#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5i s SER 2 N 0.00 -0.36 0.27 1.61 0.15 -1.26 -5.18 113.70 108.94 1x5i s SER 2 Ca 0.00 0.22 -0.05 0.00 0.70 0.00 0.00 55.95 56.82 1x5i s SER 2 Cb 0.00 0.42 -0.01 0.00 -1.71 0.00 0.00 66.02 64.71 1x5i s SER 2 CO 0.00 -0.58 0.37 -0.55 1.20 0.00 0.00 173.24 173.68 1x5i s SER 3 N -1.57 0.43 0.00 5.45 0.15 -1.26 -5.15 113.70 111.76 1x5i s SER 3 Ca -0.10 -1.30 0.00 0.00 0.70 0.00 0.00 55.95 55.26 1x5i s SER 3 Cb -0.02 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.84 1x5i s SER 3 CO 0.03 -1.11 0.00 0.61 1.20 0.00 0.00 173.24 173.97 1x5i n GLY 4 N -0.43 0.29 0.25 9.45 0.00 -1.26 -5.08 105.19 108.41 1x5i n GLY 4 Ca 0.01 0.60 -0.23 0.00 0.00 0.00 0.00 46.02 46.40 1x5i n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x5i n SER 5 N 0.00 1.75 -4.60 1.61 7.64 -1.26 -4.99 113.62 113.76 1x5i n SER 5 Ca 0.00 0.22 -0.43 0.00 1.01 0.00 0.00 58.87 59.67 1x5i n SER 5 Cb 0.00 -0.63 -0.00 0.00 -1.01 0.00 0.00 64.21 62.57 1x5i n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x5i n SER 6 N -3.89 1.36 0.00 6.43 7.64 -1.26 -4.89 113.62 119.01 1x5i n SER 6 Ca -0.45 1.12 0.00 0.00 1.01 0.00 0.00 58.87 60.55 1x5i n SER 6 Cb 0.84 -1.33 0.00 0.00 -1.01 0.00 0.00 64.21 62.71 1x5i n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5i n GLY 7 N 1.18 -1.80 3.77 0.23 0.00 -1.26 -5.17 105.19 102.14 1x5i n GLY 7 Ca 0.09 0.70 -0.31 0.00 0.00 0.00 0.00 46.02 46.49 1x5i n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5i s PRO 8 N 0.00 2.39 -0.25 1.61 0.04 -1.26 -4.92 135.00 132.61 1x5i s PRO 8 Ca 0.00 1.22 -0.01 0.00 0.04 0.00 0.00 61.00 62.25 1x5i s PRO 8 Cb 0.00 -1.91 0.14 0.00 0.04 0.00 0.00 34.50 32.77 1x5i s PRO 8 CO 0.00 -1.55 2.12 0.00 0.04 0.00 0.00 177.00 177.62 1x5i n ALA 9 N -3.25 5.01 -2.81 8.56 0.00 -1.26 -4.85 120.51 121.91 1x5i n ALA 9 Ca 0.09 -1.39 -0.15 0.00 0.00 0.00 0.00 53.44 52.00 1x5i n ALA 9 Cb 0.53 -1.38 -0.12 0.00 0.00 0.00 0.00 19.45 18.48 1x5i n ALA 9 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1x5i s THR 10 N -1.67 0.70 1.09 0.00 2.01 -1.26 -5.15 115.64 111.37 1x5i s THR 10 Ca 0.27 -1.10 -0.17 0.00 0.31 0.00 0.00 61.69 61.00 1x5i s THR 10 Cb 0.20 -0.73 0.13 0.00 0.01 0.00 0.00 72.50 72.12 1x5i s THR 10 CO -0.02 -0.30 0.11 0.47 -0.69 0.00 0.00 174.62 174.18 1x5i n ASP 11 N 1.50 -2.75 -4.61 3.53 8.00 -1.26 -4.87 116.55 116.09 1x5i n ASP 11 Ca -0.22 -0.27 -0.43 0.00 0.71 0.00 0.00 54.79 54.58 1x5i n ASP 11 Cb 0.55 -0.86 -0.04 0.00 -0.02 0.00 0.00 41.12 40.75 1x5i n ASP 11 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1x5i s TRP 12 N -2.15 3.08 -0.28 1.24 0.52 -1.26 -5.02 118.94 115.07 1x5i s TRP 12 Ca 0.48 0.80 -0.13 0.00 0.02 0.00 0.00 56.10 57.27 1x5i s TRP 12 Cb -0.08 -3.66 -0.04 0.00 -1.15 0.00 0.00 33.47 28.53 1x5i s TRP 12 CO 0.52 -0.83 0.27 -0.51 0.02 0.00 0.00 176.95 176.43 1x5i s LEU 13 N 3.50 4.05 -1.02 2.99 1.02 -1.26 -5.01 118.68 122.94 1x5i s LEU 13 Ca 0.39 0.11 -0.03 0.00 0.02 0.00 0.00 54.13 54.61 1x5i s LEU 13 Cb -0.12 -2.26 0.29 0.00 0.02 0.00 0.00 46.19 44.13 1x5i s LEU 13 CO 0.19 -0.12 1.30 -1.54 0.02 0.00 0.00 176.35 176.20 1x5i n SER 14 N 5.19 5.84 -3.88 2.29 3.41 -1.26 -4.80 113.62 120.42 1x5i n SER 14 Ca -0.11 -3.35 -0.26 0.00 -0.26 0.00 0.00 58.87 54.88 1x5i n SER 14 Cb 0.51 -1.20 -0.07 0.00 -0.26 0.00 0.00 64.21 63.19 1x5i n SER 14 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x5i n ALA 15 N 1.52 -1.53 -3.41 7.33 0.00 -1.26 -4.82 120.51 118.33 1x5i n ALA 15 Ca 0.26 -0.28 -0.43 0.00 0.00 0.00 0.00 53.44 52.99 1x5i n ALA 15 Cb 0.35 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 18.79 1x5i n ALA 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1x5i s GLU 16 N -6.20 3.82 0.06 0.00 2.12 -1.26 -5.02 118.70 112.23 1x5i s GLU 16 Ca 0.18 -3.04 0.07 0.00 0.36 0.00 0.00 54.97 52.54 1x5i s GLU 16 Cb -0.11 -4.37 -0.03 0.00 0.26 0.00 0.00 34.13 29.88 1x5i s GLU 16 CO 0.77 -1.25 -0.19 0.95 -0.54 0.00 0.00 175.26 175.00 1x5i s THR 17 N -0.93 1.52 -0.26 -1.70 -4.23 -1.26 -5.06 115.64 103.72 1x5i s THR 17 Ca 0.27 -1.27 -0.12 0.00 -1.18 0.00 0.00 61.69 59.39 1x5i s THR 17 Cb -0.10 -1.36 -0.12 0.00 1.34 0.00 0.00 72.50 72.26 1x5i s THR 17 CO -0.09 0.05 -0.33 2.22 -0.54 0.00 0.00 174.62 175.93 1x5i n PHE 18 N 1.59 0.00 -3.75 3.99 1.16 -1.26 -4.98 117.46 114.21 1x5i n PHE 18 Ca -0.18 0.00 -0.20 0.00 -1.87 0.00 0.00 57.45 55.19 1x5i n PHE 18 Cb 0.54 -0.94 -0.17 0.00 -1.61 0.00 0.00 39.48 37.29 1x5i n PHE 18 CO 0.00 0.00 0.00 -1.83 -1.87 0.00 0.00 176.76 173.06 1x5i s GLU 19 N -2.48 0.24 0.12 3.97 -1.05 -1.26 -5.01 118.70 113.23 1x5i s GLU 19 Ca -0.36 0.22 0.00 0.00 -0.15 0.00 0.00 54.97 54.68 1x5i s GLU 19 Cb 0.14 -0.67 0.00 0.00 -0.44 0.00 0.00 34.13 33.15 1x5i s GLU 19 CO 0.47 -0.28 0.00 -1.13 0.95 0.00 0.00 175.26 175.27 1x5i n SER 20 N 5.03 0.14 0.06 0.83 3.41 -1.26 -4.89 113.62 116.93 1x5i n SER 20 Ca -0.09 0.20 -0.16 0.00 -0.26 0.00 0.00 58.87 58.55 1x5i n SER 20 Cb 0.50 0.08 -0.14 0.00 -0.26 0.00 0.00 64.21 64.39 1x5i n SER 20 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1x5i h ASP 21 N 0.00 0.37 -1.73 4.04 2.03 -1.98 -3.47 116.42 115.68 1x5i h ASP 21 Ca 0.00 -0.52 -0.66 0.00 -0.73 0.00 0.00 57.03 55.12 1x5i h ASP 21 Cb 0.17 -0.12 0.09 0.00 -0.83 0.00 0.00 39.33 38.64 1x5i h ASP 21 CO 0.00 1.44 0.03 0.18 -1.03 0.00 0.00 179.24 179.86 1x5i n LEU 22 N -3.43 0.77 -4.43 0.15 4.77 -1.26 -4.89 117.00 108.67 1x5i n LEU 22 Ca -0.17 1.15 -0.44 0.00 -0.03 0.00 0.00 56.01 56.52 1x5i n LEU 22 Cb 1.04 -1.14 -0.05 0.00 -2.33 0.00 0.00 43.42 40.94 1x5i n LEU 22 CO 0.50 -1.78 0.41 -0.62 -1.33 0.00 0.00 177.39 174.57 1x5i s ASP 23 N -0.35 6.22 -0.16 -1.43 2.15 0.36 -4.84 116.67 118.62 1x5i s ASP 23 Ca 0.70 -1.04 0.08 0.00 0.43 0.00 0.00 52.55 52.72 1x5i s ASP 23 Cb -0.88 -2.31 -0.15 0.00 -0.30 0.00 0.00 42.92 39.27 1x5i s ASP 23 CO 0.55 -1.02 -0.05 1.21 -0.17 0.00 0.00 175.17 175.70 1x5i n GLU 24 N 6.41 1.09 -0.33 4.34 2.13 -1.26 -2.62 120.64 130.40 1x5i n GLU 24 Ca -0.07 0.05 0.33 0.00 0.66 0.00 0.00 57.16 58.13 1x5i n GLU 24 Cb 0.45 -1.37 0.51 0.00 0.27 0.00 0.00 31.44 31.29 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 -2.77 0.00 -4.17 6.31 5.66 -1.26 -4.27 114.28 113.78 1x5i n THR 25 Ca -0.28 1.25 -0.23 0.00 -3.05 0.00 0.00 64.05 61.74 1x5i n THR 25 Cb 0.92 -2.19 -0.05 0.00 -1.55 0.00 0.00 70.33 67.46 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 -4.42 2.70 0.15 1.09 1.70 -1.26 -4.95 118.95 113.96 1x5i s ARG 26 Ca -0.03 -1.15 -0.12 0.00 -0.47 0.00 0.00 55.73 53.96 1x5i s ARG 26 Cb 0.16 -2.44 -0.07 0.00 -0.57 0.00 0.00 34.95 32.04 1x5i s ARG 26 CO 0.55 0.40 0.50 0.14 -1.08 0.00 0.00 175.30 175.81 1x5i s VAL 27 N -2.14 4.95 -0.01 4.99 -7.23 -1.26 -4.82 120.40 114.88 1x5i s VAL 27 Ca 0.32 0.62 -0.30 0.00 -1.81 0.00 0.00 61.98 60.81 1x5i s VAL 27 Cb -0.08 -3.68 -0.05 0.00 0.56 0.00 0.00 36.38 33.13 1x5i s VAL 27 CO 0.23 0.18 1.46 -2.16 -0.31 0.00 0.00 175.10 174.50 1x5i s PRO 28 N -2.16 4.25 0.82 4.82 0.04 -1.26 -4.82 135.00 136.68 1x5i s PRO 28 Ca 0.39 2.02 -0.14 0.00 0.04 0.00 0.00 61.00 63.31 1x5i s PRO 28 Cb -0.14 -3.66 0.20 0.00 0.04 0.00 0.00 34.50 30.94 1x5i s PRO 28 CO 0.20 -0.65 0.94 0.39 0.04 0.00 0.00 177.00 177.92 1x5i n GLU 29 N 5.78 -1.65 -1.60 4.56 -0.58 -1.26 -2.79 120.64 123.10 1x5i n GLU 29 Ca 0.14 -1.47 -0.50 0.00 -0.42 0.00 0.00 57.16 54.91 1x5i n GLU 29 Cb 0.43 -1.12 -0.05 0.00 -0.57 0.00 0.00 31.44 30.13 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 -3.76 0.31 -1.15 2.62 3.14 -1.24 -4.55 118.33 113.71 1x5i n VAL 30 Ca 0.12 -0.08 -0.29 0.00 -2.96 0.00 0.00 64.34 61.14 1x5i n VAL 30 Cb 0.44 -0.91 0.19 0.00 -1.06 0.00 0.00 33.84 32.50 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 0.22 0.06 0.20 1.45 0.04 -1.26 -4.83 135.00 130.89 1x5i s PRO 31 Ca 0.80 0.39 -0.17 0.00 0.04 0.00 0.00 61.00 62.06 1x5i s PRO 31 Cb -0.89 -1.70 0.20 0.00 0.04 0.00 0.00 34.50 32.14 1x5i s PRO 31 CO 0.48 -2.95 1.60 0.66 0.04 0.00 0.00 177.00 176.82 1x5i h SER 32 N -2.05 -0.95 -1.47 6.66 4.64 -1.69 -3.47 113.55 115.22 1x5i h SER 32 Ca -0.54 0.22 0.18 0.00 -0.47 0.00 0.00 61.79 61.19 1x5i h SER 32 Cb 1.33 0.52 -0.03 0.00 -0.31 0.00 0.00 62.40 63.91 1x5i h SER 32 CO 0.54 -0.27 0.50 -0.24 -0.87 0.00 0.00 176.83 176.48 1x5i n SER 33 N -5.45 -0.82 -3.51 4.97 2.88 -1.26 -5.06 113.62 105.37 1x5i n SER 33 Ca 0.07 -1.26 -0.11 0.00 -1.33 0.00 0.00 58.87 56.23 1x5i n SER 33 Cb 0.36 1.29 -0.10 0.00 -0.75 0.00 0.00 64.21 65.01 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 -0.47 -0.03 2.46 2.96 -1.26 -3.39 118.68 118.95 1x5i s LEU 34 Ca 0.17 0.40 -0.07 0.00 -0.22 0.00 0.00 54.13 54.41 1x5i s LEU 34 Cb -0.01 0.95 -0.05 0.00 0.50 0.00 0.00 46.19 47.59 1x5i s LEU 34 CO 0.01 -0.28 0.24 -2.28 -1.32 0.00 0.00 176.35 172.72 1x5i s HIS 35 N 2.50 3.59 0.02 5.38 5.65 0.28 -4.95 115.29 127.76 1x5i s HIS 35 Ca 0.06 0.57 0.02 0.00 0.25 0.00 0.00 55.06 55.96 1x5i s HIS 35 Cb -0.14 -1.98 -0.01 0.00 -1.18 0.00 0.00 32.58 29.27 1x5i s HIS 35 CO -0.13 0.65 -0.07 0.14 -0.65 0.00 0.00 174.74 174.69 1x5i s VAL 36 N -1.22 0.48 -0.19 0.89 -7.23 -1.26 -0.20 120.40 111.66 1x5i s VAL 36 Ca 0.24 -0.69 -0.01 0.00 -1.81 0.00 0.00 61.98 59.71 1x5i s VAL 36 Cb -0.13 -0.49 0.05 0.00 0.56 0.00 0.00 36.38 36.37 1x5i s VAL 36 CO 0.13 -0.16 -0.02 -0.60 -0.31 0.00 0.00 175.10 174.15 1x5i s ARG 37 N -0.92 1.16 -0.04 4.82 3.00 0.44 -4.98 118.95 122.44 1x5i s ARG 37 Ca -0.05 -0.61 -0.30 0.00 -1.00 0.00 0.00 55.73 53.78 1x5i s ARG 37 Cb -0.06 -2.19 -0.05 0.00 0.00 0.00 0.00 34.95 32.64 1x5i s ARG 37 CO 0.00 -0.56 1.48 -1.25 0.00 0.00 0.00 175.30 174.97 1x5i s PRO 38 N 1.66 4.24 0.19 5.12 0.04 -1.26 -0.85 135.00 144.13 1x5i s PRO 38 Ca -0.02 2.02 0.10 0.00 0.04 0.00 0.00 61.00 63.14 1x5i s PRO 38 Cb -0.17 -3.73 -0.04 0.00 0.04 0.00 0.00 34.50 30.59 1x5i s PRO 38 CO -0.07 -0.69 -0.15 -0.51 0.04 0.00 0.00 177.00 175.61 1x5i s LEU 39 N 3.11 2.76 0.00 -3.56 1.02 0.15 -4.36 118.68 117.80 1x5i s LEU 39 Ca 0.66 -0.70 0.00 0.00 0.02 0.00 0.00 54.13 54.11 1x5i s LEU 39 Cb -0.31 -1.46 0.00 0.00 0.02 0.00 0.00 46.19 44.44 1x5i s LEU 39 CO 0.26 0.11 0.45 0.52 0.02 0.00 0.00 176.35 177.71 1x5i n VAL 40 N 0.10 0.00 -1.26 -1.59 0.31 -1.26 -2.09 118.33 112.53 1x5i n VAL 40 Ca -0.11 0.72 0.05 0.00 -0.01 0.00 0.00 64.34 65.00 1x5i n VAL 40 Cb 0.56 -1.00 0.20 0.00 -0.91 0.00 0.00 33.84 32.69 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 -1.90 2.21 -3.93 2.52 -2.24 -1.26 -3.84 114.28 105.84 1x5i n THR 41 Ca 0.00 -2.51 -0.11 0.00 -2.27 0.00 0.00 64.05 59.16 1x5i n THR 41 Cb 0.00 -0.26 -0.02 0.00 -2.10 0.00 0.00 70.33 67.95 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 -1.09 -1.18 -3.16 3.42 3.41 -0.89 -3.60 113.62 110.54 1x5i n SER 42 Ca 0.22 -2.51 0.03 0.00 -0.26 0.00 0.00 58.87 56.35 1x5i n SER 42 Cb 0.80 2.16 -0.01 0.00 -0.26 0.00 0.00 64.21 66.90 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 -2.70 -0.98 -0.43 -1.33 1.01 -0.58 0.33 121.20 116.52 1x5i s ILE 43 Ca 0.22 -0.01 -0.28 0.00 0.00 0.00 0.00 60.65 60.58 1x5i s ILE 43 Cb -0.01 -0.99 0.01 0.00 0.01 0.00 0.00 42.46 41.47 1x5i s ILE 43 CO 0.16 -0.01 1.49 -0.69 0.00 0.00 0.00 174.94 175.89 1x5i s VAL 44 N 2.84 3.80 -0.52 2.92 1.01 -0.03 -2.17 120.40 128.25 1x5i s VAL 44 Ca 0.19 0.79 -0.15 0.00 0.00 0.00 0.00 61.98 62.80 1x5i s VAL 44 Cb -0.14 -4.15 0.12 0.00 0.00 0.00 0.00 36.38 32.21 1x5i s VAL 44 CO -0.22 -0.78 0.47 -0.69 0.00 0.00 0.00 175.10 173.89 1x5i s VAL 45 N 5.88 5.12 -0.14 2.92 1.01 0.34 -0.42 120.40 135.12 1x5i s VAL 45 Ca 0.63 -1.46 -0.03 0.00 0.00 0.00 0.00 61.98 61.11 1x5i s VAL 45 Cb -0.14 -4.26 -0.03 0.00 0.00 0.00 0.00 36.38 31.95 1x5i s VAL 45 CO 0.31 -0.82 -0.03 -0.94 0.00 0.00 0.00 175.10 173.62 1x5i s SER 46 N 3.38 4.84 0.34 3.32 1.04 0.72 -0.08 113.70 127.27 1x5i s SER 46 Ca 0.03 -0.08 0.05 0.00 0.48 0.00 0.00 55.95 56.44 1x5i s SER 46 Cb -0.29 -1.68 -0.03 0.00 0.10 0.00 0.00 66.02 64.12 1x5i s SER 46 CO 0.03 0.21 0.22 -1.66 0.98 0.00 0.00 173.24 173.02 1x5i s TRP 47 N 0.09 1.71 0.05 5.02 -2.14 -0.23 0.99 118.94 124.43 1x5i s TRP 47 Ca -0.00 -1.52 -0.01 0.00 2.66 0.00 0.00 56.10 57.24 1x5i s TRP 47 Cb -0.13 -0.85 -0.04 0.00 -3.10 0.00 0.00 33.47 29.35 1x5i s TRP 47 CO 0.03 -0.66 -0.03 0.95 -2.66 0.00 0.00 176.95 174.57 1x5i s THR 48 N -3.43 0.22 0.72 0.66 -4.23 -1.22 -4.72 115.64 103.64 1x5i s THR 48 Ca 0.35 -1.63 -0.12 0.00 -1.18 0.00 0.00 61.69 59.11 1x5i s THR 48 Cb 0.03 -1.27 0.03 0.00 1.34 0.00 0.00 72.50 72.63 1x5i s THR 48 CO 0.22 -0.89 1.10 -2.16 -0.54 0.00 0.00 174.62 172.35 1x5i s PRO 49 N -3.41 2.49 0.18 3.99 0.04 -1.26 -4.02 135.00 133.01 1x5i s PRO 49 Ca 0.03 1.26 -0.30 0.00 0.04 0.00 0.00 61.00 62.03 1x5i s PRO 49 Cb 0.04 -1.92 -0.09 0.00 0.04 0.00 0.00 34.50 32.58 1x5i s PRO 49 CO -0.08 -1.48 1.31 -1.25 0.04 0.00 0.00 177.00 175.55 1x5i s PRO 50 N -4.56 4.38 0.46 0.56 0.04 -1.26 -3.56 135.00 131.07 1x5i s PRO 50 Ca 0.64 2.04 0.41 0.00 0.04 0.00 0.00 61.00 64.13 1x5i s PRO 50 Cb -0.19 -3.21 1.46 0.00 0.04 0.00 0.00 34.50 32.61 1x5i s PRO 50 CO 0.50 -0.27 1.35 0.39 0.04 0.00 0.00 177.00 179.01 1x5i n GLU 51 N 2.81 -0.01 -3.03 4.56 1.02 -1.26 -2.84 120.64 121.89 1x5i n GLU 51 Ca 0.07 0.97 -0.45 0.00 -0.02 0.00 0.00 57.16 57.73 1x5i n GLU 51 Cb 0.43 -2.17 -0.02 0.00 -0.02 0.00 0.00 31.44 29.67 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 -3.97 6.81 0.45 1.62 3.84 -1.26 -4.81 114.94 117.62 1x5i s ASN 52 Ca -0.05 -2.50 0.26 0.00 0.21 0.00 0.00 52.86 50.78 1x5i s ASN 52 Cb 0.24 -2.35 0.69 0.00 -0.55 0.00 0.00 41.25 39.28 1x5i s ASN 52 CO 0.76 -0.84 1.73 1.56 -2.79 0.00 0.00 177.10 177.52 1x5i h GLN 53 N 8.08 0.00 0.00 0.43 1.08 -1.93 -3.20 115.11 119.58 1x5i h GLN 53 Ca 0.19 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.39 1x5i h GLN 53 Cb 0.98 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.41 1x5i h GLN 53 CO 1.07 0.00 0.38 -0.91 -0.95 0.00 0.00 178.83 178.42 1x5i h ASN 54 N 0.00 0.00 -3.22 1.46 -0.26 -1.90 -3.40 115.58 108.26 1x5i h ASN 54 Ca 0.00 0.00 -0.57 0.00 -0.56 0.00 0.00 56.30 55.17 1x5i h ASN 54 Cb 0.82 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 38.04 1x5i h ASN 54 CO 0.00 0.00 -0.15 -0.63 -1.06 0.00 0.00 177.43 175.59 1x5i s ILE 55 N -3.67 4.95 0.18 2.81 1.01 -1.21 -0.48 121.20 124.78 1x5i s ILE 55 Ca -0.02 0.72 -0.27 0.00 0.00 0.00 0.00 60.65 61.08 1x5i s ILE 55 Cb 0.05 -3.71 -0.08 0.00 0.01 0.00 0.00 42.46 38.73 1x5i s ILE 55 CO 0.17 0.30 0.83 -0.69 0.00 0.00 0.00 174.94 175.55 1x5i s VAL 56 N -1.40 4.30 -0.10 2.92 1.01 -1.08 -4.90 120.40 121.16 1x5i s VAL 56 Ca 0.35 1.83 -0.01 0.00 0.00 0.00 0.00 61.98 64.15 1x5i s VAL 56 Cb -0.15 -4.20 0.03 0.00 0.00 0.00 0.00 36.38 32.06 1x5i s VAL 56 CO 0.18 0.50 -0.02 -0.69 0.00 0.00 0.00 175.10 175.08 1x5i s VAL 57 N -1.06 0.60 -0.98 2.92 1.01 -1.26 -4.62 120.40 117.01 1x5i s VAL 57 Ca 0.38 -0.10 0.28 0.00 0.00 0.00 0.00 61.98 62.54 1x5i s VAL 57 Cb -0.24 -0.76 0.19 0.00 0.00 0.00 0.00 36.38 35.56 1x5i s VAL 57 CO 0.28 0.23 1.79 0.54 0.00 0.00 0.00 175.10 177.94 1x5i n ARG 58 N 5.07 0.02 0.00 2.72 5.12 -0.97 -4.71 116.66 123.91 1x5i n ARG 58 Ca -0.09 0.01 0.00 0.00 -1.93 0.00 0.00 57.85 55.84 1x5i n ARG 58 Cb 0.50 -1.52 0.00 0.00 -1.16 0.00 0.00 32.46 30.28 1x5i n ARG 58 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1x5i n GLY 59 N 1.49 0.55 3.35 -0.13 0.00 -1.07 -4.09 105.19 105.29 1x5i n GLY 59 Ca 0.07 -1.55 -0.21 0.00 0.00 0.00 0.00 46.02 44.33 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 -1.67 1.83 -0.14 1.61 1.51 -1.06 -1.62 117.35 117.82 1x5i s TYR 60 Ca 0.00 -0.49 -0.01 0.00 -1.01 0.00 0.00 57.07 55.56 1x5i s TYR 60 Cb 0.00 -0.88 -0.02 0.00 -0.11 0.00 0.00 41.96 40.95 1x5i s TYR 60 CO 0.00 0.38 -0.11 0.00 -1.11 0.00 0.00 175.55 174.71 1x5i s ALA 61 N -2.38 2.70 -0.28 3.71 0.00 -0.67 -2.53 121.76 122.30 1x5i s ALA 61 Ca 0.19 -0.89 -0.05 0.00 0.00 0.00 0.00 51.96 51.21 1x5i s ALA 61 Cb -0.04 -1.30 0.02 0.00 0.00 0.00 0.00 23.12 21.80 1x5i s ALA 61 CO 0.07 0.20 0.03 0.42 0.00 0.00 0.00 175.76 176.49 1x5i s ILE 62 N 0.42 3.54 -0.21 0.00 1.01 -0.53 -2.59 121.20 122.83 1x5i s ILE 62 Ca -0.09 -0.88 -0.06 0.00 0.00 0.00 0.00 60.65 59.62 1x5i s ILE 62 Cb -0.15 -2.85 -0.03 0.00 0.01 0.00 0.00 42.46 39.44 1x5i s ILE 62 CO 0.05 0.08 0.03 -0.83 0.00 0.00 0.00 174.94 174.27 1x5i s GLY 63 N 1.42 1.76 0.11 6.18 0.00 0.78 -1.00 107.32 116.56 1x5i s GLY 63 Ca 0.01 -1.00 0.05 0.00 0.00 0.00 0.00 44.72 43.78 1x5i s GLY 63 CO 0.00 0.31 -0.12 -2.52 0.00 0.00 0.00 173.10 170.77 1x5i s TYR 64 N 1.11 1.23 0.00 1.90 1.13 -0.92 -0.05 117.35 121.75 1x5i s TYR 64 Ca 0.03 -0.59 0.00 0.00 -1.41 0.00 0.00 57.07 55.10 1x5i s TYR 64 Cb -0.14 -0.66 0.00 0.00 -1.10 0.00 0.00 41.96 40.06 1x5i s TYR 64 CO 0.02 0.07 0.00 0.41 -2.51 0.00 0.00 175.55 173.55 1x5i n GLY 65 N 0.62 3.01 3.55 5.49 0.00 -1.22 -1.53 105.19 115.12 1x5i n GLY 65 Ca -0.16 -0.34 -0.38 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.59 3.35 0.00 -0.61 1.01 -1.26 -2.47 121.20 119.63 1x5i s ILE 66 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.84 1x5i s ILE 66 Cb 0.00 -3.94 0.00 0.00 0.01 0.00 0.00 42.46 38.53 1x5i s ILE 66 CO 0.00 -0.91 0.00 0.61 0.00 0.00 0.00 174.94 174.64 1x5i n GLY 67 N 5.73 3.08 2.90 6.18 0.00 -1.26 -5.00 105.19 116.82 1x5i n GLY 67 Ca 0.21 -0.88 -0.19 0.00 0.00 0.00 0.00 46.02 45.15 1x5i n GLY 67 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x5i s SER 68 N 0.00 0.88 0.50 1.61 1.04 -1.19 -4.95 113.70 111.59 1x5i s SER 68 Ca 0.00 -0.12 0.32 0.00 0.48 0.00 0.00 55.95 56.63 1x5i s SER 68 Cb 0.00 -0.40 1.34 0.00 0.10 0.00 0.00 66.02 67.05 1x5i s SER 68 CO 0.00 -0.04 1.95 1.55 0.98 0.00 0.00 173.24 177.68 1x5i h PRO 69 N 7.04 0.00 0.00 4.02 0.13 -1.75 -2.67 132.00 138.77 1x5i h PRO 69 Ca -0.38 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.73 1x5i h PRO 69 Cb 1.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 1x5i h PRO 69 CO 0.48 0.00 -0.08 0.45 -0.23 0.00 0.00 178.00 178.61 1x5i h HIS 70 N 0.00 0.00 -0.97 1.56 3.86 -1.87 -2.44 115.15 115.30 1x5i h HIS 70 Ca 0.00 0.00 0.22 0.00 -1.16 0.00 0.00 60.37 59.43 1x5i h HIS 70 Cb 0.46 0.00 -0.18 0.00 1.06 0.00 0.00 27.41 28.75 1x5i h HIS 70 CO 0.00 0.08 -0.14 0.00 0.86 0.00 0.00 177.93 178.74 1x5i n ALA 71 N -2.15 0.34 -2.40 2.45 0.00 -1.01 -4.56 120.51 113.18 1x5i n ALA 71 Ca 0.00 1.05 -0.08 0.00 0.00 0.00 0.00 53.44 54.42 1x5i n ALA 71 Cb 0.35 -0.69 -0.10 0.00 0.00 0.00 0.00 19.45 19.02 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 -6.11 0.54 -0.01 0.00 1.11 -0.58 -5.02 119.66 109.58 1x5i s GLN 72 Ca -0.14 -1.01 -0.02 0.00 0.01 0.00 0.00 55.36 54.20 1x5i s GLN 72 Cb 0.27 0.19 0.00 0.00 -1.01 0.00 0.00 33.01 32.46 1x5i s GLN 72 CO 0.75 -0.10 0.05 0.99 0.01 0.00 0.00 175.29 176.99 1x5i s THR 73 N -3.16 0.03 -0.19 -0.19 2.01 -1.26 -2.19 115.64 110.70 1x5i s THR 73 Ca -0.00 -0.25 -0.04 0.00 0.31 0.00 0.00 61.69 61.70 1x5i s THR 73 Cb 0.02 -0.17 0.06 0.00 0.01 0.00 0.00 72.50 72.43 1x5i s THR 73 CO -0.07 -0.14 0.08 -0.63 -0.69 0.00 0.00 174.62 173.17 1x5i s ILE 74 N -0.42 0.07 -0.27 1.82 1.01 -0.17 -4.95 121.20 118.29 1x5i s ILE 74 Ca -0.05 -0.31 -0.14 0.00 0.00 0.00 0.00 60.65 60.15 1x5i s ILE 74 Cb -0.03 -0.72 -0.04 0.00 0.01 0.00 0.00 42.46 41.67 1x5i s ILE 74 CO 0.00 -0.30 0.31 -0.54 0.00 0.00 0.00 174.94 174.41 1x5i s LYS 75 N 2.06 4.01 0.18 2.79 1.02 -1.26 -1.45 119.74 127.09 1x5i s LYS 75 Ca 0.02 -0.07 0.08 0.00 0.02 0.00 0.00 55.97 56.01 1x5i s LYS 75 Cb -0.16 -3.65 -0.04 0.00 -0.52 0.00 0.00 37.83 33.46 1x5i s LYS 75 CO -0.11 -0.22 -0.16 0.14 -0.92 0.00 0.00 175.35 174.08 1x5i s VAL 76 N 1.90 1.69 0.98 3.17 -7.23 -1.05 -5.01 120.40 114.85 1x5i s VAL 76 Ca 0.12 -2.04 -0.14 0.00 -1.81 0.00 0.00 61.98 58.12 1x5i s VAL 76 Cb -0.16 -1.90 0.14 0.00 0.56 0.00 0.00 36.38 35.03 1x5i s VAL 76 CO 0.10 -0.48 0.22 -0.90 -0.31 0.00 0.00 175.10 173.73 1x5i n ASP 77 N -0.02 -2.91 -0.06 4.85 5.75 -1.26 -2.55 116.55 120.34 1x5i n ASP 77 Ca -0.11 -0.34 -0.14 0.00 -0.01 0.00 0.00 54.79 54.19 1x5i n ASP 77 Cb 0.59 -0.75 -0.13 0.00 -1.03 0.00 0.00 41.12 39.79 1x5i n ASP 77 CO 0.00 0.00 0.00 0.10 -0.11 0.00 0.00 177.20 177.19 1x5i h TYR 78 N -2.56 0.04 -1.86 2.11 -0.00 -1.84 -3.30 116.97 109.56 1x5i h TYR 78 Ca -0.25 -0.03 0.55 0.00 0.00 0.00 0.00 58.73 59.00 1x5i h TYR 78 Cb 0.78 -0.00 -0.09 0.00 0.00 0.00 0.00 36.73 37.42 1x5i h TYR 78 CO -2.68 1.00 1.32 1.63 -0.00 0.00 0.00 178.16 179.43 1x5i n LYS 79 N -4.59 -0.01 -1.73 0.10 4.76 -1.26 -4.35 118.16 111.09 1x5i n LYS 79 Ca -0.10 1.08 -0.42 0.00 -2.87 0.00 0.00 58.31 56.00 1x5i n LYS 79 Cb 0.49 -2.45 -0.03 0.00 -1.84 0.00 0.00 35.03 31.21 1x5i n LYS 79 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1x5i s GLN 80 N -4.87 4.14 -0.14 1.97 -1.52 -1.24 -4.87 119.66 113.13 1x5i s GLN 80 Ca -0.05 2.57 0.18 0.00 -1.95 0.00 0.00 55.36 56.11 1x5i s GLN 80 Cb 0.27 -3.71 -0.25 0.00 -0.22 0.00 0.00 33.01 29.10 1x5i s GLN 80 CO 0.86 -0.86 0.16 -2.13 -0.25 0.00 0.00 175.29 173.08 1x5i n ARG 81 N 6.05 0.86 -3.85 2.91 0.63 -1.26 -4.99 116.66 117.01 1x5i n ARG 81 Ca 0.18 -0.05 -0.10 0.00 -0.92 0.00 0.00 57.85 56.96 1x5i n ARG 81 Cb 0.39 -1.48 -0.05 0.00 0.45 0.00 0.00 32.46 31.77 1x5i n ARG 81 CO 0.00 0.00 0.00 1.52 -2.51 0.00 0.00 177.63 176.64 1x5i s TYR 82 N -2.69 0.14 -0.02 -0.14 1.13 -1.26 -1.06 117.35 113.45 1x5i s TYR 82 Ca -0.09 -0.49 -0.01 0.00 -1.41 0.00 0.00 57.07 55.07 1x5i s TYR 82 Cb 0.07 0.17 0.01 0.00 -1.10 0.00 0.00 41.96 41.11 1x5i s TYR 82 CO 0.78 -0.82 0.03 -0.47 -2.51 0.00 0.00 175.55 172.57 1x5i s TYR 83 N -3.92 -0.03 -0.63 -3.49 6.14 0.89 -4.97 117.35 111.34 1x5i s TYR 83 Ca 0.13 0.11 -0.17 0.00 0.64 0.00 0.00 57.07 57.78 1x5i s TYR 83 Cb 0.01 -0.04 0.14 0.00 0.42 0.00 0.00 41.96 42.50 1x5i s TYR 83 CO -0.01 -0.04 0.64 0.99 0.64 0.00 0.00 175.55 177.77 1x5i s THR 84 N 0.25 5.16 -0.19 4.34 2.01 -1.26 -0.50 115.64 125.45 1x5i s THR 84 Ca -0.02 -1.55 -0.29 0.00 0.31 0.00 0.00 61.69 60.13 1x5i s THR 84 Cb -0.03 -4.43 -0.02 0.00 0.01 0.00 0.00 72.50 68.03 1x5i s THR 84 CO -0.01 -1.01 1.36 -0.63 -0.69 0.00 0.00 174.62 173.64 1x5i s ILE 85 N 1.68 4.10 0.50 1.82 1.01 -0.92 -4.89 121.20 124.50 1x5i s ILE 85 Ca 0.10 1.31 0.05 0.00 0.00 0.00 0.00 60.65 62.10 1x5i s ILE 85 Cb -0.23 -3.93 -0.00 0.00 0.01 0.00 0.00 42.46 38.30 1x5i s ILE 85 CO 0.01 -0.22 0.22 -1.61 0.00 0.00 0.00 174.94 173.34 1x5i s GLU 86 N 3.84 2.23 -0.87 2.79 2.02 -1.26 -1.53 118.70 125.91 1x5i s GLU 86 Ca 0.59 -2.10 -0.01 0.00 0.02 0.00 0.00 54.97 53.47 1x5i s GLU 86 Cb -0.22 -1.89 -0.01 0.00 0.10 0.00 0.00 34.13 32.10 1x5i s GLU 86 CO 0.20 -0.41 0.73 0.09 0.02 0.00 0.00 175.26 175.89 1x5i n ASN 87 N -1.48 -2.95 -4.54 -0.19 3.02 -1.24 -5.00 115.26 102.88 1x5i n ASN 87 Ca -0.07 -0.48 -0.25 0.00 -0.03 0.00 0.00 54.58 53.75 1x5i n ASN 87 Cb 0.65 -3.99 -0.11 0.00 -0.61 0.00 0.00 39.78 35.72 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 -5.15 2.60 -0.21 3.41 1.43 -1.24 -5.10 118.68 114.43 1x5i s LEU 88 Ca 0.09 -1.34 -0.12 0.00 -1.03 0.00 0.00 54.13 51.73 1x5i s LEU 88 Cb -0.01 -0.71 -0.05 0.00 0.03 0.00 0.00 46.19 45.45 1x5i s LEU 88 CO 0.55 -0.47 0.22 -0.62 0.23 0.00 0.00 176.35 176.25 1x5i s ASP 89 N -3.60 6.24 0.50 2.29 2.15 -1.26 -4.80 116.67 118.19 1x5i s ASP 89 Ca 0.35 0.27 -0.21 0.00 0.43 0.00 0.00 52.55 53.39 1x5i s ASP 89 Cb 0.08 -2.14 -0.07 0.00 -0.30 0.00 0.00 42.92 40.50 1x5i s ASP 89 CO 0.17 0.07 1.15 -2.16 -0.17 0.00 0.00 175.17 174.23 1x5i s PRO 90 N 0.84 3.58 -0.81 4.34 0.04 -1.25 -3.74 135.00 138.01 1x5i s PRO 90 Ca 0.11 1.70 -0.03 0.00 0.04 0.00 0.00 61.00 62.82 1x5i s PRO 90 Cb -0.13 -2.22 0.00 0.00 0.04 0.00 0.00 34.50 32.19 1x5i s PRO 90 CO 0.03 -0.68 0.69 0.45 0.04 0.00 0.00 177.00 177.54 1x5i n SER 91 N -0.85 -3.41 -3.84 6.66 2.88 -1.17 -4.88 113.62 109.01 1x5i n SER 91 Ca 0.09 -0.37 -0.12 0.00 -1.33 0.00 0.00 58.87 57.14 1x5i n SER 91 Cb 0.49 -3.41 -0.12 0.00 -0.75 0.00 0.00 64.21 60.43 1x5i n SER 91 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x5i s SER 92 N -3.53 -0.09 0.04 -3.46 0.15 -1.25 -4.96 113.70 100.60 1x5i s SER 92 Ca 0.19 0.15 -0.26 0.00 0.70 0.00 0.00 55.95 56.72 1x5i s SER 92 Cb -0.08 0.25 -0.05 0.00 -1.71 0.00 0.00 66.02 64.43 1x5i s SER 92 CO 0.46 -0.12 0.81 -2.28 1.20 0.00 0.00 173.24 173.31 1x5i s HIS 93 N -0.27 3.73 0.03 3.44 5.65 -1.26 -1.98 115.29 124.62 1x5i s HIS 93 Ca -0.04 1.53 0.06 0.00 0.25 0.00 0.00 55.06 56.86 1x5i s HIS 93 Cb -0.03 -2.88 -0.02 0.00 -1.18 0.00 0.00 32.58 28.47 1x5i s HIS 93 CO 0.00 0.22 -0.18 0.71 -0.65 0.00 0.00 174.74 174.85 1x5i s TYR 94 N 0.12 1.57 -0.41 3.88 1.51 -0.85 -4.37 117.35 118.80 1x5i s TYR 94 Ca 0.41 -0.35 -0.08 0.00 -1.01 0.00 0.00 57.07 56.04 1x5i s TYR 94 Cb -0.21 -0.95 0.08 0.00 -0.11 0.00 0.00 41.96 40.77 1x5i s TYR 94 CO 0.24 0.05 0.24 0.08 -1.11 0.00 0.00 175.55 175.05 1x5i s VAL 95 N -0.72 4.12 -0.01 0.71 1.01 -1.03 -2.20 120.40 122.27 1x5i s VAL 95 Ca 0.05 -1.42 -0.15 0.00 0.00 0.00 0.00 61.98 60.46 1x5i s VAL 95 Cb -0.08 -3.52 -0.06 0.00 0.00 0.00 0.00 36.38 32.72 1x5i s VAL 95 CO 0.01 -0.49 0.41 -0.63 0.00 0.00 0.00 175.10 174.40 1x5i s ILE 96 N 1.40 5.04 -0.02 2.22 1.09 -1.20 -3.51 121.20 126.21 1x5i s ILE 96 Ca 0.03 0.85 0.01 0.00 -1.10 0.00 0.00 60.65 60.44 1x5i s ILE 96 Cb -0.23 -3.72 0.01 0.00 -1.06 0.00 0.00 42.46 37.46 1x5i s ILE 96 CO 0.02 0.56 -0.04 0.42 -0.10 0.00 0.00 174.94 175.80 1x5i s THR 97 N -0.94 0.40 -0.00 2.92 -4.23 0.93 -1.88 115.64 112.83 1x5i s THR 97 Ca 0.24 -0.11 0.06 0.00 -1.18 0.00 0.00 61.69 60.70 1x5i s THR 97 Cb -0.17 -0.41 -0.02 0.00 1.34 0.00 0.00 72.50 73.25 1x5i s THR 97 CO 0.13 0.16 -0.18 -0.22 -0.54 0.00 0.00 174.62 173.97 1x5i s LEU 98 N 0.52 2.06 -0.15 4.79 2.96 -1.26 -0.16 118.68 127.45 1x5i s LEU 98 Ca -0.06 -0.36 -0.14 0.00 -0.22 0.00 0.00 54.13 53.34 1x5i s LEU 98 Cb -0.09 -0.93 0.04 0.00 0.50 0.00 0.00 46.19 45.70 1x5i s LEU 98 CO -0.00 0.21 0.41 -1.59 -1.32 0.00 0.00 176.35 174.05 1x5i s LYS 99 N -0.57 0.48 0.03 1.98 -2.85 -1.07 -1.21 119.74 116.53 1x5i s LYS 99 Ca 0.07 0.55 -0.25 0.00 -1.00 0.00 0.00 55.97 55.34 1x5i s LYS 99 Cb -0.07 0.23 -0.05 0.00 -2.06 0.00 0.00 37.83 35.88 1x5i s LYS 99 CO -0.00 -0.06 0.78 0.00 0.10 0.00 0.00 175.35 176.17 1x5i s ALA 100 N 0.18 3.34 -0.00 0.59 0.00 -1.26 -1.67 121.76 122.95 1x5i s ALA 100 Ca -0.00 0.29 0.01 0.00 0.00 0.00 0.00 51.96 52.25 1x5i s ALA 100 Cb -0.03 -3.03 -0.00 0.00 0.00 0.00 0.00 23.12 20.06 1x5i s ALA 100 CO 0.01 0.01 -0.03 -0.59 0.00 0.00 0.00 175.76 175.16 1x5i s PHE 101 N 0.16 0.27 0.25 0.00 -0.71 -0.64 -2.31 117.98 115.01 1x5i s PHE 101 Ca 0.40 -0.06 0.01 0.00 -1.04 0.00 0.00 56.93 56.24 1x5i s PHE 101 Cb -0.20 -0.17 -0.01 0.00 -1.21 0.00 0.00 43.02 41.43 1x5i s PHE 101 CO 0.23 -0.01 0.05 0.27 -1.34 0.00 0.00 175.22 174.42 1x5i n ASN 102 N 2.96 1.81 0.31 1.98 6.94 0.68 -2.29 115.26 127.64 1x5i n ASN 102 Ca -0.13 -2.24 0.14 0.00 -0.02 0.00 0.00 54.58 52.34 1x5i n ASN 102 Cb 0.59 0.42 0.75 0.00 -2.36 0.00 0.00 39.78 39.18 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 0.82 0.00 0.01 0.53 -1.24 -1.91 -1.27 115.58 112.51 1x5i h ASN 103 Ca -0.20 0.00 -0.19 0.00 0.71 0.00 0.00 56.30 56.61 1x5i h ASN 103 Cb 0.70 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.72 1x5i h ASN 103 CO 0.33 0.00 -1.05 0.58 -1.29 0.00 0.00 177.43 176.00 1x5i h VAL 104 N 0.00 1.07 0.00 2.57 2.07 -1.89 -3.51 116.25 116.56 1x5i h VAL 104 Ca 0.00 -2.22 0.00 0.00 0.82 0.00 0.00 66.70 65.30 1x5i h VAL 104 Cb 0.63 2.46 0.00 0.00 -1.52 0.00 0.00 31.29 32.86 1x5i h VAL 104 CO 0.00 0.39 0.00 0.61 0.02 0.00 0.00 177.57 178.59 1x5i n GLY 105 N 1.49 -1.08 3.68 2.17 0.00 -0.48 -4.99 105.19 105.98 1x5i n GLY 105 Ca -0.28 -1.04 -0.23 0.00 0.00 0.00 0.00 46.02 44.47 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 -1.33 2.41 0.00 1.61 4.04 -1.26 -0.23 118.70 123.94 1x5i s GLU 106 Ca 0.00 -1.37 0.00 0.00 0.04 0.00 0.00 54.97 53.64 1x5i s GLU 106 Cb 0.00 -2.23 0.00 0.00 0.02 0.00 0.00 34.13 31.92 1x5i s GLU 106 CO 0.00 0.35 0.00 0.41 -1.84 0.00 0.00 175.26 174.18 1x5i n GLY 107 N -0.97 0.59 3.45 -3.83 0.00 -0.98 -4.88 105.19 98.58 1x5i n GLY 107 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 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 3.64 4.25 1.01 -0.61 -0.00 -1.26 -4.95 121.20 123.29 1x5i s ILE 108 Ca 0.00 -0.20 -0.13 0.00 -0.00 0.00 0.00 60.65 60.33 1x5i s ILE 108 Cb 0.00 -2.97 0.20 0.00 -0.00 0.00 0.00 42.46 39.69 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 1.42 0.30 0.54 0.37 0.04 -1.26 -3.64 135.00 132.77 1x5i s PRO 109 Ca 0.05 0.48 0.05 0.00 0.04 0.00 0.00 61.00 61.62 1x5i s PRO 109 Cb -0.15 -1.73 0.05 0.00 0.04 0.00 0.00 34.50 32.71 1x5i s PRO 109 CO 0.03 -2.81 0.39 1.28 0.04 0.00 0.00 177.00 175.93 1x5i n LEU 110 N -4.22 0.00 -3.76 -3.56 4.77 -0.35 -4.94 117.00 104.93 1x5i n LEU 110 Ca 0.05 -2.80 -0.19 0.00 -0.03 0.00 0.00 56.01 53.03 1x5i n LEU 110 Cb 0.57 -0.03 -0.17 0.00 -2.33 0.00 0.00 43.42 41.46 1x5i n LEU 110 CO 0.58 -0.58 -0.37 -0.31 -1.33 0.00 0.00 177.39 175.38 1x5i s TYR 111 N -2.67 0.32 0.26 -1.77 1.51 -1.26 -4.22 117.35 109.52 1x5i s TYR 111 Ca 0.30 0.03 0.02 0.00 -1.01 0.00 0.00 57.07 56.41 1x5i s TYR 111 Cb -0.02 -0.52 -0.04 0.00 -0.11 0.00 0.00 41.96 41.26 1x5i s TYR 111 CO 0.19 -0.19 0.15 -1.21 -1.11 0.00 0.00 175.55 173.37 1x5i s GLU 112 N 1.58 1.43 -0.02 -0.62 0.41 -0.79 -5.04 118.70 115.65 1x5i s GLU 112 Ca -0.02 -1.79 -0.02 0.00 -0.41 0.00 0.00 54.97 52.73 1x5i s GLU 112 Cb -0.13 0.04 0.00 0.00 -1.78 0.00 0.00 34.13 32.27 1x5i s GLU 112 CO -0.03 -0.42 0.05 -1.54 -0.49 0.00 0.00 175.26 172.84 1x5i s SER 113 N -3.28 -0.04 -0.21 -0.19 1.04 -1.26 -3.27 113.70 106.48 1x5i s SER 113 Ca 0.38 0.07 -0.04 0.00 0.48 0.00 0.00 55.95 56.85 1x5i s SER 113 Cb 0.06 0.11 0.11 0.00 0.10 0.00 0.00 66.02 66.40 1x5i s SER 113 CO 0.16 -0.04 0.32 0.00 0.98 0.00 0.00 173.24 174.66 1x5i s ALA 114 N -0.07 -0.77 -0.72 5.32 0.00 -0.94 -4.91 121.76 119.67 1x5i s ALA 114 Ca -0.01 0.75 -0.19 0.00 0.00 0.00 0.00 51.96 52.51 1x5i s ALA 114 Cb -0.01 -1.46 0.12 0.00 0.00 0.00 0.00 23.12 21.77 1x5i s ALA 114 CO 0.00 -1.13 0.87 0.08 0.00 0.00 0.00 175.76 175.57 1x5i s VAL 115 N 2.47 4.82 0.58 0.00 1.01 -1.26 -2.00 120.40 126.02 1x5i s VAL 115 Ca 0.08 -1.25 -0.16 0.00 0.00 0.00 0.00 61.98 60.65 1x5i s VAL 115 Cb -0.15 -4.60 -0.14 0.00 0.00 0.00 0.00 36.38 31.50 1x5i s VAL 115 CO -0.14 -1.27 -0.28 0.35 0.00 0.00 0.00 175.10 173.76 1x5i n THR 116 N 5.38 0.00 -2.75 3.92 -2.24 -0.84 -4.79 114.28 112.96 1x5i n THR 116 Ca 0.03 -0.46 -0.31 0.00 -2.27 0.00 0.00 64.05 61.05 1x5i n THR 116 Cb 0.45 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.65 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 -1.17 3.83 0.24 -0.78 0.52 -1.21 -3.35 118.95 117.04 1x5i s ARG 117 Ca 0.48 0.60 -0.30 0.00 -0.52 0.00 0.00 55.73 56.00 1x5i s ARG 117 Cb -0.37 -2.33 -0.09 0.00 0.52 0.00 0.00 34.95 32.68 1x5i s ARG 117 CO 0.64 -0.09 1.27 -1.25 0.02 0.00 0.00 175.30 175.90 1x5i s PRO 118 N -3.86 4.42 -0.22 3.54 0.04 -1.26 -3.04 135.00 134.63 1x5i s PRO 118 Ca 0.53 2.05 0.11 0.00 0.04 0.00 0.00 61.00 63.73 1x5i s PRO 118 Cb -0.10 -3.16 -0.21 0.00 0.04 0.00 0.00 34.50 31.07 1x5i s PRO 118 CO 0.30 -0.16 -0.05 1.58 0.04 0.00 0.00 177.00 178.71 1x5i n HIS 119 N 1.94 0.00 0.00 0.56 -0.00 -1.26 -4.80 115.22 111.66 1x5i n HIS 119 Ca 0.03 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.21 1x5i n HIS 119 Cb 0.43 -0.96 0.00 0.00 -0.12 0.00 0.00 29.99 29.34 1x5i n HIS 119 CO 0.00 0.00 0.00 2.41 0.46 0.00 0.00 176.34 179.21 1x5i n THR 120 N -2.93 0.00 -1.27 3.57 -1.04 -1.26 -4.97 114.28 106.37 1x5i n THR 120 Ca -0.37 0.49 -0.35 0.00 -2.04 0.00 0.00 64.05 61.77 1x5i n THR 120 Cb 1.07 -1.48 0.09 0.00 -1.82 0.00 0.00 70.33 68.18 1x5i n THR 120 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1x5i n SER 121 N -2.29 -0.14 0.00 8.00 2.88 -1.26 -4.84 113.62 115.98 1x5i n SER 121 Ca 0.00 0.62 0.00 0.00 -1.33 0.00 0.00 58.87 58.16 1x5i n SER 121 Cb 0.00 -1.35 0.00 0.00 -0.75 0.00 0.00 64.21 62.11 1x5i n SER 121 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5i n GLY 122 N 1.24 1.17 3.62 0.46 0.00 -1.26 -4.83 105.19 105.58 1x5i n GLY 122 Ca 0.12 -0.59 -0.29 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.02 -0.67 -0.28 1.61 0.04 -1.26 -4.86 135.00 129.57 1x5i s PRO 123 Ca 0.00 0.13 -0.35 0.00 0.04 0.00 0.00 61.00 60.82 1x5i s PRO 123 Cb 0.00 -1.64 -0.11 0.00 0.04 0.00 0.00 34.50 32.79 1x5i s PRO 123 CO 0.00 -3.38 2.10 0.43 0.04 0.00 0.00 177.00 176.19 1x5i n SER 124 N -4.56 2.53 -4.63 6.66 7.64 -1.26 -4.85 113.62 115.15 1x5i n SER 124 Ca 0.10 0.55 -0.45 0.00 1.01 0.00 0.00 58.87 60.08 1x5i n SER 124 Cb 0.59 -1.31 -0.02 0.00 -1.01 0.00 0.00 64.21 62.46 1x5i n SER 124 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1x5i n SER 125 N 9.09 1.91 0.00 6.43 3.41 -1.26 -5.35 113.62 127.84 1x5i n SER 125 Ca 0.35 1.17 0.00 0.00 -0.26 0.00 0.00 58.87 60.13 1x5i n SER 125 Cb 0.26 -1.34 0.00 0.00 -0.26 0.00 0.00 64.21 62.86 1x5i n SER 125 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49