#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 3.76 -0.02 1.61 1.04 -1.26 -5.09 113.70 113.74 1x5i s SER 2 Ca 0.00 1.06 -0.29 0.00 0.48 0.00 0.00 55.95 57.20 1x5i s SER 2 Cb 0.00 -1.68 0.09 0.00 0.10 0.00 0.00 66.02 64.54 1x5i s SER 2 CO 0.00 -2.40 0.80 -0.55 0.98 0.00 0.00 173.24 172.07 1x5i s SER 3 N -3.99 -0.48 -0.78 7.02 0.15 -1.26 -5.10 113.70 109.27 1x5i s SER 3 Ca 0.63 0.29 0.03 0.00 0.70 0.00 0.00 55.95 57.60 1x5i s SER 3 Cb -0.15 0.45 0.25 0.00 -1.71 0.00 0.00 66.02 64.86 1x5i s SER 3 CO 0.54 -0.61 0.88 0.61 1.20 0.00 0.00 173.24 175.85 1x5i n GLY 4 N 0.28 4.71 3.37 9.45 0.00 -1.26 -4.99 105.19 116.76 1x5i n GLY 4 Ca -0.13 -2.71 -0.46 0.00 0.00 0.00 0.00 46.02 42.72 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 -1.89 6.93 -0.14 1.61 0.01 -1.26 -4.96 113.70 114.00 1x5i s SER 5 Ca 0.35 -2.87 -0.30 0.00 1.31 0.00 0.00 55.95 54.44 1x5i s SER 5 Cb 0.08 -2.27 0.12 0.00 0.21 0.00 0.00 66.02 64.16 1x5i s SER 5 CO -0.02 -0.60 0.99 -0.94 0.41 0.00 0.00 173.24 173.08 1x5i s SER 6 N 2.27 -0.35 -0.43 2.44 1.04 -1.26 -5.13 113.70 112.28 1x5i s SER 6 Ca 0.27 0.31 0.05 0.00 0.48 0.00 0.00 55.95 57.06 1x5i s SER 6 Cb -0.08 0.30 0.17 0.00 0.10 0.00 0.00 66.02 66.51 1x5i s SER 6 CO -0.08 -0.38 0.47 -0.83 0.98 0.00 0.00 173.24 173.41 1x5i s GLY 7 N -1.38 -0.01 0.40 7.32 0.00 -1.26 -5.14 107.32 107.25 1x5i s GLY 7 Ca 0.00 -1.27 -0.25 0.00 0.00 0.00 0.00 44.72 43.19 1x5i s GLY 7 CO -0.01 2.83 1.19 2.56 0.00 0.00 0.00 173.10 179.67 1x5i s PRO 8 N 0.82 4.03 -0.29 2.90 0.04 -1.26 -5.04 135.00 136.21 1x5i s PRO 8 Ca 0.26 1.88 -0.22 0.00 0.04 0.00 0.00 61.00 62.96 1x5i s PRO 8 Cb -0.04 -2.68 0.16 0.00 0.04 0.00 0.00 34.50 31.98 1x5i s PRO 8 CO -0.09 -0.35 1.17 0.00 0.04 0.00 0.00 177.00 177.76 1x5i s ALA 9 N -1.40 -2.19 0.46 8.56 0.00 -1.26 -5.19 121.76 120.75 1x5i s ALA 9 Ca 0.57 1.90 0.04 0.00 0.00 0.00 0.00 51.96 54.47 1x5i s ALA 9 Cb -0.32 -1.66 -0.04 0.00 0.00 0.00 0.00 23.12 21.10 1x5i s ALA 9 CO 0.40 -0.23 0.01 0.95 0.00 0.00 0.00 175.76 176.89 1x5i s THR 10 N 0.49 1.52 -0.59 0.00 -4.23 -1.26 -5.04 115.64 106.54 1x5i s THR 10 Ca 0.01 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.23 1x5i s THR 10 Cb -0.04 -2.55 -0.11 0.00 1.34 0.00 0.00 72.50 71.13 1x5i s THR 10 CO -0.11 0.00 2.45 0.47 -0.54 0.00 0.00 174.62 176.89 1x5i n ASP 11 N -1.12 1.82 -4.54 3.99 8.00 -1.26 -4.79 116.55 118.65 1x5i n ASP 11 Ca -0.12 -0.17 -0.35 0.00 0.71 0.00 0.00 54.79 54.86 1x5i n ASP 11 Cb 0.67 -1.37 -0.06 0.00 -0.02 0.00 0.00 41.12 40.34 1x5i n ASP 11 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 1x5i n TRP 12 N 13.46 1.21 -1.81 1.24 7.02 -1.26 -4.92 117.44 132.39 1x5i n TRP 12 Ca 0.45 0.16 -0.31 0.00 -1.02 0.00 0.00 57.50 56.78 1x5i n TRP 12 Cb 0.36 -2.55 0.03 0.00 -2.42 0.00 0.00 31.31 26.74 1x5i n TRP 12 CO 0.00 0.00 0.00 -0.48 -2.02 0.00 0.00 177.69 175.19 1x5i s LEU 13 N 11.57 3.07 0.32 -0.99 2.34 -1.26 -5.00 118.68 128.73 1x5i s LEU 13 Ca 1.06 1.36 -0.29 0.00 0.06 0.00 0.00 54.13 56.32 1x5i s LEU 13 Cb -0.40 -4.28 -0.11 0.00 -0.56 0.00 0.00 46.19 40.84 1x5i s LEU 13 CO 0.30 -1.17 1.45 -0.55 -1.06 0.00 0.00 176.35 175.32 1x5i s SER 14 N -4.15 6.53 -0.13 1.48 0.15 -1.26 -4.96 113.70 111.36 1x5i s SER 14 Ca 0.57 2.85 -0.13 0.00 0.70 0.00 0.00 55.95 59.93 1x5i s SER 14 Cb -0.12 -2.65 -0.11 0.00 -1.71 0.00 0.00 66.02 61.44 1x5i s SER 14 CO 0.54 -0.76 0.25 0.00 1.20 0.00 0.00 173.24 174.47 1x5i h ALA 15 N 3.98 0.03 -3.00 5.45 0.00 -2.04 -3.50 119.26 120.19 1x5i h ALA 15 Ca -0.48 -0.37 0.04 0.00 0.00 0.00 0.00 54.91 54.09 1x5i h ALA 15 Cb 1.23 0.15 -0.08 0.00 0.00 0.00 0.00 17.79 19.10 1x5i h ALA 15 CO 0.71 0.15 0.22 -1.21 0.00 0.00 0.00 179.25 179.12 1x5i s GLU 16 N -1.96 1.60 -0.01 0.00 0.41 -1.26 -5.14 118.70 112.34 1x5i s GLU 16 Ca -0.11 -0.80 -0.30 0.00 -0.41 0.00 0.00 54.97 53.34 1x5i s GLU 16 Cb -0.00 0.60 -0.04 0.00 -1.78 0.00 0.00 34.13 32.92 1x5i s GLU 16 CO 0.32 -0.72 1.11 -0.08 -0.49 0.00 0.00 175.26 175.40 1x5i s THR 17 N -3.86 4.43 -0.03 3.63 -1.32 -1.26 -5.03 115.64 112.20 1x5i s THR 17 Ca 0.07 1.74 -0.01 0.00 -1.21 0.00 0.00 61.69 62.28 1x5i s THR 17 Cb -0.04 -4.11 0.02 0.00 -1.51 0.00 0.00 72.50 66.86 1x5i s THR 17 CO -0.00 0.08 0.06 -0.36 -2.21 0.00 0.00 174.62 172.19 1x5i s PHE 18 N 1.51 -0.04 0.89 9.09 0.40 -1.26 -5.16 117.98 123.41 1x5i s PHE 18 Ca 0.55 0.21 -0.12 0.00 -0.60 0.00 0.00 56.93 56.97 1x5i s PHE 18 Cb -0.24 -0.13 0.12 0.00 0.51 0.00 0.00 43.02 43.28 1x5i s PHE 18 CO 0.25 -0.09 1.10 -1.21 0.70 0.00 0.00 175.22 175.97 1x5i s GLU 19 N 0.81 1.35 -0.63 0.44 8.01 -1.26 -4.94 118.70 122.48 1x5i s GLU 19 Ca -0.07 0.68 -0.02 0.00 0.01 0.00 0.00 54.97 55.57 1x5i s GLU 19 Cb -0.09 -1.83 0.29 0.00 -4.31 0.00 0.00 34.13 28.19 1x5i s GLU 19 CO -0.03 -2.14 2.19 0.43 0.01 0.00 0.00 175.26 175.72 1x5i n SER 20 N -3.79 7.19 -3.91 -0.19 7.64 -1.26 -4.78 113.62 114.52 1x5i n SER 20 Ca 0.07 -3.57 -0.29 0.00 1.01 0.00 0.00 58.87 56.09 1x5i n SER 20 Cb 0.56 -1.08 -0.13 0.00 -1.01 0.00 0.00 64.21 62.56 1x5i n SER 20 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1x5i s ASP 21 N -0.79 4.58 0.40 6.43 1.01 -1.26 -5.07 116.67 121.97 1x5i s ASP 21 Ca 0.54 -3.50 0.04 0.00 0.71 0.00 0.00 52.55 50.33 1x5i s ASP 21 Cb 0.42 -1.62 -0.03 0.00 1.01 0.00 0.00 42.92 42.69 1x5i s ASP 21 CO -0.19 -0.14 0.10 -0.76 0.21 0.00 0.00 175.17 174.39 1x5i s LEU 22 N -0.97 2.05 -0.47 1.23 1.02 -1.26 -5.07 118.68 115.21 1x5i s LEU 22 Ca 0.22 -1.62 -0.22 0.00 0.02 0.00 0.00 54.13 52.54 1x5i s LEU 22 Cb -0.13 -0.21 0.03 0.00 0.02 0.00 0.00 46.19 45.90 1x5i s LEU 22 CO -0.10 -0.86 0.72 -0.62 0.02 0.00 0.00 176.35 175.51 1x5i s ASP 23 N -3.61 6.33 -0.21 2.29 2.15 -0.02 -4.88 116.67 118.72 1x5i s ASP 23 Ca 0.25 -0.39 0.11 0.00 0.43 0.00 0.00 52.55 52.95 1x5i s ASP 23 Cb 0.04 -2.35 0.42 0.00 -0.30 0.00 0.00 42.92 40.73 1x5i s ASP 23 CO 0.14 -0.90 1.22 1.21 -0.17 0.00 0.00 175.17 176.66 1x5i n GLU 24 N 6.54 1.59 -0.01 4.34 2.13 -1.26 -1.07 120.64 132.91 1x5i n GLU 24 Ca -0.01 -3.31 0.08 0.00 0.66 0.00 0.00 57.16 54.58 1x5i n GLU 24 Cb 0.47 -1.62 -0.12 0.00 0.27 0.00 0.00 31.44 30.45 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 -1.11 0.00 -4.48 6.31 5.66 -1.26 -4.63 114.28 114.76 1x5i n THR 25 Ca 0.19 -0.33 -0.23 0.00 -3.05 0.00 0.00 64.05 60.64 1x5i n THR 25 Cb 0.69 0.29 -0.11 0.00 -1.55 0.00 0.00 70.33 69.65 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 -3.01 1.72 0.14 1.09 1.70 -1.26 -4.96 118.95 114.37 1x5i s ARG 26 Ca -0.04 -1.96 -0.09 0.00 -0.47 0.00 0.00 55.73 53.17 1x5i s ARG 26 Cb 0.11 -0.98 -0.06 0.00 -0.57 0.00 0.00 34.95 33.44 1x5i s ARG 26 CO 0.67 -0.18 0.45 0.14 -1.08 0.00 0.00 175.30 175.30 1x5i s VAL 27 N -3.20 5.04 -0.56 4.99 -7.23 -1.26 -4.62 120.40 113.56 1x5i s VAL 27 Ca 0.35 0.39 -0.27 0.00 -1.81 0.00 0.00 61.98 60.65 1x5i s VAL 27 Cb 0.09 -3.64 -0.02 0.00 0.56 0.00 0.00 36.38 33.36 1x5i s VAL 27 CO 0.16 0.13 1.83 -2.16 -0.31 0.00 0.00 175.10 174.75 1x5i s PRO 28 N -2.34 2.78 1.13 4.82 0.04 -1.26 -4.91 135.00 135.25 1x5i s PRO 28 Ca 0.39 0.76 -0.18 0.00 0.04 0.00 0.00 61.00 62.01 1x5i s PRO 28 Cb -0.13 -4.34 0.13 0.00 0.04 0.00 0.00 34.50 30.20 1x5i s PRO 28 CO 0.21 -2.55 0.14 0.39 0.04 0.00 0.00 177.00 175.23 1x5i n GLU 29 N 9.02 -1.73 -1.30 4.56 -0.58 -1.26 -4.07 120.64 125.28 1x5i n GLU 29 Ca 0.21 -0.49 -0.48 0.00 -0.42 0.00 0.00 57.16 55.98 1x5i n GLU 29 Cb 0.51 -1.76 -0.05 0.00 -0.57 0.00 0.00 31.44 29.57 1x5i n GLU 29 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 1x5i n VAL 30 N -4.51 0.83 -1.05 2.62 3.14 -1.26 -4.69 118.33 113.41 1x5i n VAL 30 Ca 0.01 -0.21 -0.30 0.00 -2.96 0.00 0.00 64.34 60.88 1x5i n VAL 30 Cb 0.61 0.00 0.26 0.00 -1.06 0.00 0.00 33.84 33.65 1x5i n VAL 30 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 1x5i n PRO 31 N 1.13 -3.20 0.07 1.45 -0.04 -1.26 -4.81 135.00 128.34 1x5i n PRO 31 Ca 0.17 -1.78 -0.14 0.00 -0.04 0.00 0.00 63.50 61.71 1x5i n PRO 31 Cb 0.14 -1.67 -0.08 0.00 -0.04 0.00 0.00 33.50 31.86 1x5i n PRO 31 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1x5i h SER 32 N -2.76 -1.40 -1.69 3.54 4.64 -1.70 -3.46 113.55 110.71 1x5i h SER 32 Ca -0.42 0.16 0.05 0.00 -0.47 0.00 0.00 61.79 61.12 1x5i h SER 32 Cb 1.28 0.54 -0.01 0.00 -0.31 0.00 0.00 62.40 63.90 1x5i h SER 32 CO 0.27 -0.49 0.25 -1.54 -0.87 0.00 0.00 176.83 174.46 1x5i n SER 33 N -5.46 -0.96 -3.65 4.97 3.41 -1.26 -5.04 113.62 105.63 1x5i n SER 33 Ca -0.06 -1.56 -0.07 0.00 -0.26 0.00 0.00 58.87 56.92 1x5i n SER 33 Cb 0.38 1.58 -0.08 0.00 -0.26 0.00 0.00 64.21 65.83 1x5i n SER 33 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1x5i s LEU 34 N 0.00 -0.74 0.08 1.04 2.96 -1.26 -3.23 118.68 117.52 1x5i s LEU 34 Ca 0.11 1.09 0.03 0.00 -0.22 0.00 0.00 54.13 55.13 1x5i s LEU 34 Cb -0.02 1.52 -0.04 0.00 0.50 0.00 0.00 46.19 48.15 1x5i s LEU 34 CO 0.04 -0.23 0.07 -2.28 -1.32 0.00 0.00 176.35 172.63 1x5i s HIS 35 N 2.67 3.17 -0.01 5.38 5.65 0.25 -4.95 115.29 127.45 1x5i s HIS 35 Ca -0.02 0.07 0.01 0.00 0.25 0.00 0.00 55.06 55.37 1x5i s HIS 35 Cb -0.12 -1.62 0.00 0.00 -1.18 0.00 0.00 32.58 29.67 1x5i s HIS 35 CO -0.14 0.52 -0.02 0.14 -0.65 0.00 0.00 174.74 174.59 1x5i s VAL 36 N -1.37 0.21 -0.25 0.89 -7.23 -1.26 -0.74 120.40 110.65 1x5i s VAL 36 Ca 0.29 -0.08 0.01 0.00 -1.81 0.00 0.00 61.98 60.39 1x5i s VAL 36 Cb -0.12 -0.20 0.06 0.00 0.56 0.00 0.00 36.38 36.68 1x5i s VAL 36 CO 0.21 0.07 -0.06 -0.60 -0.31 0.00 0.00 175.10 174.42 1x5i s ARG 37 N 0.11 1.71 0.07 4.82 3.52 -0.75 -4.93 118.95 123.49 1x5i s ARG 37 Ca -0.01 -1.10 -0.31 0.00 -0.13 0.00 0.00 55.73 54.18 1x5i s ARG 37 Cb -0.03 -2.66 -0.07 0.00 -1.56 0.00 0.00 34.95 30.63 1x5i s ARG 37 CO -0.00 -0.62 1.40 -1.25 -0.81 0.00 0.00 175.30 174.01 1x5i s PRO 38 N 1.32 4.31 0.19 5.12 0.04 -1.26 -1.19 135.00 143.53 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 -0.19 -3.39 -0.04 0.00 0.04 0.00 0.00 34.50 30.92 1x5i s PRO 38 CO -0.07 -0.49 -0.22 -0.51 0.04 0.00 0.00 177.00 175.75 1x5i s LEU 39 N 1.64 2.44 0.00 -3.56 1.02 0.13 -4.45 118.68 115.90 1x5i s LEU 39 Ca 0.64 -0.87 0.00 0.00 0.02 0.00 0.00 54.13 53.92 1x5i s LEU 39 Cb -0.35 -1.07 0.00 0.00 0.02 0.00 0.00 46.19 44.79 1x5i s LEU 39 CO 0.29 0.08 0.46 0.52 0.02 0.00 0.00 176.35 177.71 1x5i n VAL 40 N 0.25 0.00 -1.31 -1.59 0.31 -1.26 -2.14 118.33 112.59 1x5i n VAL 40 Ca -0.12 0.71 0.08 0.00 -0.01 0.00 0.00 64.34 65.00 1x5i n VAL 40 Cb 0.56 -0.97 0.18 0.00 -0.91 0.00 0.00 33.84 32.70 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 -2.14 2.06 -4.00 2.52 -2.24 -1.26 -3.06 114.28 106.16 1x5i n THR 41 Ca 0.00 -2.70 -0.13 0.00 -2.27 0.00 0.00 64.05 58.96 1x5i n THR 41 Cb 0.00 -0.24 -0.03 0.00 -2.10 0.00 0.00 70.33 67.96 1x5i n THR 41 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1x5i n SER 42 N -1.26 -1.18 -3.17 3.42 3.41 -0.91 -2.95 113.62 110.98 1x5i n SER 42 Ca 0.18 -2.66 0.03 0.00 -0.26 0.00 0.00 58.87 56.16 1x5i n SER 42 Cb 0.68 2.21 -0.01 0.00 -0.26 0.00 0.00 64.21 66.83 1x5i n SER 42 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1x5i s ILE 43 N -2.77 -0.97 -0.85 -1.33 1.01 -0.67 0.19 121.20 115.81 1x5i s ILE 43 Ca 0.26 -0.01 -0.25 0.00 0.00 0.00 0.00 60.65 60.64 1x5i s ILE 43 Cb -0.01 -0.99 0.02 0.00 0.01 0.00 0.00 42.46 41.50 1x5i s ILE 43 CO 0.18 -0.01 1.48 -0.69 0.00 0.00 0.00 174.94 175.90 1x5i s VAL 44 N 2.83 3.73 -0.65 2.92 1.01 -0.33 -1.78 120.40 128.12 1x5i s VAL 44 Ca 0.19 -0.14 -0.24 0.00 0.00 0.00 0.00 61.98 61.79 1x5i s VAL 44 Cb -0.14 -4.77 0.05 0.00 0.00 0.00 0.00 36.38 31.52 1x5i s VAL 44 CO -0.22 -1.69 1.06 -0.69 0.00 0.00 0.00 175.10 173.56 1x5i s VAL 45 N 6.27 4.16 -0.21 2.92 1.01 0.13 -1.82 120.40 132.86 1x5i s VAL 45 Ca 0.46 0.06 -0.08 0.00 0.00 0.00 0.00 61.98 62.43 1x5i s VAL 45 Cb -0.05 -4.72 -0.04 0.00 0.00 0.00 0.00 36.38 31.57 1x5i s VAL 45 CO 0.05 -1.48 0.07 -0.94 0.00 0.00 0.00 175.10 172.80 1x5i s SER 46 N 3.46 5.54 0.25 3.32 1.04 0.08 -0.88 113.70 126.51 1x5i s SER 46 Ca 0.29 0.00 0.01 0.00 0.48 0.00 0.00 55.95 56.73 1x5i s SER 46 Cb -0.13 -1.97 -0.01 0.00 0.10 0.00 0.00 66.02 64.02 1x5i s SER 46 CO 0.14 0.11 0.05 -2.67 0.98 0.00 0.00 173.24 171.85 1x5i n TRP 47 N 3.99 0.31 -3.88 5.02 2.14 -0.98 0.84 117.44 124.88 1x5i n TRP 47 Ca -0.16 -1.43 -0.09 0.00 2.07 0.00 0.00 57.50 57.88 1x5i n TRP 47 Cb 0.52 -0.08 -0.08 0.00 -0.81 0.00 0.00 31.31 30.86 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 -2.24 0.13 0.80 -1.67 -4.23 -1.20 -4.81 115.64 102.41 1x5i s THR 48 Ca 0.07 -1.08 -0.11 0.00 -1.18 0.00 0.00 61.69 59.40 1x5i s THR 48 Cb 0.00 -1.08 0.07 0.00 1.34 0.00 0.00 72.50 72.83 1x5i s THR 48 CO 0.05 -0.59 1.09 -2.16 -0.54 0.00 0.00 174.62 172.47 1x5i s PRO 49 N -3.08 2.03 0.37 3.99 0.04 -1.26 -4.20 135.00 132.90 1x5i s PRO 49 Ca -0.01 1.10 -0.26 0.00 0.04 0.00 0.00 61.00 61.86 1x5i s PRO 49 Cb 0.01 -1.88 -0.09 0.00 0.04 0.00 0.00 34.50 32.59 1x5i s PRO 49 CO -0.07 -1.78 1.20 -1.25 0.04 0.00 0.00 177.00 175.14 1x5i s PRO 50 N -4.91 4.16 0.22 0.56 0.04 -1.26 -2.96 135.00 130.85 1x5i s PRO 50 Ca 0.62 1.94 -0.09 0.00 0.04 0.00 0.00 61.00 63.50 1x5i s PRO 50 Cb -0.17 -2.81 0.33 0.00 0.04 0.00 0.00 34.50 31.88 1x5i s PRO 50 CO 0.56 -0.25 1.69 0.93 0.04 0.00 0.00 177.00 179.96 1x5i h GLU 51 N 2.91 0.20 -5.87 4.56 4.39 -1.89 -3.32 114.58 115.56 1x5i h GLU 51 Ca -0.49 -0.01 -0.59 0.00 0.34 0.00 0.00 59.36 58.61 1x5i h GLU 51 Cb 1.23 -0.05 -0.12 0.00 -0.10 0.00 0.00 28.75 29.72 1x5i h GLU 51 CO 0.63 0.13 0.89 1.21 -1.16 0.00 0.00 179.01 180.72 1x5i s ASN 52 N -5.26 6.24 0.20 1.42 2.47 -1.26 -4.85 114.94 113.89 1x5i s ASN 52 Ca -0.13 -0.90 -0.01 0.00 0.42 0.00 0.00 52.86 52.23 1x5i s ASN 52 Cb 0.19 -2.49 0.14 0.00 -1.45 0.00 0.00 41.25 37.63 1x5i s ASN 52 CO 0.74 -1.59 1.51 1.56 -3.72 0.00 0.00 177.10 175.61 1x5i h GLN 53 N 9.73 0.48 -0.76 0.43 1.08 -1.99 -3.22 115.11 120.85 1x5i h GLN 53 Ca -0.19 -0.31 0.30 0.00 -1.45 0.00 0.00 58.65 56.99 1x5i h GLN 53 Cb 1.05 0.04 -0.14 0.00 -0.05 0.00 0.00 27.48 28.38 1x5i h GLN 53 CO 1.25 0.92 0.32 0.09 -0.95 0.00 0.00 178.83 180.46 1x5i n ASN 54 N -3.93 0.19 -4.72 1.46 5.03 -1.26 -4.21 115.26 107.81 1x5i n ASN 54 Ca -0.03 1.27 -0.42 0.00 0.87 0.00 0.00 54.58 56.28 1x5i n ASN 54 Cb 0.61 -0.59 -0.03 0.00 -1.02 0.00 0.00 39.78 38.76 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 -5.28 3.29 0.43 2.41 1.01 -1.22 -0.84 121.20 121.00 1x5i s ILE 55 Ca -0.08 0.95 -0.25 0.00 0.00 0.00 0.00 60.65 61.28 1x5i s ILE 55 Cb 0.25 -3.61 -0.08 0.00 0.01 0.00 0.00 42.46 39.03 1x5i s ILE 55 CO 0.60 0.09 1.31 -0.69 0.00 0.00 0.00 174.94 176.25 1x5i s VAL 56 N 0.87 2.55 -0.13 2.92 1.01 -0.23 -4.90 120.40 122.50 1x5i s VAL 56 Ca 0.63 0.48 -0.04 0.00 0.00 0.00 0.00 61.98 63.05 1x5i s VAL 56 Cb -0.37 -3.28 0.05 0.00 0.00 0.00 0.00 36.38 32.79 1x5i s VAL 56 CO 0.32 0.06 0.10 -0.69 0.00 0.00 0.00 175.10 174.89 1x5i s VAL 57 N -1.28 -0.13 0.01 2.92 1.01 -1.26 -4.47 120.40 117.19 1x5i s VAL 57 Ca 0.59 0.03 -0.11 0.00 0.00 0.00 0.00 61.98 62.49 1x5i s VAL 57 Cb -0.38 -0.45 -0.32 0.00 0.00 0.00 0.00 36.38 35.22 1x5i s VAL 57 CO 0.48 -0.12 0.89 0.03 0.00 0.00 0.00 175.10 176.39 1x5i h ARG 58 N 8.41 0.43 0.00 2.72 2.47 -1.88 -3.46 114.38 123.07 1x5i h ARG 58 Ca -0.14 -0.74 0.00 0.00 -1.26 0.00 0.00 59.98 57.84 1x5i h ARG 58 Cb 1.14 0.27 0.00 0.00 -1.65 0.00 0.00 29.97 29.73 1x5i h ARG 58 CO 0.24 1.34 0.00 0.41 0.56 0.00 0.00 179.97 182.52 1x5i n GLY 59 N 1.74 0.54 3.11 0.04 0.00 -1.21 -3.25 105.19 106.15 1x5i n GLY 59 Ca -0.18 -0.82 -0.15 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.65 0.87 -0.13 1.61 1.51 -1.17 -2.49 117.35 114.90 1x5i s TYR 60 Ca 0.00 -0.52 -0.01 0.00 -1.01 0.00 0.00 57.07 55.53 1x5i s TYR 60 Cb 0.00 -0.51 -0.02 0.00 -0.11 0.00 0.00 41.96 41.32 1x5i s TYR 60 CO 0.00 -0.04 -0.09 0.00 -1.11 0.00 0.00 175.55 174.31 1x5i s ALA 61 N -1.54 2.80 -0.11 3.71 0.00 -0.95 -2.95 121.76 122.71 1x5i s ALA 61 Ca -0.05 -0.86 -0.01 0.00 0.00 0.00 0.00 51.96 51.03 1x5i s ALA 61 Cb -0.09 -1.34 -0.03 0.00 0.00 0.00 0.00 23.12 21.67 1x5i s ALA 61 CO 0.01 0.28 -0.05 0.42 0.00 0.00 0.00 175.76 176.41 1x5i s ILE 62 N 0.21 3.83 -0.02 0.00 1.01 -0.58 -2.62 121.20 123.04 1x5i s ILE 62 Ca -0.06 -0.41 0.03 0.00 0.00 0.00 0.00 60.65 60.22 1x5i s ILE 62 Cb -0.15 -2.62 -0.00 0.00 0.01 0.00 0.00 42.46 39.70 1x5i s ILE 62 CO 0.04 0.55 -0.12 -0.83 0.00 0.00 0.00 174.94 174.58 1x5i s GLY 63 N -0.26 0.64 -0.02 6.18 0.00 -0.47 -0.25 107.32 113.14 1x5i s GLY 63 Ca 0.04 -0.48 -0.04 0.00 0.00 0.00 0.00 44.72 44.24 1x5i s GLY 63 CO 0.02 -0.28 0.10 -2.52 0.00 0.00 0.00 173.10 170.42 1x5i s TYR 64 N -0.03 -0.02 0.00 1.90 1.13 -1.18 -0.46 117.35 118.69 1x5i s TYR 64 Ca -0.00 0.05 0.00 0.00 -1.41 0.00 0.00 57.07 55.70 1x5i s TYR 64 Cb -0.08 -0.02 0.00 0.00 -1.10 0.00 0.00 41.96 40.76 1x5i s TYR 64 CO 0.00 -0.15 0.00 0.41 -2.51 0.00 0.00 175.55 173.30 1x5i n GLY 65 N 2.32 1.39 3.58 5.49 0.00 -1.18 -2.75 105.19 114.03 1x5i n GLY 65 Ca -0.17 0.23 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.29 3.02 0.00 -0.61 1.01 -1.26 -1.86 121.20 121.21 1x5i s ILE 66 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.67 1x5i s ILE 66 Cb 0.00 -3.04 0.00 0.00 0.01 0.00 0.00 42.46 39.43 1x5i s ILE 66 CO 0.00 -0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.52 1x5i n GLY 67 N 5.88 3.10 3.55 6.18 0.00 -1.26 -5.00 105.19 117.64 1x5i n GLY 67 Ca 0.33 -0.97 -0.14 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.67 0.00 1.61 0.15 -0.78 -5.02 113.70 108.99 1x5i s SER 68 Ca 0.00 1.22 0.12 0.00 0.70 0.00 0.00 55.95 57.99 1x5i s SER 68 Cb 0.00 1.22 0.71 0.00 -1.71 0.00 0.00 66.02 66.24 1x5i s SER 68 CO 0.00 -0.28 1.14 -0.81 1.20 0.00 0.00 173.24 174.49 1x5i n PRO 69 N 2.46 0.48 -0.86 5.44 -0.04 -1.26 -3.53 135.00 137.70 1x5i n PRO 69 Ca -0.15 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.18 1x5i n PRO 69 Cb 0.56 -1.38 0.01 0.00 -0.04 0.00 0.00 33.50 32.64 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 -0.88 1.07 -0.04 0.54 8.25 -1.26 -3.99 115.22 118.91 1x5i n HIS 70 Ca 0.09 -1.70 -0.08 0.00 -0.26 0.00 0.00 57.72 55.77 1x5i n HIS 70 Cb 0.04 -0.92 -0.03 0.00 1.12 0.00 0.00 29.99 30.20 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 0.82 2.44 -2.34 -1.41 0.00 -1.24 -5.07 120.51 113.71 1x5i n ALA 71 Ca 0.25 -0.31 -0.08 0.00 0.00 0.00 0.00 53.44 53.30 1x5i n ALA 71 Cb 0.57 0.39 -0.10 0.00 0.00 0.00 0.00 19.45 20.32 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 -2.14 0.58 -0.04 0.00 -1.52 -1.11 -5.03 119.66 110.39 1x5i s GLN 72 Ca -0.11 -1.05 -0.01 0.00 -1.95 0.00 0.00 55.36 52.24 1x5i s GLN 72 Cb 0.04 0.21 0.03 0.00 -0.22 0.00 0.00 33.01 33.07 1x5i s GLN 72 CO 0.14 -0.12 0.08 0.99 -0.25 0.00 0.00 175.29 176.13 1x5i s THR 73 N -3.39 -0.06 -0.26 -0.19 2.01 -1.26 -3.10 115.64 109.40 1x5i s THR 73 Ca 0.02 0.21 0.02 0.00 0.31 0.00 0.00 61.69 62.24 1x5i s THR 73 Cb 0.04 -0.15 0.07 0.00 0.01 0.00 0.00 72.50 72.47 1x5i s THR 73 CO -0.08 0.08 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.26 1x5i s ILE 74 N 1.14 1.74 -0.24 1.82 1.01 0.66 -4.96 121.20 122.38 1x5i s ILE 74 Ca -0.09 -1.47 -0.13 0.00 0.00 0.00 0.00 60.65 58.96 1x5i s ILE 74 Cb -0.12 -2.01 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 1x5i s ILE 74 CO -0.04 -0.17 0.29 -0.54 0.00 0.00 0.00 174.94 174.47 1x5i s LYS 75 N 1.28 4.09 0.07 2.79 1.02 -1.26 -1.52 119.74 126.20 1x5i s LYS 75 Ca -0.04 -0.04 0.02 0.00 0.02 0.00 0.00 55.97 55.92 1x5i s LYS 75 Cb -0.19 -3.57 -0.03 0.00 -0.52 0.00 0.00 37.83 33.51 1x5i s LYS 75 CO -0.07 -0.06 -0.07 0.14 -0.92 0.00 0.00 175.35 174.37 1x5i s VAL 76 N 1.41 0.59 0.69 3.17 -7.23 -1.15 -5.05 120.40 112.83 1x5i s VAL 76 Ca 0.13 -1.57 -0.17 0.00 -1.81 0.00 0.00 61.98 58.56 1x5i s VAL 76 Cb -0.15 -1.22 -0.10 0.00 0.56 0.00 0.00 36.38 35.47 1x5i s VAL 76 CO 0.07 -0.68 0.03 0.47 -0.31 0.00 0.00 175.10 174.69 1x5i n ASP 77 N 0.60 -3.03 -0.05 4.85 9.92 -1.26 -3.05 116.55 124.53 1x5i n ASP 77 Ca -0.17 0.54 -0.10 0.00 -0.53 0.00 0.00 54.79 54.54 1x5i n ASP 77 Cb 0.58 -0.99 -0.03 0.00 -0.64 0.00 0.00 41.12 40.04 1x5i n ASP 77 CO 0.00 0.00 0.00 0.10 0.13 0.00 0.00 177.20 177.43 1x5i h TYR 78 N -0.34 0.23 -0.98 1.24 -0.00 -1.87 -2.73 116.97 112.54 1x5i h TYR 78 Ca -0.44 0.01 0.26 0.00 -0.00 0.00 0.00 58.73 58.56 1x5i h TYR 78 Cb 1.38 -0.07 -0.18 0.00 -0.00 0.00 0.00 36.73 37.85 1x5i h TYR 78 CO 0.28 0.14 -0.02 1.63 -0.00 0.00 0.00 178.16 180.18 1x5i n LYS 79 N -4.97 -0.08 -1.04 0.10 5.02 -1.26 -4.49 118.16 111.44 1x5i n LYS 79 Ca -0.03 1.47 -0.47 0.00 -2.02 0.00 0.00 58.31 57.26 1x5i n LYS 79 Cb 0.04 -2.32 -0.09 0.00 -0.02 0.00 0.00 35.03 32.65 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 -5.48 0.00 0.10 1.97 1.13 -1.03 -4.80 117.38 109.27 1x5i n GLN 80 Ca 0.22 0.00 -0.20 0.00 -1.94 0.00 0.00 57.00 55.08 1x5i n GLN 80 Cb 0.71 -1.16 -0.12 0.00 0.11 0.00 0.00 30.24 29.78 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 6.31 0.50 -3.15 -1.09 9.65 -1.90 -3.48 114.38 121.23 1x5i h ARG 81 Ca -0.13 -0.71 -0.01 0.00 -1.10 0.00 0.00 59.98 58.03 1x5i h ARG 81 Cb 1.09 0.24 -0.11 0.00 -1.39 0.00 0.00 29.97 29.80 1x5i h ARG 81 CO 0.82 1.31 0.12 1.52 2.80 0.00 0.00 179.97 186.54 1x5i s TYR 82 N -2.89 -0.33 -0.00 2.20 1.13 -1.26 -2.30 117.35 113.90 1x5i s TYR 82 Ca -0.08 0.03 0.03 0.00 -1.41 0.00 0.00 57.07 55.65 1x5i s TYR 82 Cb 0.06 0.48 -0.01 0.00 -1.10 0.00 0.00 41.96 41.40 1x5i s TYR 82 CO 0.92 -0.89 -0.10 -0.47 -2.51 0.00 0.00 175.55 172.49 1x5i s TYR 83 N -3.81 0.87 -0.66 -3.49 5.04 -0.06 -4.96 117.35 110.28 1x5i s TYR 83 Ca 0.05 -0.19 -0.11 0.00 -2.44 0.00 0.00 57.07 54.37 1x5i s TYR 83 Cb -0.01 -0.55 0.17 0.00 0.35 0.00 0.00 41.96 41.92 1x5i s TYR 83 CO -0.08 -0.01 0.57 0.99 -1.34 0.00 0.00 175.55 175.68 1x5i s THR 84 N -0.34 4.89 -0.14 4.34 2.01 -1.26 0.19 115.64 125.34 1x5i s THR 84 Ca 0.03 -2.22 -0.29 0.00 0.31 0.00 0.00 61.69 59.51 1x5i s THR 84 Cb -0.04 -4.11 -0.04 0.00 0.01 0.00 0.00 72.50 68.32 1x5i s THR 84 CO -0.00 -0.92 1.63 -0.63 -0.69 0.00 0.00 174.62 174.01 1x5i s ILE 85 N 0.66 3.66 0.58 1.82 1.01 -0.73 -4.80 121.20 123.39 1x5i s ILE 85 Ca 0.12 0.78 0.07 0.00 0.00 0.00 0.00 60.65 61.62 1x5i s ILE 85 Cb -0.19 -3.59 0.07 0.00 0.01 0.00 0.00 42.46 38.76 1x5i s ILE 85 CO -0.04 -0.16 0.60 -1.61 0.00 0.00 0.00 174.94 173.73 1x5i s GLU 86 N 4.33 2.23 -0.82 2.79 0.41 -1.26 -1.67 118.70 124.71 1x5i s GLU 86 Ca 0.72 -1.90 -0.03 0.00 -0.41 0.00 0.00 54.97 53.34 1x5i s GLU 86 Cb -0.29 -2.33 0.00 0.00 -1.78 0.00 0.00 34.13 29.74 1x5i s GLU 86 CO 0.28 -0.80 0.71 0.09 -0.49 0.00 0.00 175.26 175.05 1x5i n ASN 87 N -2.03 -3.62 -4.61 -0.19 3.02 -1.23 -4.98 115.26 101.62 1x5i n ASN 87 Ca 0.06 -0.37 -0.26 0.00 -0.03 0.00 0.00 54.58 53.99 1x5i n ASN 87 Cb 0.63 -3.42 -0.10 0.00 -0.61 0.00 0.00 39.78 36.29 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 -4.92 2.88 -0.09 3.41 1.43 -1.15 -5.08 118.68 115.16 1x5i s LEU 88 Ca 0.22 -1.16 0.00 0.00 -1.03 0.00 0.00 54.13 52.16 1x5i s LEU 88 Cb -0.09 -1.13 -0.03 0.00 0.03 0.00 0.00 46.19 44.97 1x5i s LEU 88 CO 0.46 -0.30 -0.08 -0.62 0.23 0.00 0.00 176.35 176.04 1x5i s ASP 89 N -3.69 4.47 0.80 2.29 2.15 -1.26 -4.60 116.67 116.82 1x5i s ASP 89 Ca 0.35 -0.12 -0.11 0.00 0.43 0.00 0.00 52.55 53.09 1x5i s ASP 89 Cb 0.03 -1.32 0.07 0.00 -0.30 0.00 0.00 42.92 41.40 1x5i s ASP 89 CO 0.18 0.29 1.09 -2.16 -0.17 0.00 0.00 175.17 174.40 1x5i s PRO 90 N -0.35 2.02 -1.13 4.34 0.04 -1.17 -4.01 135.00 134.73 1x5i s PRO 90 Ca 0.05 1.09 -0.03 0.00 0.04 0.00 0.00 61.00 62.15 1x5i s PRO 90 Cb -0.12 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.54 1x5i s PRO 90 CO 0.02 -1.79 0.96 0.43 0.04 0.00 0.00 177.00 176.67 1x5i n SER 91 N -3.61 -3.41 -3.70 6.66 7.64 0.05 -4.95 113.62 112.30 1x5i n SER 91 Ca 0.09 -0.53 -0.11 0.00 1.01 0.00 0.00 58.87 59.32 1x5i n SER 91 Cb 0.53 -4.63 -0.10 0.00 -1.01 0.00 0.00 64.21 59.00 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 -3.90 -0.51 0.04 6.43 0.01 -1.26 -4.98 113.70 109.54 1x5i s SER 92 Ca 0.19 0.91 -0.30 0.00 1.31 0.00 0.00 55.95 58.06 1x5i s SER 92 Cb -0.08 0.84 -0.04 0.00 0.21 0.00 0.00 66.02 66.94 1x5i s SER 92 CO 0.66 -0.18 0.97 -2.28 0.41 0.00 0.00 173.24 172.82 1x5i s HIS 93 N 1.00 3.72 -0.15 2.43 5.65 -1.26 -2.29 115.29 124.39 1x5i s HIS 93 Ca -0.06 1.74 0.01 0.00 0.25 0.00 0.00 55.06 56.99 1x5i s HIS 93 Cb -0.06 -3.09 0.02 0.00 -1.18 0.00 0.00 32.58 28.26 1x5i s HIS 93 CO -0.08 0.07 -0.15 0.71 -0.65 0.00 0.00 174.74 174.64 1x5i s TYR 94 N 0.62 2.19 -0.46 3.88 1.51 -0.04 -4.48 117.35 120.56 1x5i s TYR 94 Ca 0.50 -1.21 -0.25 0.00 -1.01 0.00 0.00 57.07 55.10 1x5i s TYR 94 Cb -0.22 -1.60 0.03 0.00 -0.11 0.00 0.00 41.96 40.06 1x5i s TYR 94 CO 0.29 -0.65 0.90 0.08 -1.11 0.00 0.00 175.55 175.06 1x5i s VAL 95 N 1.40 4.50 -0.16 0.71 1.01 -1.24 -2.65 120.40 123.97 1x5i s VAL 95 Ca 0.03 0.67 -0.08 0.00 0.00 0.00 0.00 61.98 62.60 1x5i s VAL 95 Cb -0.13 -4.42 -0.04 0.00 0.00 0.00 0.00 36.38 31.78 1x5i s VAL 95 CO -0.10 -0.83 0.13 -0.63 0.00 0.00 0.00 175.10 173.67 1x5i s ILE 96 N 3.69 5.41 0.04 2.22 1.09 -1.24 -3.13 121.20 129.27 1x5i s ILE 96 Ca 0.36 0.18 0.05 0.00 -1.10 0.00 0.00 60.65 60.14 1x5i s ILE 96 Cb -0.10 -3.41 -0.02 0.00 -1.06 0.00 0.00 42.46 37.87 1x5i s ILE 96 CO 0.25 0.54 -0.15 0.42 -0.10 0.00 0.00 174.94 175.90 1x5i s THR 97 N -0.37 1.22 -0.04 2.92 -4.23 0.39 -1.99 115.64 113.53 1x5i s THR 97 Ca 0.11 -1.01 0.02 0.00 -1.18 0.00 0.00 61.69 59.64 1x5i s THR 97 Cb -0.12 -1.09 0.01 0.00 1.34 0.00 0.00 72.50 72.65 1x5i s THR 97 CO 0.01 0.07 -0.09 -0.22 -0.54 0.00 0.00 174.62 173.85 1x5i s LEU 98 N -1.08 1.65 -0.04 4.79 2.96 -1.26 -1.37 118.68 124.32 1x5i s LEU 98 Ca 0.03 -0.21 0.00 0.00 -0.22 0.00 0.00 54.13 53.73 1x5i s LEU 98 Cb -0.08 -0.61 0.03 0.00 0.50 0.00 0.00 46.19 46.03 1x5i s LEU 98 CO 0.01 0.03 -0.01 -1.59 -1.32 0.00 0.00 176.35 173.48 1x5i s LYS 99 N 0.48 0.48 -0.18 1.98 -2.85 -1.08 -0.66 119.74 117.91 1x5i s LYS 99 Ca -0.08 0.05 -0.26 0.00 -1.00 0.00 0.00 55.97 54.67 1x5i s LYS 99 Cb -0.12 -0.68 -0.01 0.00 -2.06 0.00 0.00 37.83 34.96 1x5i s LYS 99 CO 0.01 -0.16 0.90 0.00 0.10 0.00 0.00 175.35 176.19 1x5i s ALA 100 N 1.24 3.55 0.37 0.59 0.00 -1.26 -2.24 121.76 124.01 1x5i s ALA 100 Ca -0.06 0.09 0.07 0.00 0.00 0.00 0.00 51.96 52.05 1x5i s ALA 100 Cb -0.13 -3.33 -0.07 0.00 0.00 0.00 0.00 23.12 19.59 1x5i s ALA 100 CO -0.02 -0.76 -0.00 -0.59 0.00 0.00 0.00 175.76 174.39 1x5i s PHE 101 N 2.43 2.33 0.19 0.00 -0.71 -1.04 0.24 117.98 121.42 1x5i s PHE 101 Ca 0.40 -0.71 -0.08 0.00 -1.04 0.00 0.00 56.93 55.50 1x5i s PHE 101 Cb -0.16 -1.56 0.03 0.00 -1.21 0.00 0.00 43.02 40.12 1x5i s PHE 101 CO 0.11 0.36 0.43 0.27 -1.34 0.00 0.00 175.22 175.05 1x5i n ASN 102 N -0.85 -1.15 -0.21 1.98 6.94 0.51 -2.93 115.26 119.56 1x5i n ASN 102 Ca -0.04 -1.77 0.18 0.00 -0.02 0.00 0.00 54.58 52.93 1x5i n ASN 102 Cb 0.66 1.90 0.52 0.00 -2.36 0.00 0.00 39.78 40.50 1x5i n ASN 102 CO 0.00 0.00 0.00 0.78 -1.03 0.00 0.00 177.26 177.01 1x5i h ASN 103 N 1.03 0.38 -0.05 0.53 4.21 -1.93 -1.33 115.58 118.42 1x5i h ASN 103 Ca -0.17 0.03 -0.01 0.00 1.21 0.00 0.00 56.30 57.37 1x5i h ASN 103 Cb 0.64 -0.04 -0.00 0.00 -1.12 0.00 0.00 38.32 37.80 1x5i h ASN 103 CO 0.22 0.17 0.00 0.58 -1.29 0.00 0.00 177.43 177.11 1x5i h VAL 104 N 0.39 1.24 0.00 2.81 2.07 -1.82 -3.49 116.25 117.44 1x5i h VAL 104 Ca 0.43 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 67.23 1x5i h VAL 104 Cb 1.08 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 32.49 1x5i h VAL 104 CO -0.15 0.20 0.00 0.61 0.02 0.00 0.00 177.57 178.25 1x5i n GLY 105 N -0.31 -0.53 3.25 2.17 0.00 -0.50 -4.89 105.19 104.38 1x5i n GLY 105 Ca -0.07 0.31 -0.15 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 1.05 0.30 1.61 2.02 -1.26 -0.36 118.70 122.06 1x5i s GLU 106 Ca 0.00 -1.40 0.04 0.00 0.02 0.00 0.00 54.97 53.64 1x5i s GLU 106 Cb 0.00 -0.70 0.04 0.00 0.10 0.00 0.00 34.13 33.58 1x5i s GLU 106 CO 0.00 0.10 0.37 0.41 0.02 0.00 0.00 175.26 176.16 1x5i n GLY 107 N -0.01 2.15 3.70 -1.39 0.00 0.65 -4.69 105.19 105.59 1x5i n GLY 107 Ca -0.12 -2.19 -0.42 0.00 0.00 0.00 0.00 46.02 43.30 1x5i n GLY 107 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x5i s ILE 108 N -0.97 4.89 0.84 -0.61 -1.09 -1.26 -4.58 121.20 118.41 1x5i s ILE 108 Ca 0.28 1.84 -0.11 0.00 -2.23 0.00 0.00 60.65 60.43 1x5i s ILE 108 Cb -0.02 -4.22 0.10 0.00 -1.58 0.00 0.00 42.46 36.73 1x5i s ILE 108 CO 0.18 0.11 1.09 -2.16 -1.23 0.00 0.00 174.94 172.93 1x5i s PRO 109 N 1.47 1.72 0.55 2.79 0.04 -1.26 -4.13 135.00 136.18 1x5i s PRO 109 Ca 0.45 0.99 0.05 0.00 0.04 0.00 0.00 61.00 62.53 1x5i s PRO 109 Cb -0.19 -1.85 0.04 0.00 0.04 0.00 0.00 34.50 32.54 1x5i s PRO 109 CO 0.20 -1.96 0.38 -0.51 0.04 0.00 0.00 177.00 175.15 1x5i s LEU 110 N -6.08 2.65 -0.11 -3.56 1.43 0.16 -4.86 118.68 108.32 1x5i s LEU 110 Ca 0.62 -1.28 -0.03 0.00 -1.03 0.00 0.00 54.13 52.41 1x5i s LEU 110 Cb -0.18 -1.14 0.04 0.00 0.03 0.00 0.00 46.19 44.95 1x5i s LEU 110 CO 0.57 -1.11 0.07 -0.31 0.23 0.00 0.00 176.35 175.79 1x5i s TYR 111 N -2.79 0.25 0.40 0.29 1.51 -1.26 -4.13 117.35 111.62 1x5i s TYR 111 Ca 0.32 -0.11 0.04 0.00 -1.01 0.00 0.00 57.07 56.31 1x5i s TYR 111 Cb -0.02 -0.64 -0.03 0.00 -0.11 0.00 0.00 41.96 41.16 1x5i s TYR 111 CO 0.20 -0.37 0.11 -1.21 -1.11 0.00 0.00 175.55 173.16 1x5i s GLU 112 N 2.11 1.89 -0.02 -0.62 0.41 -0.84 -5.04 118.70 116.59 1x5i s GLU 112 Ca 0.03 -2.14 -0.01 0.00 -0.41 0.00 0.00 54.97 52.45 1x5i s GLU 112 Cb -0.14 -0.71 0.02 0.00 -1.78 0.00 0.00 34.13 31.52 1x5i s GLU 112 CO -0.06 -0.41 0.05 -1.54 -0.49 0.00 0.00 175.26 172.81 1x5i s SER 113 N -3.60 -0.00 -0.15 -0.19 1.04 -1.26 -3.67 113.70 105.86 1x5i s SER 113 Ca 0.25 0.09 -0.04 0.00 0.48 0.00 0.00 55.95 56.74 1x5i s SER 113 Cb 0.04 0.03 0.07 0.00 0.10 0.00 0.00 66.02 66.26 1x5i s SER 113 CO 0.14 -0.08 0.19 0.00 0.98 0.00 0.00 173.24 174.47 1x5i s ALA 114 N 0.64 -0.19 -0.66 5.32 0.00 -1.09 -4.90 121.76 120.89 1x5i s ALA 114 Ca -0.05 0.36 -0.16 0.00 0.00 0.00 0.00 51.96 52.11 1x5i s ALA 114 Cb -0.07 -1.10 0.16 0.00 0.00 0.00 0.00 23.12 22.11 1x5i s ALA 114 CO -0.02 -0.94 0.63 0.08 0.00 0.00 0.00 175.76 175.51 1x5i s VAL 115 N 2.30 5.32 0.26 0.00 1.01 -1.26 -0.86 120.40 127.17 1x5i s VAL 115 Ca 0.05 -1.83 -0.27 0.00 0.00 0.00 0.00 61.98 59.93 1x5i s VAL 115 Cb -0.14 -4.41 -0.16 0.00 0.00 0.00 0.00 36.38 31.67 1x5i s VAL 115 CO -0.09 -0.96 0.51 0.35 0.00 0.00 0.00 175.10 174.91 1x5i n THR 116 N 4.80 1.77 -1.02 3.92 -2.24 -0.97 -4.82 114.28 115.72 1x5i n THR 116 Ca -0.02 -0.50 -0.35 0.00 -2.27 0.00 0.00 64.05 60.91 1x5i n THR 116 Cb 0.43 -0.15 0.09 0.00 -2.10 0.00 0.00 70.33 68.60 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 1.00 -0.00 0.00 -0.78 1.74 -1.25 -2.28 116.66 115.08 1x5i n ARG 117 Ca 0.16 0.04 0.07 0.00 -0.77 0.00 0.00 57.85 57.35 1x5i n ARG 117 Cb 0.29 -1.79 0.40 0.00 -1.02 0.00 0.00 32.46 30.33 1x5i n ARG 117 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1x5i n PRO 118 N -1.01 0.28 -3.98 5.56 -0.04 -1.26 -0.77 135.00 133.78 1x5i n PRO 118 Ca 0.08 0.11 -0.29 0.00 -0.04 0.00 0.00 63.50 63.35 1x5i n PRO 118 Cb 0.52 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.48 1x5i n PRO 118 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1x5i n HIS 119 N -1.21 -1.89 -3.67 0.54 -0.00 -1.26 -4.69 115.22 103.04 1x5i n HIS 119 Ca 0.08 0.82 -0.38 0.00 0.46 0.00 0.00 57.72 58.70 1x5i n HIS 119 Cb 0.10 -3.69 -0.09 0.00 -0.12 0.00 0.00 29.99 26.19 1x5i n HIS 119 CO 0.00 0.00 0.00 0.99 0.46 0.00 0.00 176.34 177.79 1x5i s THR 120 N -3.56 3.93 -0.01 3.57 2.01 -1.26 -4.94 115.64 115.38 1x5i s THR 120 Ca 0.38 -2.89 -0.23 0.00 0.31 0.00 0.00 61.69 59.25 1x5i s THR 120 Cb -0.20 -3.54 -0.14 0.00 0.01 0.00 0.00 72.50 68.63 1x5i s THR 120 CO 0.87 -0.89 1.01 0.28 -0.69 0.00 0.00 174.62 175.20 1x5i h SER 121 N 7.13 -0.55 -4.35 3.53 0.02 -2.04 -3.50 113.55 113.79 1x5i h SER 121 Ca -0.00 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1x5i h SER 121 Cb 0.96 0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.64 1x5i h SER 121 CO 0.72 -0.14 0.00 0.61 -1.14 0.00 0.00 176.83 176.88 1x5i n GLY 122 N -0.20 -0.11 3.73 -3.77 0.00 -1.26 -5.03 105.19 98.55 1x5i n GLY 122 Ca -0.10 -2.26 -0.41 0.00 0.00 0.00 0.00 46.02 43.25 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 0.00 4.38 0.21 1.61 0.04 -1.26 -5.00 135.00 134.98 1x5i s PRO 123 Ca 0.00 2.04 -0.30 0.00 0.04 0.00 0.00 61.00 62.78 1x5i s PRO 123 Cb 0.00 -3.21 -0.08 0.00 0.04 0.00 0.00 34.50 31.25 1x5i s PRO 123 CO 0.00 -0.28 0.97 -1.54 0.04 0.00 0.00 177.00 176.20 1x5i s SER 124 N 0.48 7.55 0.18 6.66 1.04 -1.26 -5.03 113.70 123.32 1x5i s SER 124 Ca 0.58 1.95 -0.23 0.00 0.48 0.00 0.00 55.95 58.73 1x5i s SER 124 Cb -0.36 -2.61 0.07 0.00 0.10 0.00 0.00 66.02 63.22 1x5i s SER 124 CO 0.37 0.05 0.97 -0.94 0.98 0.00 0.00 173.24 174.66 1x5i s SER 125 N -0.80 -0.11 0.00 7.02 1.04 -1.26 -5.33 113.70 114.26 1x5i s SER 125 Ca 0.43 -0.54 0.00 0.00 0.48 0.00 0.00 55.95 56.32 1x5i s SER 125 Cb -0.26 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.38 1x5i s SER 125 CO 0.33 -0.99 0.00 0.61 0.98 0.00 0.00 173.24 174.16