#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 -0.15 0.29 1.61 1.04 -1.26 -5.19 113.70 110.04 1x5i s SER 2 Ca 0.00 -0.06 -0.19 0.00 0.48 0.00 0.00 55.95 56.19 1x5i s SER 2 Cb 0.00 0.21 0.02 0.00 0.10 0.00 0.00 66.02 66.35 1x5i s SER 2 CO 0.00 -0.35 0.69 -0.44 0.98 0.00 0.00 173.24 174.12 1x5i s SER 3 N -2.45 -0.17 -0.10 7.02 0.01 -1.26 -5.17 113.70 111.58 1x5i s SER 3 Ca 0.10 -0.75 0.04 0.00 1.31 0.00 0.00 55.95 56.65 1x5i s SER 3 Cb 0.00 0.73 -0.00 0.00 0.21 0.00 0.00 66.02 66.96 1x5i s SER 3 CO -0.05 -1.37 -0.24 -0.83 0.41 0.00 0.00 173.24 171.17 1x5i s GLY 4 N -2.96 1.31 -0.29 3.44 0.00 -1.26 -5.10 107.32 102.46 1x5i s GLY 4 Ca 0.14 -0.95 0.02 0.00 0.00 0.00 0.00 44.72 43.92 1x5i s GLY 4 CO 0.08 -0.33 0.00 -0.45 0.00 0.00 0.00 173.10 172.41 1x5i s SER 5 N 0.33 4.24 -0.28 1.64 0.15 -1.26 -5.07 113.70 113.44 1x5i s SER 5 Ca -0.18 -1.61 -0.01 0.00 0.70 0.00 0.00 55.95 54.86 1x5i s SER 5 Cb -0.18 -1.30 0.09 0.00 -1.71 0.00 0.00 66.02 62.93 1x5i s SER 5 CO 0.09 -0.31 0.07 -0.94 1.20 0.00 0.00 173.24 173.34 1x5i s SER 6 N 1.25 3.86 -0.12 5.45 1.04 -1.26 -5.10 113.70 118.82 1x5i s SER 6 Ca 0.02 -1.48 -0.01 0.00 0.48 0.00 0.00 55.95 54.97 1x5i s SER 6 Cb -0.19 -0.90 0.03 0.00 0.10 0.00 0.00 66.02 65.07 1x5i s SER 6 CO -0.10 -0.37 -0.04 -0.83 0.98 0.00 0.00 173.24 172.87 1x5i s GLY 7 N 1.59 0.76 0.00 7.32 0.00 -1.26 -4.99 107.32 110.74 1x5i s GLY 7 Ca 0.06 -0.53 0.16 0.00 0.00 0.00 0.00 44.72 44.41 1x5i s GLY 7 CO -0.19 1.00 1.35 -1.55 0.00 0.00 0.00 173.10 173.70 1x5i n PRO 8 N 4.99 0.49 -3.02 2.90 -0.04 -1.26 -4.42 135.00 134.64 1x5i n PRO 8 Ca -0.10 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 62.91 1x5i n PRO 8 Cb 0.49 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.43 1x5i n PRO 8 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x5i s ALA 9 N -2.00 3.65 -0.15 0.55 0.00 -1.26 -5.01 121.76 117.53 1x5i s ALA 9 Ca 0.24 -3.00 -0.19 0.00 0.00 0.00 0.00 51.96 49.00 1x5i s ALA 9 Cb 0.11 -3.95 -0.04 0.00 0.00 0.00 0.00 23.12 19.25 1x5i s ALA 9 CO 0.18 -2.79 0.52 0.99 0.00 0.00 0.00 175.76 174.66 1x5i s THR 10 N 1.90 5.13 0.30 0.00 2.01 -1.26 -4.96 115.64 118.75 1x5i s THR 10 Ca 0.31 1.00 -0.02 0.00 0.31 0.00 0.00 61.69 63.30 1x5i s THR 10 Cb -0.06 -3.85 0.43 0.00 0.01 0.00 0.00 72.50 69.04 1x5i s THR 10 CO -0.08 0.25 1.55 -0.67 -0.69 0.00 0.00 174.62 174.97 1x5i n ASP 11 N 4.23 -0.21 -3.96 3.53 2.03 -1.26 -3.11 116.55 117.80 1x5i n ASP 11 Ca -0.05 1.69 -0.30 0.00 0.52 0.00 0.00 54.79 56.64 1x5i n ASP 11 Cb 0.51 -0.57 -0.14 0.00 -0.72 0.00 0.00 41.12 40.19 1x5i n ASP 11 CO 0.00 0.00 0.00 0.26 -1.92 0.00 0.00 177.20 175.54 1x5i s TRP 12 N -6.10 3.27 0.63 -0.67 0.52 -1.26 -5.10 118.94 110.24 1x5i s TRP 12 Ca -0.14 -3.10 -0.17 0.00 0.02 0.00 0.00 56.10 52.71 1x5i s TRP 12 Cb 0.28 -2.80 -0.08 0.00 -1.15 0.00 0.00 33.47 29.71 1x5i s TRP 12 CO 0.77 -0.80 0.38 1.28 0.02 0.00 0.00 176.95 178.60 1x5i n LEU 13 N 3.43 -0.13 -1.80 2.99 4.32 -1.18 -4.81 117.00 119.81 1x5i n LEU 13 Ca 0.05 0.65 -0.11 0.00 -0.02 0.00 0.00 56.01 56.58 1x5i n LEU 13 Cb 0.35 -1.12 0.01 0.00 -1.62 0.00 0.00 43.42 41.03 1x5i n LEU 13 CO 0.30 -3.45 1.19 -1.54 -1.22 0.00 0.00 177.39 172.67 1x5i n SER 14 N 0.66 6.03 -4.95 -1.43 3.41 -1.26 -4.90 113.62 111.17 1x5i n SER 14 Ca 0.10 -2.82 -0.24 0.00 -0.26 0.00 0.00 58.87 55.65 1x5i n SER 14 Cb 0.49 -1.11 -0.02 0.00 -0.26 0.00 0.00 64.21 63.30 1x5i n SER 14 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x5i s ALA 15 N -1.04 3.91 0.45 7.33 0.00 -1.26 -5.13 121.76 126.01 1x5i s ALA 15 Ca 0.24 -1.09 0.04 0.00 0.00 0.00 0.00 51.96 51.15 1x5i s ALA 15 Cb 0.17 -1.82 -0.05 0.00 0.00 0.00 0.00 23.12 21.43 1x5i s ALA 15 CO -0.02 0.33 0.02 -1.21 0.00 0.00 0.00 175.76 174.88 1x5i s GLU 16 N -3.71 2.03 -0.05 0.00 2.02 -1.26 -5.15 118.70 112.58 1x5i s GLU 16 Ca 0.35 -2.22 -0.01 0.00 0.02 0.00 0.00 54.97 53.11 1x5i s GLU 16 Cb -0.10 -1.45 0.03 0.00 0.10 0.00 0.00 34.13 32.71 1x5i s GLU 16 CO 0.30 -0.23 0.04 0.95 0.02 0.00 0.00 175.26 176.34 1x5i s THR 17 N -2.87 0.06 -0.30 3.63 -4.23 -1.26 -5.12 115.64 105.55 1x5i s THR 17 Ca 0.22 0.29 -0.14 0.00 -1.18 0.00 0.00 61.69 60.89 1x5i s THR 17 Cb 0.06 -0.27 0.15 0.00 1.34 0.00 0.00 72.50 73.78 1x5i s THR 17 CO 0.11 0.19 0.88 0.72 -0.54 0.00 0.00 174.62 175.98 1x5i s PHE 18 N 1.93 -0.88 0.01 3.99 -0.71 -1.26 -4.06 117.98 117.00 1x5i s PHE 18 Ca 0.03 1.55 0.06 0.00 -1.04 0.00 0.00 56.93 57.52 1x5i s PHE 18 Cb -0.12 0.53 -0.03 0.00 -1.21 0.00 0.00 43.02 42.18 1x5i s PHE 18 CO -0.03 -0.44 -0.16 -2.00 -1.34 0.00 0.00 175.22 171.25 1x5i s GLU 19 N 2.42 2.25 -0.77 1.99 2.56 -1.26 -4.61 118.70 121.29 1x5i s GLU 19 Ca -0.05 -0.87 -0.04 0.00 0.00 0.00 0.00 54.97 54.01 1x5i s GLU 19 Cb -0.07 -2.28 0.03 0.00 2.00 0.00 0.00 34.13 33.81 1x5i s GLU 19 CO -0.18 0.57 0.15 -1.13 -0.56 0.00 0.00 175.26 174.11 1x5i n SER 20 N 1.76 -2.62 -2.45 -1.70 3.41 -1.26 -0.32 113.62 110.44 1x5i n SER 20 Ca -0.16 0.08 -0.10 0.00 -0.26 0.00 0.00 58.87 58.43 1x5i n SER 20 Cb 0.52 -2.27 0.05 0.00 -0.26 0.00 0.00 64.21 62.26 1x5i n SER 20 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1x5i n ASP 21 N -1.84 -2.41 -4.58 4.04 2.03 -1.26 -5.05 116.55 107.48 1x5i n ASP 21 Ca -0.04 -0.37 -0.27 0.00 0.52 0.00 0.00 54.79 54.62 1x5i n ASP 21 Cb 0.54 -3.25 -0.09 0.00 -0.72 0.00 0.00 41.12 37.60 1x5i n ASP 21 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1x5i s LEU 22 N -4.56 3.01 -0.33 -2.67 2.01 0.57 -4.92 118.68 111.78 1x5i s LEU 22 Ca 0.04 -0.55 -0.11 0.00 0.01 0.00 0.00 54.13 53.51 1x5i s LEU 22 Cb -0.00 -1.70 -0.01 0.00 0.01 0.00 0.00 46.19 44.49 1x5i s LEU 22 CO 0.43 0.10 0.20 -1.81 1.01 0.00 0.00 176.35 176.29 1x5i s ASP 23 N -2.82 5.81 -0.24 2.29 1.01 0.60 -4.14 116.67 119.19 1x5i s ASP 23 Ca 0.25 -0.55 0.16 0.00 0.71 0.00 0.00 52.55 53.12 1x5i s ASP 23 Cb -0.09 -2.07 0.47 0.00 1.01 0.00 0.00 42.92 42.24 1x5i s ASP 23 CO 0.15 -0.24 1.16 1.21 0.21 0.00 0.00 175.17 177.66 1x5i n GLU 24 N 5.05 2.32 -0.00 8.23 2.13 -1.26 -1.34 120.64 135.76 1x5i n GLU 24 Ca -0.13 -3.62 0.04 0.00 0.66 0.00 0.00 57.16 54.11 1x5i n GLU 24 Cb 0.49 -1.73 -0.07 0.00 0.27 0.00 0.00 31.44 30.40 1x5i n GLU 24 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1x5i n THR 25 N -0.59 0.01 -4.38 6.31 -2.24 -1.26 -4.67 114.28 107.46 1x5i n THR 25 Ca 0.23 -0.21 -0.20 0.00 -2.27 0.00 0.00 64.05 61.60 1x5i n THR 25 Cb 0.89 0.28 -0.10 0.00 -2.10 0.00 0.00 70.33 69.30 1x5i n THR 25 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x5i s ARG 26 N -2.61 1.43 0.35 -0.78 1.70 -1.26 -4.99 118.95 112.79 1x5i s ARG 26 Ca -0.03 -1.66 -0.22 0.00 -0.47 0.00 0.00 55.73 53.34 1x5i s ARG 26 Cb 0.06 -1.22 -0.10 0.00 -0.57 0.00 0.00 34.95 33.11 1x5i s ARG 26 CO 0.37 0.17 0.90 0.14 -1.08 0.00 0.00 175.30 175.80 1x5i s VAL 27 N -2.91 4.36 -0.53 4.99 -7.23 -1.26 -4.77 120.40 113.04 1x5i s VAL 27 Ca 0.25 1.56 -0.27 0.00 -1.81 0.00 0.00 61.98 61.71 1x5i s VAL 27 Cb -0.00 -3.81 -0.02 0.00 0.56 0.00 0.00 36.38 33.11 1x5i s VAL 27 CO 0.09 -0.05 1.82 -2.16 -0.31 0.00 0.00 175.10 174.49 1x5i s PRO 28 N -2.55 2.85 1.11 4.82 0.04 -1.26 -4.85 135.00 135.17 1x5i s PRO 28 Ca 0.54 0.81 -0.15 0.00 0.04 0.00 0.00 61.00 62.25 1x5i s PRO 28 Cb -0.14 -4.32 0.19 0.00 0.04 0.00 0.00 34.50 30.27 1x5i s PRO 28 CO 0.19 -2.46 0.61 -0.85 0.04 0.00 0.00 177.00 174.53 1x5i n GLU 29 N 8.94 -1.78 -1.01 4.56 0.28 -1.26 -3.90 120.64 126.47 1x5i n GLU 29 Ca 0.21 -0.49 -0.36 0.00 -0.16 0.00 0.00 57.16 56.36 1x5i n GLU 29 Cb 0.51 -1.99 -0.03 0.00 1.43 0.00 0.00 31.44 31.36 1x5i n GLU 29 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 177.13 178.52 1x5i n VAL 30 N -4.59 1.08 -1.16 3.84 3.14 -1.26 -4.75 118.33 114.62 1x5i n VAL 30 Ca 0.03 -0.27 -0.29 0.00 -2.96 0.00 0.00 64.34 60.86 1x5i n VAL 30 Cb 0.57 0.00 0.18 0.00 -1.06 0.00 0.00 33.84 33.53 1x5i n VAL 30 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1x5i s PRO 31 N -0.54 0.24 0.25 1.45 0.04 -1.26 -4.88 135.00 130.29 1x5i s PRO 31 Ca 0.50 0.46 -0.06 0.00 0.04 0.00 0.00 61.00 61.93 1x5i s PRO 31 Cb -0.71 -1.72 0.46 0.00 0.04 0.00 0.00 34.50 32.57 1x5i s PRO 31 CO 0.40 -2.85 1.64 1.03 0.04 0.00 0.00 177.00 177.26 1x5i h SER 32 N -1.97 -0.28 -5.72 6.66 0.87 -1.67 -3.46 113.55 107.97 1x5i h SER 32 Ca -0.55 0.19 0.30 0.00 -1.23 0.00 0.00 61.79 60.50 1x5i h SER 32 Cb 1.33 0.32 -0.09 0.00 -0.44 0.00 0.00 62.40 63.53 1x5i h SER 32 CO 0.57 -0.16 0.80 -0.55 -0.53 0.00 0.00 176.83 176.96 1x5i s SER 33 N -5.19 -0.03 -0.21 6.23 0.15 -1.26 -5.05 113.70 108.34 1x5i s SER 33 Ca -0.13 -0.25 -0.04 0.00 0.70 0.00 0.00 55.95 56.23 1x5i s SER 33 Cb 0.22 0.22 0.11 0.00 -1.71 0.00 0.00 66.02 64.86 1x5i s SER 33 CO 0.75 -0.42 0.32 -0.22 1.20 0.00 0.00 173.24 174.87 1x5i s LEU 34 N -3.34 -0.42 0.03 3.45 2.96 -1.26 -3.00 118.68 117.09 1x5i s LEU 34 Ca 0.21 0.19 0.00 0.00 -0.22 0.00 0.00 54.13 54.32 1x5i s LEU 34 Cb 0.02 0.84 -0.04 0.00 0.50 0.00 0.00 46.19 47.51 1x5i s LEU 34 CO -0.01 -0.29 0.12 -2.28 -1.32 0.00 0.00 176.35 172.56 1x5i s HIS 35 N 2.46 3.34 0.02 5.38 5.65 -0.04 -4.96 115.29 127.14 1x5i s HIS 35 Ca 0.08 0.20 0.03 0.00 0.25 0.00 0.00 55.06 55.61 1x5i s HIS 35 Cb -0.15 -1.72 -0.02 0.00 -1.18 0.00 0.00 32.58 29.52 1x5i s HIS 35 CO -0.13 0.56 -0.08 0.14 -0.65 0.00 0.00 174.74 174.58 1x5i s VAL 36 N -1.33 0.62 -0.22 0.89 -7.23 -1.26 -1.38 120.40 110.48 1x5i s VAL 36 Ca 0.28 -0.74 -0.01 0.00 -1.81 0.00 0.00 61.98 59.70 1x5i s VAL 36 Cb -0.12 -0.60 0.06 0.00 0.56 0.00 0.00 36.38 36.28 1x5i s VAL 36 CO 0.20 -0.11 -0.01 -0.60 -0.31 0.00 0.00 175.10 174.27 1x5i s ARG 37 N -0.93 1.15 0.05 4.82 3.52 -0.25 -4.98 118.95 122.34 1x5i s ARG 37 Ca -0.03 -0.73 -0.31 0.00 -0.13 0.00 0.00 55.73 54.54 1x5i s ARG 37 Cb -0.07 -2.36 -0.07 0.00 -1.56 0.00 0.00 34.95 30.90 1x5i s ARG 37 CO 0.00 -0.63 1.40 -1.25 -0.81 0.00 0.00 175.30 174.02 1x5i s PRO 38 N 1.61 4.30 0.19 5.12 0.04 -1.26 -1.03 135.00 143.97 1x5i s PRO 38 Ca -0.03 2.03 0.11 0.00 0.04 0.00 0.00 61.00 63.14 1x5i s PRO 38 Cb -0.18 -3.43 -0.04 0.00 0.04 0.00 0.00 34.50 30.88 1x5i s PRO 38 CO -0.07 -0.51 -0.19 -0.51 0.04 0.00 0.00 177.00 175.75 1x5i s LEU 39 N 1.82 2.61 0.00 -3.56 1.02 0.11 -4.51 118.68 116.18 1x5i s LEU 39 Ca 0.65 -0.78 0.00 0.00 0.02 0.00 0.00 54.13 54.02 1x5i s LEU 39 Cb -0.34 -1.33 0.00 0.00 0.02 0.00 0.00 46.19 44.54 1x5i s LEU 39 CO 0.29 0.11 0.41 0.52 0.02 0.00 0.00 176.35 177.70 1x5i n VAL 40 N 0.17 0.00 -1.36 -1.59 0.31 -1.26 -2.16 118.33 112.43 1x5i n VAL 40 Ca -0.12 0.67 0.04 0.00 -0.01 0.00 0.00 64.34 64.93 1x5i n VAL 40 Cb 0.56 -0.94 0.20 0.00 -0.91 0.00 0.00 33.84 32.75 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 -1.70 2.26 -3.88 2.52 -2.24 -1.26 -3.88 114.28 106.11 1x5i n THR 41 Ca 0.00 -2.71 -0.11 0.00 -2.27 0.00 0.00 64.05 58.96 1x5i n THR 41 Cb 0.00 -0.27 -0.01 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 -1.11 -1.30 -3.61 3.42 3.41 -0.92 -2.99 113.62 110.52 1x5i n SER 42 Ca 0.23 -2.47 -0.03 0.00 -0.26 0.00 0.00 58.87 56.34 1x5i n SER 42 Cb 0.82 2.33 -0.06 0.00 -0.26 0.00 0.00 64.21 67.04 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 -2.62 -0.87 -0.54 -1.33 1.01 -0.54 0.07 121.20 116.36 1x5i s ILE 43 Ca 0.21 0.05 -0.22 0.00 0.00 0.00 0.00 60.65 60.69 1x5i s ILE 43 Cb -0.02 -0.89 0.05 0.00 0.01 0.00 0.00 42.46 41.62 1x5i s ILE 43 CO 0.15 0.02 0.83 -0.69 0.00 0.00 0.00 174.94 175.25 1x5i s VAL 44 N 2.79 4.55 -0.51 2.92 1.01 -0.20 -1.05 120.40 129.91 1x5i s VAL 44 Ca -0.02 -0.03 -0.17 0.00 0.00 0.00 0.00 61.98 61.76 1x5i s VAL 44 Cb -0.12 -4.46 0.09 0.00 0.00 0.00 0.00 36.38 31.88 1x5i s VAL 44 CO -0.17 -1.03 0.52 -0.69 0.00 0.00 0.00 175.10 173.73 1x5i s VAL 45 N 3.49 5.09 -0.19 2.92 1.01 0.57 -1.09 120.40 132.20 1x5i s VAL 45 Ca 0.25 -1.03 -0.05 0.00 0.00 0.00 0.00 61.98 61.14 1x5i s VAL 45 Cb -0.15 -4.27 -0.03 0.00 0.00 0.00 0.00 36.38 31.93 1x5i s VAL 45 CO 0.16 -0.78 0.01 -0.55 0.00 0.00 0.00 175.10 173.94 1x5i s SER 46 N 3.01 5.03 0.32 3.32 0.15 -0.48 -0.54 113.70 124.51 1x5i s SER 46 Ca 0.07 -0.12 0.05 0.00 0.70 0.00 0.00 55.95 56.66 1x5i s SER 46 Cb -0.25 -1.85 -0.06 0.00 -1.71 0.00 0.00 66.02 62.15 1x5i s SER 46 CO 0.07 0.11 0.02 -1.66 1.20 0.00 0.00 173.24 172.98 1x5i s TRP 47 N 0.72 2.05 0.10 3.44 -2.14 -0.83 -0.86 118.94 121.42 1x5i s TRP 47 Ca 0.01 -0.84 0.06 0.00 2.66 0.00 0.00 56.10 57.98 1x5i s TRP 47 Cb -0.14 -1.31 -0.03 0.00 -3.10 0.00 0.00 33.47 28.88 1x5i s TRP 47 CO 0.02 0.16 -0.14 0.95 -2.66 0.00 0.00 176.95 175.27 1x5i s THR 48 N -3.12 1.24 0.69 0.66 -4.23 -1.16 -4.76 115.64 104.96 1x5i s THR 48 Ca 0.34 -1.53 -0.14 0.00 -1.18 0.00 0.00 61.69 59.19 1x5i s THR 48 Cb 0.08 -1.33 0.02 0.00 1.34 0.00 0.00 72.50 72.60 1x5i s THR 48 CO 0.15 -0.32 1.10 -2.16 -0.54 0.00 0.00 174.62 172.85 1x5i s PRO 49 N -2.24 2.64 0.01 3.99 0.04 -1.26 -3.87 135.00 134.31 1x5i s PRO 49 Ca 0.04 1.32 -0.30 0.00 0.04 0.00 0.00 61.00 62.10 1x5i s PRO 49 Cb -0.07 -1.93 -0.06 0.00 0.04 0.00 0.00 34.50 32.47 1x5i s PRO 49 CO 0.03 -1.37 1.44 -1.25 0.04 0.00 0.00 177.00 175.89 1x5i s PRO 50 N -4.34 4.27 0.35 0.56 0.04 -1.26 -3.66 135.00 130.95 1x5i s PRO 50 Ca 0.65 2.02 0.22 0.00 0.04 0.00 0.00 61.00 63.93 1x5i s PRO 50 Cb -0.19 -3.58 1.22 0.00 0.04 0.00 0.00 34.50 31.99 1x5i s PRO 50 CO 0.46 -0.60 1.37 -0.85 0.04 0.00 0.00 177.00 177.42 1x5i n GLU 51 N 5.43 -0.04 -2.47 4.56 0.28 -1.26 -3.16 120.64 123.97 1x5i n GLU 51 Ca 0.14 1.16 -0.39 0.00 -0.16 0.00 0.00 57.16 57.91 1x5i n GLU 51 Cb 0.43 -2.16 -0.03 0.00 1.43 0.00 0.00 31.44 31.12 1x5i n GLU 51 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 1x5i s ASN 52 N -4.48 6.35 0.28 -1.84 3.84 -1.26 -4.79 114.94 113.04 1x5i s ASN 52 Ca -0.07 -1.70 -0.00 0.00 0.21 0.00 0.00 52.86 51.30 1x5i s ASN 52 Cb 0.29 -2.57 0.41 0.00 -0.55 0.00 0.00 41.25 38.82 1x5i s ASN 52 CO 0.69 -1.66 1.80 1.56 -2.79 0.00 0.00 177.10 176.71 1x5i h GLN 53 N 9.25 0.74 -0.97 0.43 1.08 -1.96 -2.93 115.11 120.75 1x5i h GLN 53 Ca 0.27 -0.18 0.39 0.00 -1.45 0.00 0.00 58.65 57.68 1x5i h GLN 53 Cb 0.96 -0.10 -0.16 0.00 -0.05 0.00 0.00 27.48 28.13 1x5i h GLN 53 CO 1.40 0.73 0.55 0.09 -0.95 0.00 0.00 178.83 180.65 1x5i n ASN 54 N -4.24 0.30 -4.70 1.46 4.13 -1.26 -4.23 115.26 106.71 1x5i n ASN 54 Ca 0.03 1.47 -0.42 0.00 1.68 0.00 0.00 54.58 57.33 1x5i n ASN 54 Cb 0.27 -0.72 -0.03 0.00 -1.54 0.00 0.00 39.78 37.76 1x5i n ASN 54 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1x5i s ILE 55 N -5.33 3.40 -0.38 2.41 1.01 -1.11 -0.29 121.20 120.91 1x5i s ILE 55 Ca -0.08 0.88 -0.28 0.00 0.00 0.00 0.00 60.65 61.17 1x5i s ILE 55 Cb 0.30 -3.57 -0.01 0.00 0.01 0.00 0.00 42.46 39.20 1x5i s ILE 55 CO 0.72 0.02 1.70 -0.69 0.00 0.00 0.00 174.94 176.69 1x5i s VAL 56 N 2.06 3.57 -0.41 2.92 1.01 -0.45 -4.90 120.40 124.21 1x5i s VAL 56 Ca 0.67 0.56 -0.09 0.00 0.00 0.00 0.00 61.98 63.12 1x5i s VAL 56 Cb -0.35 -3.82 0.07 0.00 0.00 0.00 0.00 36.38 32.28 1x5i s VAL 56 CO 0.29 -0.55 0.25 -0.69 0.00 0.00 0.00 175.10 174.39 1x5i s VAL 57 N 6.71 4.29 0.06 2.92 1.01 -1.26 -4.65 120.40 129.48 1x5i s VAL 57 Ca 0.74 -1.30 -0.10 0.00 0.00 0.00 0.00 61.98 61.32 1x5i s VAL 57 Cb -0.19 -3.58 -0.30 0.00 0.00 0.00 0.00 36.38 32.31 1x5i s VAL 57 CO 0.32 -0.45 1.10 0.03 0.00 0.00 0.00 175.10 176.10 1x5i h ARG 58 N 8.41 0.46 0.00 2.72 2.47 -1.90 -3.46 114.38 123.09 1x5i h ARG 58 Ca -0.23 -0.70 0.11 0.00 -1.26 0.00 0.00 59.98 57.89 1x5i h ARG 58 Cb 1.09 0.25 -0.02 0.00 -1.65 0.00 0.00 29.97 29.64 1x5i h ARG 58 CO 0.74 1.32 0.27 0.41 0.56 0.00 0.00 179.97 183.27 1x5i n GLY 59 N 1.50 0.44 3.38 0.04 0.00 -1.13 -2.96 105.19 106.45 1x5i n GLY 59 Ca -0.12 -0.88 -0.20 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.50 1.67 -0.13 1.61 1.51 -1.22 -1.00 117.35 117.29 1x5i s TYR 60 Ca 0.09 -1.28 -0.01 0.00 -1.01 0.00 0.00 57.07 54.85 1x5i s TYR 60 Cb -0.00 -0.97 0.04 0.00 -0.11 0.00 0.00 41.96 40.92 1x5i s TYR 60 CO -0.00 -0.40 -0.03 0.00 -1.11 0.00 0.00 175.55 174.01 1x5i s ALA 61 N -3.51 1.15 -0.05 3.71 0.00 0.02 -3.52 121.76 119.56 1x5i s ALA 61 Ca 0.34 -0.55 -0.12 0.00 0.00 0.00 0.00 51.96 51.62 1x5i s ALA 61 Cb 0.05 -0.98 -0.05 0.00 0.00 0.00 0.00 23.12 22.14 1x5i s ALA 61 CO 0.16 -0.69 0.32 0.42 0.00 0.00 0.00 175.76 175.98 1x5i s ILE 62 N 1.78 5.20 -0.04 0.00 1.01 -0.28 -2.01 121.20 126.86 1x5i s ILE 62 Ca 0.02 0.63 0.03 0.00 0.00 0.00 0.00 60.65 61.33 1x5i s ILE 62 Cb -0.14 -3.61 0.01 0.00 0.01 0.00 0.00 42.46 38.72 1x5i s ILE 62 CO -0.07 0.57 -0.11 -0.83 0.00 0.00 0.00 174.94 174.50 1x5i s GLY 63 N -0.91 0.64 0.23 6.18 0.00 -0.62 0.05 107.32 112.89 1x5i s GLY 63 Ca 0.21 -0.38 -0.02 0.00 0.00 0.00 0.00 44.72 44.53 1x5i s GLY 63 CO 0.10 -0.04 0.22 -2.52 0.00 0.00 0.00 173.10 170.85 1x5i s TYR 64 N 0.32 1.12 0.00 1.90 1.13 -0.89 0.52 117.35 121.45 1x5i s TYR 64 Ca -0.06 -1.32 0.00 0.00 -1.41 0.00 0.00 57.07 54.28 1x5i s TYR 64 Cb -0.11 -0.45 0.00 0.00 -1.10 0.00 0.00 41.96 40.30 1x5i s TYR 64 CO 0.01 -0.74 0.00 0.41 -2.51 0.00 0.00 175.55 172.72 1x5i n GLY 65 N -0.34 3.92 3.45 5.49 0.00 -1.21 -2.20 105.19 114.29 1x5i n GLY 65 Ca 0.02 -0.49 -0.47 0.00 0.00 0.00 0.00 46.02 45.08 1x5i n GLY 65 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1x5i n ILE 66 N 0.00 0.07 0.00 -0.61 5.41 -1.26 -1.18 119.36 121.79 1x5i n ILE 66 Ca 0.00 -0.26 0.00 0.00 1.00 0.00 0.00 62.75 63.49 1x5i n ILE 66 Cb 0.00 -1.44 0.00 0.00 -0.71 0.00 0.00 39.64 37.49 1x5i n ILE 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1x5i n GLY 67 N 6.56 2.93 3.03 7.39 0.00 -1.25 -4.98 105.19 118.87 1x5i n GLY 67 Ca 0.48 -0.76 -0.12 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.06 0.14 1.61 0.01 -0.32 -4.83 113.70 110.24 1x5i s SER 68 Ca 0.00 0.07 -0.11 0.00 1.31 0.00 0.00 55.95 57.22 1x5i s SER 68 Cb 0.00 0.24 -0.04 0.00 0.21 0.00 0.00 66.02 66.42 1x5i s SER 68 CO 0.00 -0.16 1.48 1.55 0.41 0.00 0.00 173.24 176.52 1x5i h PRO 69 N 5.37 0.94 -1.18 12.44 0.13 -1.71 -3.17 132.00 144.82 1x5i h PRO 69 Ca -0.27 -0.50 0.41 0.00 -0.87 0.00 0.00 66.00 64.77 1x5i h PRO 69 Cb 1.20 0.02 -0.12 0.00 0.13 0.00 0.00 31.00 32.23 1x5i h PRO 69 CO 0.42 1.15 0.75 -2.39 -0.23 0.00 0.00 178.00 177.71 1x5i n HIS 70 N -4.06 0.60 -0.35 1.56 1.44 -1.26 -0.04 115.22 113.10 1x5i n HIS 70 Ca -0.02 0.60 0.05 0.00 -2.01 0.00 0.00 57.72 56.34 1x5i n HIS 70 Cb 0.54 -1.02 0.13 0.00 0.12 0.00 0.00 29.99 29.76 1x5i n HIS 70 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1x5i n ALA 71 N -2.54 0.19 -2.86 1.59 0.00 -1.20 -4.56 120.51 111.13 1x5i n ALA 71 Ca 0.34 1.06 -0.10 0.00 0.00 0.00 0.00 53.44 54.75 1x5i n ALA 71 Cb 1.34 -0.62 -0.10 0.00 0.00 0.00 0.00 19.45 20.06 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 -6.20 0.47 -0.06 0.00 1.11 0.95 -5.04 119.66 110.88 1x5i s GLN 72 Ca -0.15 -0.65 -0.02 0.00 0.01 0.00 0.00 55.36 54.55 1x5i s GLN 72 Cb 0.26 0.18 0.04 0.00 -1.01 0.00 0.00 33.01 32.48 1x5i s GLN 72 CO 0.76 -0.10 0.12 0.99 0.01 0.00 0.00 175.29 177.06 1x5i s THR 73 N -1.99 -0.10 -0.20 -0.19 2.01 -1.26 -2.09 115.64 111.81 1x5i s THR 73 Ca -0.10 0.24 -0.00 0.00 0.31 0.00 0.00 61.69 62.14 1x5i s THR 73 Cb -0.05 -0.22 0.01 0.00 0.01 0.00 0.00 72.50 72.25 1x5i s THR 73 CO -0.02 0.10 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.23 1x5i s ILE 74 N 1.48 2.46 -0.17 1.82 1.01 0.11 -4.95 121.20 122.95 1x5i s ILE 74 Ca -0.05 -0.85 -0.07 0.00 0.00 0.00 0.00 60.65 59.68 1x5i s ILE 74 Cb -0.12 -2.09 -0.04 0.00 0.01 0.00 0.00 42.46 40.22 1x5i s ILE 74 CO -0.05 0.47 0.08 -0.54 0.00 0.00 0.00 174.94 174.90 1x5i s LYS 75 N 1.34 3.83 0.04 2.79 1.02 -1.26 -1.13 119.74 126.37 1x5i s LYS 75 Ca 0.05 -0.29 0.01 0.00 0.02 0.00 0.00 55.97 55.76 1x5i s LYS 75 Cb -0.14 -3.21 -0.02 0.00 -0.52 0.00 0.00 37.83 33.94 1x5i s LYS 75 CO -0.10 0.41 -0.06 0.14 -0.92 0.00 0.00 175.35 174.82 1x5i s VAL 76 N 0.01 0.41 0.98 3.17 -7.23 -1.23 -5.04 120.40 111.47 1x5i s VAL 76 Ca 0.07 -1.06 -0.14 0.00 -1.81 0.00 0.00 61.98 59.04 1x5i s VAL 76 Cb -0.12 -0.54 0.06 0.00 0.56 0.00 0.00 36.38 36.34 1x5i s VAL 76 CO 0.00 -0.44 0.41 -0.90 -0.31 0.00 0.00 175.10 173.86 1x5i n ASP 77 N 1.45 -1.95 -0.14 4.85 5.68 -1.26 -3.42 116.55 121.75 1x5i n ASP 77 Ca -0.23 0.24 -0.07 0.00 -0.50 0.00 0.00 54.79 54.24 1x5i n ASP 77 Cb 0.55 -1.18 0.02 0.00 -1.14 0.00 0.00 41.12 39.36 1x5i n ASP 77 CO 0.00 0.00 0.00 0.10 -1.33 0.00 0.00 177.20 175.97 1x5i h TYR 78 N -1.71 0.49 -0.99 2.11 -0.00 -1.86 -2.55 116.97 112.46 1x5i h TYR 78 Ca -0.46 0.01 0.32 0.00 -0.00 0.00 0.00 58.73 58.60 1x5i h TYR 78 Cb 1.30 -0.16 -0.18 0.00 -0.00 0.00 0.00 36.73 37.68 1x5i h TYR 78 CO 0.35 0.29 0.19 0.87 -0.00 0.00 0.00 178.16 179.86 1x5i h LYS 79 N 0.53 0.01 -6.13 0.10 1.57 -1.90 -3.38 116.57 107.38 1x5i h LYS 79 Ca 0.17 -0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.33 1x5i h LYS 79 Cb -0.00 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1x5i h LYS 79 CO -0.07 0.01 1.29 1.04 -0.57 0.00 0.00 179.45 181.15 1x5i n GLN 80 N -5.41 1.86 0.06 3.15 1.13 -0.96 -4.84 117.38 112.36 1x5i n GLN 80 Ca 0.28 0.61 -0.19 0.00 -1.94 0.00 0.00 57.00 55.76 1x5i n GLN 80 Cb 0.92 -2.76 -0.14 0.00 0.11 0.00 0.00 30.24 28.36 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 11.61 0.29 -4.15 -1.09 2.43 -1.88 -3.48 114.38 118.10 1x5i h ARG 81 Ca -0.41 -0.49 -0.15 0.00 -0.81 0.00 0.00 59.98 58.12 1x5i h ARG 81 Cb 1.28 0.18 -0.13 0.00 -0.42 0.00 0.00 29.97 30.88 1x5i h ARG 81 CO 0.97 1.16 -0.43 1.52 -1.51 0.00 0.00 179.97 181.67 1x5i s TYR 82 N -2.60 0.71 -0.03 2.20 1.13 -1.26 -1.95 117.35 115.54 1x5i s TYR 82 Ca -0.11 -1.03 -0.01 0.00 -1.41 0.00 0.00 57.07 54.50 1x5i s TYR 82 Cb 0.06 -0.24 0.02 0.00 -1.10 0.00 0.00 41.96 40.70 1x5i s TYR 82 CO 0.85 -0.71 0.06 -0.47 -2.51 0.00 0.00 175.55 172.77 1x5i s TYR 83 N -4.05 -0.05 -0.40 -3.49 5.04 0.30 -4.97 117.35 109.73 1x5i s TYR 83 Ca 0.26 0.19 -0.12 0.00 -2.44 0.00 0.00 57.07 54.96 1x5i s TYR 83 Cb 0.04 -0.06 0.04 0.00 0.35 0.00 0.00 41.96 42.33 1x5i s TYR 83 CO 0.06 -0.06 0.25 0.99 -1.34 0.00 0.00 175.55 175.44 1x5i s THR 84 N 0.46 4.74 -0.46 4.34 2.01 -1.26 -0.32 115.64 125.15 1x5i s THR 84 Ca -0.04 -0.91 -0.24 0.00 0.31 0.00 0.00 61.69 60.82 1x5i s THR 84 Cb -0.05 -3.70 0.03 0.00 0.01 0.00 0.00 72.50 68.79 1x5i s THR 84 CO -0.02 -0.32 0.84 -0.63 -0.69 0.00 0.00 174.62 173.80 1x5i s ILE 85 N 1.57 4.57 0.39 1.82 1.01 -0.22 -4.87 121.20 125.47 1x5i s ILE 85 Ca 0.03 0.50 0.06 0.00 0.00 0.00 0.00 60.65 61.24 1x5i s ILE 85 Cb -0.20 -4.38 0.06 0.00 0.01 0.00 0.00 42.46 37.96 1x5i s ILE 85 CO 0.07 -0.79 0.54 -0.62 0.00 0.00 0.00 174.94 174.13 1x5i n GLU 86 N 6.91 0.73 -3.31 2.79 1.02 -1.26 -1.47 120.64 126.06 1x5i n GLU 86 Ca 0.03 -2.08 -0.17 0.00 -0.02 0.00 0.00 57.16 54.93 1x5i n GLU 86 Cb 0.48 -0.16 0.07 0.00 -0.02 0.00 0.00 31.44 31.81 1x5i n GLU 86 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1x5i n ASN 87 N -2.56 -3.65 -4.49 1.62 3.02 -1.21 -4.96 115.26 103.03 1x5i n ASN 87 Ca 0.11 -0.49 -0.26 0.00 -0.03 0.00 0.00 54.58 53.91 1x5i n ASN 87 Cb 0.40 -4.38 -0.10 0.00 -0.61 0.00 0.00 39.78 35.08 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 -5.97 2.66 -0.11 3.41 1.43 -1.16 -5.08 118.68 113.86 1x5i s LEU 88 Ca 0.22 -0.81 -0.20 0.00 -1.03 0.00 0.00 54.13 52.31 1x5i s LEU 88 Cb -0.10 -1.32 -0.04 0.00 0.03 0.00 0.00 46.19 44.76 1x5i s LEU 88 CO 0.62 0.09 0.56 -1.81 0.23 0.00 0.00 176.35 176.04 1x5i s ASP 89 N -2.96 6.77 0.55 2.29 1.11 -1.26 -4.62 116.67 118.55 1x5i s ASP 89 Ca 0.25 0.92 -0.19 0.00 0.18 0.00 0.00 52.55 53.71 1x5i s ASP 89 Cb -0.07 -2.33 -0.06 0.00 1.07 0.00 0.00 42.92 41.53 1x5i s ASP 89 CO 0.13 -0.07 1.13 -2.16 1.18 0.00 0.00 175.17 175.38 1x5i s PRO 90 N 0.84 3.32 -0.63 8.23 0.04 -1.25 -4.02 135.00 141.54 1x5i s PRO 90 Ca 0.30 1.60 -0.01 0.00 0.04 0.00 0.00 61.00 62.92 1x5i s PRO 90 Cb -0.16 -2.00 -0.01 0.00 0.04 0.00 0.00 34.50 32.37 1x5i s PRO 90 CO 0.13 -0.87 0.53 0.45 0.04 0.00 0.00 177.00 177.28 1x5i n SER 91 N -1.37 -2.73 -3.76 6.66 2.88 -1.10 -4.87 113.62 109.34 1x5i n SER 91 Ca 0.12 -0.35 -0.11 0.00 -1.33 0.00 0.00 58.87 57.19 1x5i n SER 91 Cb 0.51 -3.02 -0.07 0.00 -0.75 0.00 0.00 64.21 60.88 1x5i n SER 91 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x5i s SER 92 N -3.59 -0.11 -0.15 -3.46 0.01 -1.26 -4.99 113.70 100.15 1x5i s SER 92 Ca 0.07 -0.23 -0.16 0.00 1.31 0.00 0.00 55.95 56.94 1x5i s SER 92 Cb -0.01 0.36 -0.04 0.00 0.21 0.00 0.00 66.02 66.54 1x5i s SER 92 CO 0.40 -0.63 0.40 -2.28 0.41 0.00 0.00 173.24 171.54 1x5i s HIS 93 N -2.66 3.46 -0.11 2.43 2.46 -1.26 -2.33 115.29 117.28 1x5i s HIS 93 Ca -0.04 0.73 0.01 0.00 0.47 0.00 0.00 55.06 56.23 1x5i s HIS 93 Cb -0.00 -2.48 0.02 0.00 -0.13 0.00 0.00 32.58 29.98 1x5i s HIS 93 CO -0.04 0.14 -0.14 0.71 -2.47 0.00 0.00 174.74 172.94 1x5i s TYR 94 N 0.75 1.87 -0.54 3.88 2.02 -0.75 -3.92 117.35 120.66 1x5i s TYR 94 Ca 0.21 -0.87 -0.20 0.00 -0.37 0.00 0.00 57.07 55.84 1x5i s TYR 94 Cb -0.14 -1.37 0.07 0.00 -0.40 0.00 0.00 41.96 40.12 1x5i s TYR 94 CO 0.08 -0.47 0.69 0.08 -1.57 0.00 0.00 175.55 174.36 1x5i s VAL 95 N 1.04 4.79 -0.04 0.71 1.01 -1.24 -2.70 120.40 123.97 1x5i s VAL 95 Ca -0.06 -0.58 -0.17 0.00 0.00 0.00 0.00 61.98 61.18 1x5i s VAL 95 Cb -0.15 -4.40 -0.05 0.00 0.00 0.00 0.00 36.38 31.79 1x5i s VAL 95 CO -0.02 -0.96 0.45 -0.63 0.00 0.00 0.00 175.10 173.94 1x5i s ILE 96 N 2.83 5.06 0.22 2.22 1.09 -1.24 -3.87 121.20 127.50 1x5i s ILE 96 Ca 0.15 0.92 0.05 0.00 -1.10 0.00 0.00 60.65 60.68 1x5i s ILE 96 Cb -0.20 -3.78 -0.05 0.00 -1.06 0.00 0.00 42.46 37.37 1x5i s ILE 96 CO 0.11 0.47 -0.07 0.42 -0.10 0.00 0.00 174.94 175.77 1x5i s THR 97 N -0.35 1.33 -0.16 2.92 -4.23 0.18 -1.60 115.64 113.74 1x5i s THR 97 Ca 0.25 -2.09 -0.09 0.00 -1.18 0.00 0.00 61.69 58.57 1x5i s THR 97 Cb -0.16 -2.18 0.06 0.00 1.34 0.00 0.00 72.50 71.55 1x5i s THR 97 CO 0.13 -0.48 0.39 -0.22 -0.54 0.00 0.00 174.62 173.90 1x5i s LEU 98 N -3.30 0.03 -0.03 4.79 2.96 -1.24 -1.59 118.68 120.31 1x5i s LEU 98 Ca 0.25 0.84 0.01 0.00 -0.22 0.00 0.00 54.13 55.00 1x5i s LEU 98 Cb 0.03 1.28 0.02 0.00 0.50 0.00 0.00 46.19 48.03 1x5i s LEU 98 CO 0.07 -0.18 -0.01 -1.59 -1.32 0.00 0.00 176.35 173.32 1x5i s LYS 99 N 1.25 0.34 0.23 1.98 -2.85 -0.85 -0.37 119.74 119.46 1x5i s LYS 99 Ca -0.08 0.04 -0.30 0.00 -1.00 0.00 0.00 55.97 54.62 1x5i s LYS 99 Cb -0.08 -0.48 -0.09 0.00 -2.06 0.00 0.00 37.83 35.12 1x5i s LYS 99 CO -0.11 -0.11 0.97 0.00 0.10 0.00 0.00 175.35 176.21 1x5i s ALA 100 N 0.88 3.34 0.16 0.59 0.00 -1.26 -0.80 121.76 124.66 1x5i s ALA 100 Ca -0.09 0.66 0.01 0.00 0.00 0.00 0.00 51.96 52.54 1x5i s ALA 100 Cb -0.12 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 1x5i s ALA 100 CO -0.01 0.12 0.01 -0.59 0.00 0.00 0.00 175.76 175.28 1x5i s PHE 101 N -1.00 1.12 0.20 0.00 -0.12 -0.17 0.01 117.98 118.01 1x5i s PHE 101 Ca 0.42 -1.05 -0.22 0.00 -0.05 0.00 0.00 56.93 56.04 1x5i s PHE 101 Cb -0.27 -0.64 0.08 0.00 -0.63 0.00 0.00 43.02 41.56 1x5i s PHE 101 CO 0.33 -0.26 1.03 0.54 -0.05 0.00 0.00 175.22 176.80 1x5i s ASN 102 N -3.14 0.01 0.43 1.98 4.22 0.19 -2.83 114.94 115.80 1x5i s ASN 102 Ca 0.23 -0.71 0.25 0.00 -2.14 0.00 0.00 52.86 50.48 1x5i s ASN 102 Cb 0.06 0.52 1.27 0.00 1.28 0.00 0.00 41.25 44.38 1x5i s ASN 102 CO 0.03 -1.04 1.73 -1.13 -2.04 0.00 0.00 177.10 174.65 1x5i h ASN 103 N 2.00 0.32 -0.03 3.54 -0.73 -1.96 0.11 115.58 118.83 1x5i h ASN 103 Ca -0.28 0.09 -0.01 0.00 1.87 0.00 0.00 56.30 57.97 1x5i h ASN 103 Cb 1.22 0.04 -0.00 0.00 0.27 0.00 0.00 38.32 39.85 1x5i h ASN 103 CO 0.37 -0.01 -0.02 0.58 -0.37 0.00 0.00 177.43 177.98 1x5i h VAL 104 N 0.24 1.35 0.00 2.57 2.07 -1.86 -3.50 116.25 117.13 1x5i h VAL 104 Ca 0.66 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1x5i h VAL 104 Cb 1.96 2.02 0.00 0.00 -1.52 0.00 0.00 31.29 33.75 1x5i h VAL 104 CO -0.29 0.29 0.00 0.61 0.02 0.00 0.00 177.57 178.20 1x5i n GLY 105 N 0.12 -0.57 3.49 2.17 0.00 0.39 -4.88 105.19 105.91 1x5i n GLY 105 Ca -0.08 -0.69 -0.28 0.00 0.00 0.00 0.00 46.02 44.98 1x5i n GLY 105 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x5i s GLU 106 N -1.47 1.76 0.00 1.61 2.02 -1.26 0.56 118.70 121.92 1x5i s GLU 106 Ca 0.00 -1.35 0.00 0.00 0.02 0.00 0.00 54.97 53.64 1x5i s GLU 106 Cb 0.00 -2.02 0.00 0.00 0.10 0.00 0.00 34.13 32.21 1x5i s GLU 106 CO 0.00 0.43 0.00 0.41 0.02 0.00 0.00 175.26 176.12 1x5i n GLY 107 N 0.34 1.91 3.69 -1.39 0.00 0.10 -4.80 105.19 105.04 1x5i n GLY 107 Ca -0.13 -1.86 -0.36 0.00 0.00 0.00 0.00 46.02 43.67 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 3.48 5.33 0.86 -0.61 -0.00 -1.26 -4.83 121.20 124.17 1x5i s ILE 108 Ca 0.00 0.34 -0.11 0.00 -0.00 0.00 0.00 60.65 60.87 1x5i s ILE 108 Cb 0.00 -3.56 0.11 0.00 -0.00 0.00 0.00 42.46 39.01 1x5i s ILE 108 CO 0.00 0.36 1.09 -2.16 -0.00 0.00 0.00 174.94 174.23 1x5i s PRO 109 N 0.84 1.55 0.34 0.37 0.04 -1.26 -4.04 135.00 132.84 1x5i s PRO 109 Ca 0.11 0.93 0.08 0.00 0.04 0.00 0.00 61.00 62.16 1x5i s PRO 109 Cb -0.13 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 1x5i s PRO 109 CO 0.03 -2.07 0.21 -0.51 0.04 0.00 0.00 177.00 174.70 1x5i s LEU 110 N -6.14 3.42 -0.14 -3.56 1.43 0.50 -4.86 118.68 109.33 1x5i s LEU 110 Ca 0.63 -0.64 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 1x5i s LEU 110 Cb -0.18 -1.96 0.02 0.00 0.03 0.00 0.00 46.19 44.11 1x5i s LEU 110 CO 0.57 -0.32 -0.13 -0.31 0.23 0.00 0.00 176.35 176.39 1x5i s TYR 111 N -2.37 2.01 0.40 0.29 1.51 -1.26 -3.62 117.35 114.31 1x5i s TYR 111 Ca 0.39 -1.11 0.04 0.00 -1.01 0.00 0.00 57.07 55.38 1x5i s TYR 111 Cb -0.04 -1.51 -0.03 0.00 -0.11 0.00 0.00 41.96 40.27 1x5i s TYR 111 CO 0.24 -0.63 0.11 -1.21 -1.11 0.00 0.00 175.55 172.96 1x5i s GLU 112 N 1.52 1.90 -0.01 -0.62 0.41 -0.63 -5.04 118.70 116.22 1x5i s GLU 112 Ca 0.05 -2.15 -0.01 0.00 -0.41 0.00 0.00 54.97 52.45 1x5i s GLU 112 Cb -0.13 -0.68 0.01 0.00 -1.78 0.00 0.00 34.13 31.54 1x5i s GLU 112 CO -0.10 -0.43 0.03 -1.54 -0.49 0.00 0.00 175.26 172.73 1x5i s SER 113 N -3.60 -0.03 -0.30 -0.19 1.04 -1.26 -3.68 113.70 105.68 1x5i s SER 113 Ca 0.25 0.06 -0.11 0.00 0.48 0.00 0.00 55.95 56.63 1x5i s SER 113 Cb 0.03 0.06 0.14 0.00 0.10 0.00 0.00 66.02 66.35 1x5i s SER 113 CO 0.14 -0.02 0.71 0.00 0.98 0.00 0.00 173.24 175.05 1x5i s ALA 114 N 0.10 -2.17 -0.34 5.32 0.00 -1.10 -4.90 121.76 118.67 1x5i s ALA 114 Ca -0.01 2.29 -0.08 0.00 0.00 0.00 0.00 51.96 54.16 1x5i s ALA 114 Cb -0.01 -1.83 0.03 0.00 0.00 0.00 0.00 23.12 21.30 1x5i s ALA 114 CO -0.00 -0.94 0.14 0.08 0.00 0.00 0.00 175.76 175.04 1x5i s VAL 115 N 2.82 4.16 0.48 0.00 1.01 -1.26 -1.81 120.40 125.80 1x5i s VAL 115 Ca -0.05 -0.90 -0.20 0.00 0.00 0.00 0.00 61.98 60.83 1x5i s VAL 115 Cb -0.11 -3.29 -0.12 0.00 0.00 0.00 0.00 36.38 32.87 1x5i s VAL 115 CO -0.19 -0.13 0.39 0.35 0.00 0.00 0.00 175.10 175.52 1x5i n THR 116 N 4.90 1.53 -2.13 3.92 -2.24 -0.98 -4.76 114.28 114.52 1x5i n THR 116 Ca -0.13 -0.50 -0.33 0.00 -2.27 0.00 0.00 64.05 60.83 1x5i n THR 116 Cb 0.46 -0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.24 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 -1.59 3.42 0.15 -0.78 0.52 -1.20 -2.71 118.95 116.75 1x5i s ARG 117 Ca 0.64 1.21 -0.31 0.00 -0.52 0.00 0.00 55.73 56.75 1x5i s ARG 117 Cb -0.54 -2.05 -0.08 0.00 0.52 0.00 0.00 34.95 32.80 1x5i s ARG 117 CO 0.59 -0.73 1.34 -1.25 0.02 0.00 0.00 175.30 175.27 1x5i s PRO 118 N -3.97 4.36 -0.41 3.54 0.04 -1.26 -3.48 135.00 133.83 1x5i s PRO 118 Ca 0.64 2.04 -0.08 0.00 0.04 0.00 0.00 61.00 63.64 1x5i s PRO 118 Cb -0.16 -3.23 0.08 0.00 0.04 0.00 0.00 34.50 31.23 1x5i s PRO 118 CO 0.34 -0.35 0.23 -1.58 0.04 0.00 0.00 177.00 175.69 1x5i s HIS 119 N 0.68 3.35 0.68 0.56 2.46 -1.26 -4.98 115.29 116.78 1x5i s HIS 119 Ca 0.61 -1.60 -0.05 0.00 0.47 0.00 0.00 55.06 54.49 1x5i s HIS 119 Cb -0.36 -2.88 0.06 0.00 -0.13 0.00 0.00 32.58 29.26 1x5i s HIS 119 CO 0.33 -0.84 0.98 0.95 -2.47 0.00 0.00 174.74 173.69 1x5i s THR 120 N 1.39 2.36 -0.70 0.89 -4.23 -1.26 -5.04 115.64 109.06 1x5i s THR 120 Ca 0.03 -0.33 0.04 0.00 -1.18 0.00 0.00 61.69 60.25 1x5i s THR 120 Cb -0.22 -3.01 0.30 0.00 1.34 0.00 0.00 72.50 70.90 1x5i s THR 120 CO 0.02 -0.01 1.00 -1.54 -0.54 0.00 0.00 174.62 173.55 1x5i n SER 121 N -2.83 4.67 -3.58 3.99 3.41 -1.26 -5.03 113.62 112.99 1x5i n SER 121 Ca 0.08 -3.57 -0.09 0.00 -0.26 0.00 0.00 58.87 55.04 1x5i n SER 121 Cb 0.60 -0.73 -0.02 0.00 -0.26 0.00 0.00 64.21 63.80 1x5i n SER 121 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x5i s GLY 122 N -2.71 -0.41 0.92 5.00 0.00 -1.26 -5.17 107.32 103.68 1x5i s GLY 122 Ca 0.43 0.39 -0.12 0.00 0.00 0.00 0.00 44.72 45.42 1x5i s GLY 122 CO -0.06 0.13 1.09 2.56 0.00 0.00 0.00 173.10 176.82 1x5i s PRO 123 N -3.56 1.10 0.58 2.90 0.04 -1.26 -5.06 135.00 129.73 1x5i s PRO 123 Ca 0.06 0.76 -0.00 0.00 0.04 0.00 0.00 61.00 61.86 1x5i s PRO 123 Cb -0.02 -1.80 0.04 0.00 0.04 0.00 0.00 34.50 32.76 1x5i s PRO 123 CO -0.06 -2.33 0.82 -1.12 0.04 0.00 0.00 177.00 174.35 1x5i s SER 124 N -3.43 5.18 -0.05 6.66 0.01 -1.26 -5.00 113.70 115.81 1x5i s SER 124 Ca 0.64 0.07 -0.34 0.00 1.31 0.00 0.00 55.95 57.62 1x5i s SER 124 Cb -0.18 -0.90 -0.12 0.00 0.21 0.00 0.00 66.02 65.02 1x5i s SER 124 CO 0.57 -1.23 1.83 -1.54 0.41 0.00 0.00 173.24 173.28 1x5i n SER 125 N -2.45 3.38 -0.76 2.44 3.41 -1.26 -5.33 113.62 113.04 1x5i n SER 125 Ca 0.08 0.99 0.10 0.00 -0.26 0.00 0.00 58.87 59.78 1x5i n SER 125 Cb 0.60 -1.38 0.08 0.00 -0.26 0.00 0.00 64.21 63.25 1x5i n SER 125 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49