0.00 0.03 0.00 0.00 46.19 45.03 1x5i s LEU 88 CO 0.89 -1.16 -0.04 -1.81 0.23 0.00 0.00 176.35 174.45 1x5i s ASP 89 N -4.32 4.43 1.24 2.29 1.01 -1.26 -4.84 116.67 115.23 1x5i s ASP 89 Ca 0.34 -0.32 -0.20 0.00 0.71 0.00 0.00 52.55 53.07 1x5i s ASP 89 Cb -0.02 -1.75 0.30 0.00 1.01 0.00 0.00 42.92 42.45 1x5i s ASP 89 CO 0.21 0.03 1.06 -0.81 0.21 0.00 0.00 175.17 175.87 1x5i n PRO 90 N 4.47 -3.10 -4.42 8.23 -0.04 -1.24 -3.97 135.00 134.92 1x5i n PRO 90 Ca -0.18 -1.70 -0.40 0.00 -0.04 0.00 0.00 63.50 61.18 1x5i n PRO 90 Cb 0.51 -1.59 -0.06 0.00 -0.04 0.00 0.00 33.50 32.32 1x5i n PRO 90 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1x5i n SER 91 N -4.83 -2.23 -3.77 3.54 3.41 0.26 -4.91 113.62 105.10 1x5i n SER 91 Ca 0.15 -1.16 -0.13 0.00 -0.26 0.00 0.00 58.87 57.46 1x5i n SER 91 Cb 0.57 -2.02 -0.13 0.00 -0.26 0.00 0.00 64.21 62.36 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 -3.32 -0.16 -0.16 4.04 0.01 -1.24 -4.96 113.70 107.92 1x5i s SER 92 Ca 0.76 0.34 -0.29 0.00 1.31 0.00 0.00 55.95 58.08 1x5i s SER 92 Cb -0.44 0.27 -0.00 0.00 0.21 0.00 0.00 66.02 66.06 1x5i s SER 92 CO 0.99 -0.12 1.02 -2.28 0.41 0.00 0.00 173.24 173.26 1x5i s HIS 93 N 0.81 3.44 -0.13 2.43 5.65 -1.26 -2.62 115.29 123.61 1x5i s HIS 93 Ca -0.06 1.54 -0.00 0.00 0.25 0.00 0.00 55.06 56.79 1x5i s HIS 93 Cb -0.08 -3.22 -0.01 0.00 -1.18 0.00 0.00 32.58 28.09 1x5i s HIS 93 CO -0.04 -0.33 -0.13 0.71 -0.65 0.00 0.00 174.74 174.29 1x5i s TYR 94 N 2.49 2.80 -0.45 3.88 1.51 -0.13 -4.13 117.35 123.32 1x5i s TYR 94 Ca 0.46 -0.69 -0.16 0.00 -1.01 0.00 0.00 57.07 55.67 1x5i s TYR 94 Cb -0.17 -1.85 0.04 0.00 -0.11 0.00 0.00 41.96 39.88 1x5i s TYR 94 CO 0.13 -0.24 0.42 0.08 -1.11 0.00 0.00 175.55 174.83 1x5i s VAL 95 N 0.39 5.14 0.01 0.71 1.01 -1.16 -2.48 120.40 124.02 1x5i s VAL 95 Ca -0.11 -0.68 -0.13 0.00 0.00 0.00 0.00 61.98 61.06 1x5i s VAL 95 Cb -0.16 -4.09 -0.06 0.00 0.00 0.00 0.00 36.38 32.08 1x5i s VAL 95 CO 0.05 -0.51 0.39 -0.63 0.00 0.00 0.00 175.10 174.40 1x5i s ILE 96 N 1.95 5.07 -0.05 2.22 1.09 -1.25 -3.04 121.20 127.19 1x5i s ILE 96 Ca 0.08 0.74 0.01 0.00 -1.10 0.00 0.00 60.65 60.38 1x5i s ILE 96 Cb -0.20 -3.68 0.02 0.00 -1.06 0.00 0.00 42.46 37.54 1x5i s ILE 96 CO 0.10 0.53 -0.04 0.42 -0.10 0.00 0.00 174.94 175.86 1x5i s THR 97 N -1.13 0.51 -0.02 2.92 -4.23 0.17 -2.26 115.64 111.61 1x5i s THR 97 Ca 0.25 -0.08 0.07 0.00 -1.18 0.00 0.00 61.69 60.75 1x5i s THR 97 Cb -0.16 -0.56 -0.02 0.00 1.34 0.00 0.00 72.50 73.09 1x5i s THR 97 CO 0.14 0.23 -0.22 -0.22 -0.54 0.00 0.00 174.62 174.01 1x5i s LEU 98 N 1.13 2.30 -0.09 4.79 2.96 -1.26 -0.77 118.68 127.74 1x5i s LEU 98 Ca -0.08 -0.40 -0.07 0.00 -0.22 0.00 0.00 54.13 53.36 1x5i s LEU 98 Cb -0.14 -1.41 0.03 0.00 0.50 0.00 0.00 46.19 45.17 1x5i s LEU 98 CO -0.01 0.31 0.23 -1.59 -1.32 0.00 0.00 176.35 173.98 1x5i s LYS 99 N -0.79 0.25 -0.07 1.98 -2.85 -1.14 -0.86 119.74 116.26 1x5i s LYS 99 Ca 0.11 0.38 -0.23 0.00 -1.00 0.00 0.00 55.97 55.23 1x5i s LYS 99 Cb -0.10 0.06 -0.04 0.00 -2.06 0.00 0.00 37.83 35.69 1x5i s LYS 99 CO 0.00 -0.07 0.67 0.00 0.10 0.00 0.00 175.35 176.05 1x5i s ALA 100 N 0.45 3.36 0.00 0.59 0.00 -1.26 -2.29 121.76 122.60 1x5i s ALA 100 Ca -0.03 0.09 0.01 0.00 0.00 0.00 0.00 51.96 52.03 1x5i s ALA 100 Cb -0.04 -2.91 -0.01 0.00 0.00 0.00 0.00 23.12 20.17 1x5i s ALA 100 CO -0.02 -0.08 -0.02 -0.59 0.00 0.00 0.00 175.76 175.05 1x5i s PHE 101 N 0.74 0.19 0.24 0.00 -0.71 -0.86 -2.02 117.98 115.56 1x5i s PHE 101 Ca 0.36 -0.12 0.01 0.00 -1.04 0.00 0.00 56.93 56.14 1x5i s PHE 101 Cb -0.17 -0.12 -0.00 0.00 -1.21 0.00 0.00 43.02 41.51 1x5i s PHE 101 CO 0.17 -0.03 0.05 0.27 -1.34 0.00 0.00 175.22 174.34 1x5i n ASN 102 N 2.76 1.73 -0.36 1.98 6.94 -0.00 -2.25 115.26 126.05 1x5i n ASN 102 Ca -0.14 -2.17 0.37 0.00 -0.02 0.00 0.00 54.58 52.62 1x5i n ASN 102 Cb 0.59 0.41 0.70 0.00 -2.36 0.00 0.00 39.78 39.12 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 0.78 0.00 0.00 0.53 -0.73 -1.94 0.28 115.58 114.51 1x5i h ASN 103 Ca -0.19 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 57.98 1x5i h ASN 103 Cb 0.66 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.25 1x5i h ASN 103 CO 0.31 0.00 -0.00 0.58 -0.37 0.00 0.00 177.43 177.95 1x5i h VAL 104 N 0.00 1.71 0.00 2.57 2.07 -1.88 -3.51 116.25 117.21 1x5i h VAL 104 Ca 0.61 -2.10 0.00 0.00 0.82 0.00 0.00 66.70 66.04 1x5i h VAL 104 Cb 2.73 3.14 0.00 0.00 -1.52 0.00 0.00 31.29 35.63 1x5i h VAL 104 CO -0.01 0.54 0.00 0.61 0.02 0.00 0.00 177.57 178.74 1x5i n GLY 105 N 1.32 -1.86 3.96 2.17 0.00 1.00 -4.98 105.19 106.80 1x5i n GLY 105 Ca -0.10 -1.25 -0.22 0.00 0.00 0.00 0.00 46.02 44.45 1x5i n GLY 105 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1x5i s GLU 106 N -1.96 3.31 0.00 1.61 4.04 -1.26 -0.82 118.70 123.61 1x5i s GLU 106 Ca 0.00 -0.58 0.00 0.00 0.04 0.00 0.00 54.97 54.43 1x5i s GLU 106 Cb 0.00 -2.72 0.00 0.00 0.02 0.00 0.00 34.13 31.43 1x5i s GLU 106 CO 0.00 0.09 0.00 0.41 -1.84 0.00 0.00 175.26 173.92 1x5i n GLY 107 N -1.75 1.07 3.42 -3.83 0.00 -0.86 -4.90 105.19 98.35 1x5i n GLY 107 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 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 3.39 4.05 1.03 -0.61 -0.00 -1.26 -4.97 121.20 122.83 1x5i s ILE 108 Ca 0.00 -0.27 -0.13 0.00 -0.00 0.00 0.00 60.65 60.25 1x5i s ILE 108 Cb 0.00 -2.87 0.21 0.00 -0.00 0.00 0.00 42.46 39.80 1x5i s ILE 108 CO 0.00 0.38 1.09 -2.16 -0.00 0.00 0.00 174.94 174.26 1x5i s PRO 109 N 1.40 0.14 0.44 0.37 0.04 -1.26 -4.14 135.00 131.99 1x5i s PRO 109 Ca 0.05 0.42 0.07 0.00 0.04 0.00 0.00 61.00 61.58 1x5i s PRO 109 Cb -0.15 -1.71 -0.03 0.00 0.04 0.00 0.00 34.50 32.65 1x5i s PRO 109 CO 0.02 -2.90 0.24 -0.51 0.04 0.00 0.00 177.00 173.89 1x5i s LEU 110 N -6.55 3.07 -0.13 -3.56 1.43 -0.04 -4.92 118.68 107.98 1x5i s LEU 110 Ca 0.66 -1.07 -0.00 0.00 -1.03 0.00 0.00 54.13 52.69 1x5i s LEU 110 Cb -0.18 -1.49 0.03 0.00 0.03 0.00 0.00 46.19 44.58 1x5i s LEU 110 CO 0.58 -0.66 -0.09 -0.31 0.23 0.00 0.00 176.35 176.09 1x5i s TYR 111 N -2.61 1.73 0.43 0.29 1.51 -1.26 -4.01 117.35 113.42 1x5i s TYR 111 Ca 0.40 -0.95 0.03 0.00 -1.01 0.00 0.00 57.07 55.53 1x5i s TYR 111 Cb 0.02 -1.35 -0.01 0.00 -0.11 0.00 0.00 41.96 40.50 1x5i s TYR 111 CO 0.22 -0.58 0.10 0.39 -1.11 0.00 0.00 175.55 174.57 1x5i n GLU 112 N 4.88 0.66 -3.93 -0.62 -0.58 -0.96 -5.05 120.64 115.04 1x5i n GLU 112 Ca -0.14 -3.41 -0.10 0.00 -0.42 0.00 0.00 57.16 53.09 1x5i n GLU 112 Cb 0.49 1.54 -0.10 0.00 -0.57 0.00 0.00 31.44 32.80 1x5i n GLU 112 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1x5i s SER 113 N -3.51 0.15 -0.30 1.62 1.04 -1.26 -3.96 113.70 107.48 1x5i s SER 113 Ca 0.14 -0.38 -0.03 0.00 0.48 0.00 0.00 55.95 56.16 1x5i s SER 113 Cb 0.01 0.14 0.18 0.00 0.10 0.00 0.00 66.02 66.45 1x5i s SER 113 CO 0.10 -0.33 0.65 0.00 0.98 0.00 0.00 173.24 174.64 1x5i s ALA 114 N -1.43 -2.36 -0.44 5.32 0.00 -1.03 -4.79 121.76 117.02 1x5i s ALA 114 Ca -0.15 1.86 -0.15 0.00 0.00 0.00 0.00 51.96 53.51 1x5i s ALA 114 Cb -0.09 -2.17 0.05 0.00 0.00 0.00 0.00 23.12 20.91 1x5i s ALA 114 CO 0.00 -1.30 0.34 0.08 0.00 0.00 0.00 175.76 174.88 1x5i s VAL 115 N 2.87 5.18 0.15 0.00 1.01 -1.26 -0.96 120.40 127.38 1x5i s VAL 115 Ca 0.16 -0.89 -0.31 0.00 0.00 0.00 0.00 61.98 60.94 1x5i s VAL 115 Cb -0.14 -3.99 -0.10 0.00 0.00 0.00 0.00 36.38 32.15 1x5i s VAL 115 CO -0.20 -0.44 1.61 0.42 0.00 0.00 0.00 175.10 176.49 1x5i s THR 116 N 1.65 2.67 0.76 3.92 -4.23 -1.08 -4.78 115.64 114.55 1x5i s THR 116 Ca 0.04 0.41 -0.14 0.00 -1.18 0.00 0.00 61.69 60.82 1x5i s THR 116 Cb -0.22 -3.27 0.06 0.00 1.34 0.00 0.00 72.50 70.42 1x5i s THR 116 CO 0.08 0.02 1.21 -0.13 -0.54 0.00 0.00 174.62 175.26 1x5i s ARG 117 N 1.53 1.92 -0.13 3.99 0.52 -1.26 -0.58 118.95 124.94 1x5i s ARG 117 Ca 0.72 1.76 -0.29 0.00 -0.52 0.00 0.00 55.73 57.39 1x5i s ARG 117 Cb -0.43 -1.81 -0.04 0.00 0.52 0.00 0.00 34.95 33.19 1x5i s ARG 117 CO 0.32 -2.00 1.55 -1.25 0.02 0.00 0.00 175.30 173.93 1x5i s PRO 118 N -4.02 4.07 -0.88 3.54 0.04 -1.26 -2.72 135.00 133.78 1x5i s PRO 118 Ca 0.74 1.90 -0.25 0.00 0.04 0.00 0.00 61.00 63.42 1x5i s PRO 118 Cb -0.29 -3.95 -0.11 0.00 0.04 0.00 0.00 34.50 30.19 1x5i s PRO 118 CO 0.48 -0.96 2.19 -1.58 0.04 0.00 0.00 177.00 177.17 1x5i s HIS 119 N 4.28 1.43 -0.45 0.56 2.46 -1.26 -4.88 115.29 117.43 1x5i s HIS 119 Ca 0.68 1.44 -0.06 0.00 0.47 0.00 0.00 55.06 57.60 1x5i s HIS 119 Cb -0.28 -3.68 0.12 0.00 -0.13 0.00 0.00 32.58 28.61 1x5i s HIS 119 CO 0.26 -1.53 0.28 0.95 -2.47 0.00 0.00 174.74 172.23 1x5i s THR 120 N 13.08 3.72 -1.55 0.89 -4.23 -1.26 -4.67 115.64 121.63 1x5i s THR 120 Ca 0.82 -1.99 -0.12 0.00 -1.18 0.00 0.00 61.69 59.21 1x5i s THR 120 Cb -0.09 -3.50 0.09 0.00 1.34 0.00 0.00 72.50 70.34 1x5i s THR 120 CO 0.06 -0.74 0.85 -1.20 -0.54 0.00 0.00 174.62 173.04 1x5i n SER 121 N 4.66 -3.58 0.00 3.99 7.64 -1.26 -4.68 113.62 120.39 1x5i n SER 121 Ca -0.04 -0.87 0.00 0.00 1.01 0.00 0.00 58.87 58.97 1x5i n SER 121 Cb 0.41 -3.50 0.00 0.00 -1.01 0.00 0.00 64.21 60.11 1x5i n SER 121 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5i n GLY 122 N -1.63 0.72 0.00 0.23 0.00 -1.26 -1.42 105.19 101.84 1x5i n GLY 122 Ca -0.02 -0.73 0.06 0.00 0.00 0.00 0.00 46.02 45.33 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 0.49 -3.12 1.61 -0.04 -1.26 -4.66 135.00 128.01 1x5i n PRO 123 Ca 0.00 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.05 1x5i n PRO 123 Cb 0.00 -1.37 -0.07 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 s SER 124 N -1.88 6.48 0.04 3.54 0.15 -0.50 -5.06 113.70 116.48 1x5i s SER 124 Ca 0.17 0.40 0.05 0.00 0.70 0.00 0.00 55.95 57.28 1x5i s SER 124 Cb 0.08 -2.33 -0.04 0.00 -1.71 0.00 0.00 66.02 62.03 1x5i s SER 124 CO 0.13 -0.48 -0.08 -0.55 1.20 0.00 0.00 173.24 173.47 1x5i s SER 125 N 1.65 4.50 0.00 5.45 0.15 -1.26 -4.69 113.70 119.50 1x5i s SER 125 Ca 0.25 -0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.65 1x5i s SER 125 Cb -0.15 -0.97 0.00 0.00 -1.71 0.00 0.00 66.02 63.19 1x5i s SER 125 CO 0.12 0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.41