#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x52 s SER 2 N 0.00 -0.08 0.10 1.61 0.01 -1.26 -5.20 113.70 108.89 1x52 s SER 2 Ca 0.00 -0.87 -0.05 0.00 1.31 0.00 0.00 55.95 56.34 1x52 s SER 2 Cb 0.00 0.68 0.02 0.00 0.21 0.00 0.00 66.02 66.93 1x52 s SER 2 CO 0.00 -1.31 0.27 -1.20 0.41 0.00 0.00 173.24 171.42 1x52 n SER 3 N -0.62 -0.66 0.00 2.44 7.64 -1.26 -5.19 113.62 115.97 1x52 n SER 3 Ca -0.03 -1.43 0.00 0.00 1.01 0.00 0.00 58.87 58.42 1x52 n SER 3 Cb 0.60 1.10 0.00 0.00 -1.01 0.00 0.00 64.21 64.90 1x52 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x52 n GLY 4 N -0.19 3.67 3.36 0.23 0.00 -1.26 -5.16 105.19 105.84 1x52 n GLY 4 Ca -0.02 -1.23 -0.14 0.00 0.00 0.00 0.00 46.02 44.64 1x52 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x52 s SER 5 N 0.00 -0.46 -0.18 1.61 1.04 -1.26 -5.13 113.70 109.32 1x52 s SER 5 Ca 0.00 0.79 -0.25 0.00 0.48 0.00 0.00 55.95 56.97 1x52 s SER 5 Cb 0.00 0.82 0.06 0.00 0.10 0.00 0.00 66.02 67.01 1x52 s SER 5 CO 0.00 -0.25 0.66 -0.44 0.98 0.00 0.00 173.24 174.19 1x52 s SER 6 N -0.13 -0.66 0.00 7.02 0.01 -1.26 -5.19 113.70 113.49 1x52 s SER 6 Ca -0.03 1.09 0.00 0.00 1.31 0.00 0.00 55.95 58.32 1x52 s SER 6 Cb -0.03 1.05 0.00 0.00 0.21 0.00 0.00 66.02 67.25 1x52 s SER 6 CO 0.02 -0.37 0.00 0.61 0.41 0.00 0.00 173.24 173.91 1x52 n GLY 7 N 2.06 2.04 3.64 3.44 0.00 -1.26 -5.04 105.19 110.07 1x52 n GLY 7 Ca -0.16 -0.75 -0.07 0.00 0.00 0.00 0.00 46.02 45.04 1x52 n GLY 7 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1x52 s THR 8 N -2.00 0.00 0.09 2.61 -1.32 -1.26 -5.18 115.64 108.59 1x52 s THR 8 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 1x52 s THR 8 Cb 0.00 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.95 1x52 s THR 8 CO 0.00 0.00 -0.02 0.68 -2.21 0.00 0.00 174.62 173.07 1x52 s VAL 9 N 1.16 0.39 -0.29 5.08 -7.23 -1.26 -5.15 120.40 113.09 1x52 s VAL 9 Ca -0.06 -1.88 -0.05 0.00 -1.81 0.00 0.00 61.98 58.17 1x52 s VAL 9 Cb -0.05 -1.74 0.19 0.00 0.56 0.00 0.00 36.38 35.35 1x52 s VAL 9 CO -0.13 -0.80 0.89 0.00 -0.31 0.00 0.00 175.10 174.74 1x52 s ALA 10 N -3.83 -3.47 0.14 1.32 0.00 -1.26 -5.11 121.76 109.56 1x52 s ALA 10 Ca 0.14 1.26 0.10 0.00 0.00 0.00 0.00 51.96 53.45 1x52 s ALA 10 Cb 0.07 -2.73 -0.04 0.00 0.00 0.00 0.00 23.12 20.42 1x52 s ALA 10 CO -0.05 -2.00 -0.21 -1.12 0.00 0.00 0.00 175.76 172.39 1x52 s SER 11 N 2.91 3.67 0.03 0.00 0.01 -1.26 -5.15 113.70 113.91 1x52 s SER 11 Ca 0.21 -0.68 -0.11 0.00 1.31 0.00 0.00 55.95 56.69 1x52 s SER 11 Cb -0.05 -0.41 0.01 0.00 0.21 0.00 0.00 66.02 65.78 1x52 s SER 11 CO -0.24 0.16 0.22 -0.13 0.41 0.00 0.00 173.24 173.66 1x52 s ARG 12 N -2.31 0.68 0.57 12.44 3.00 -1.26 -4.86 118.95 127.21 1x52 s ARG 12 Ca 0.18 -0.51 0.08 0.00 0.00 0.00 0.00 55.73 55.48 1x52 s ARG 12 Cb -0.10 0.29 0.07 0.00 0.00 0.00 0.00 34.95 35.21 1x52 s ARG 12 CO 0.09 -0.20 0.63 -0.51 0.00 0.00 0.00 175.30 175.31 1x52 s LEU 13 N -1.88 2.87 -1.14 2.53 2.01 -1.26 -5.04 118.68 116.77 1x52 s LEU 13 Ca -0.08 -1.07 -0.03 0.00 0.01 0.00 0.00 54.13 52.97 1x52 s LEU 13 Cb -0.03 -1.36 0.25 0.00 0.01 0.00 0.00 46.19 45.06 1x52 s LEU 13 CO -0.02 -1.28 2.01 -1.20 1.01 0.00 0.00 176.35 176.87 1x52 n SER 14 N -2.05 7.52 -3.43 2.29 7.64 -1.26 -4.76 113.62 119.56 1x52 n SER 14 Ca 0.08 -3.47 -0.15 0.00 1.01 0.00 0.00 58.87 56.34 1x52 n SER 14 Cb 0.63 -1.25 -0.11 0.00 -1.01 0.00 0.00 64.21 62.47 1x52 n SER 14 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1x52 s ASP 15 N -0.72 0.94 0.16 6.43 -1.08 -1.26 -5.07 116.67 116.07 1x52 s ASP 15 Ca 0.44 -0.06 -0.17 0.00 -0.52 0.00 0.00 52.55 52.24 1x52 s ASP 15 Cb 0.18 0.68 0.08 0.00 -1.46 0.00 0.00 42.92 42.40 1x52 s ASP 15 CO -0.10 -0.32 1.71 0.74 0.52 0.00 0.00 175.17 177.71 1x52 h THR 16 N 6.26 0.74 0.17 1.71 2.02 -1.98 0.19 112.91 122.03 1x52 h THR 16 Ca -0.18 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 66.96 1x52 h THR 16 Cb 1.15 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 68.19 1x52 h THR 16 CO 0.28 0.02 -0.08 0.11 0.37 0.00 0.00 175.52 176.22 1x52 h LYS 17 N 0.11 -0.22 -0.22 6.66 1.57 -1.99 -2.54 116.57 119.93 1x52 h LYS 17 Ca 0.17 0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.89 1x52 h LYS 17 Cb 0.24 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1x52 h LYS 17 CO -0.28 0.10 -0.21 0.00 -0.57 0.00 0.00 179.45 178.49 1x52 h ALA 18 N 0.18 1.23 0.00 3.86 0.00 -1.92 -0.85 119.26 121.76 1x52 h ALA 18 Ca -0.02 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 1x52 h ALA 18 Cb 0.43 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1x52 h ALA 18 CO 0.04 0.50 -0.24 0.00 0.00 0.00 0.00 179.25 179.55 1x52 h ALA 19 N 1.42 1.01 -0.00 0.00 0.00 -0.66 0.23 119.26 121.25 1x52 h ALA 19 Ca 0.06 -0.22 -0.17 0.00 0.00 0.00 0.00 54.91 54.58 1x52 h ALA 19 Cb 0.57 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.34 1x52 h ALA 19 CO 0.04 0.30 -0.68 0.78 0.00 0.00 0.00 179.25 179.69 1x52 h GLY 20 N 2.15 0.52 0.95 0.00 0.00 -0.76 -0.23 103.07 105.70 1x52 h GLY 20 Ca -0.00 -0.91 0.02 0.00 0.00 0.00 0.00 47.33 46.44 1x52 h GLY 20 CO 0.03 0.80 0.42 0.83 0.00 0.00 0.00 176.54 178.62 1x52 h GLU 21 N -0.00 0.81 -0.24 4.80 3.07 -1.09 -2.14 114.58 119.80 1x52 h GLU 21 Ca -0.08 -0.05 -0.12 0.00 -0.50 0.00 0.00 59.36 58.60 1x52 h GLU 21 Cb 1.38 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 29.09 1x52 h GLU 21 CO 0.13 0.54 -0.37 0.28 -1.40 0.00 0.00 179.01 178.19 1x52 h VAL 22 N 0.84 1.29 -0.73 3.13 2.07 -0.59 -1.68 116.25 120.58 1x52 h VAL 22 Ca 0.25 -1.51 0.11 0.00 0.82 0.00 0.00 66.70 66.37 1x52 h VAL 22 Cb -0.05 1.52 -0.08 0.00 -1.52 0.00 0.00 31.29 31.16 1x52 h VAL 22 CO -0.07 0.48 0.34 0.50 0.02 0.00 0.00 177.57 178.83 1x52 h LYS 23 N 0.44 0.52 -0.24 1.57 3.11 -0.44 0.22 116.57 121.76 1x52 h LYS 23 Ca 0.04 -0.03 -0.03 0.00 -2.81 0.00 0.00 60.65 57.82 1x52 h LYS 23 Cb 0.85 -0.12 -0.01 0.00 -1.00 0.00 0.00 32.23 31.95 1x52 h LYS 23 CO 0.07 0.35 0.02 0.00 -2.81 0.00 0.00 179.45 177.08 1x52 h ALA 24 N 1.48 0.32 -0.58 5.00 0.00 -1.13 -1.91 119.26 122.44 1x52 h ALA 24 Ca 0.38 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 55.15 1x52 h ALA 24 Cb 0.48 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 1x52 h ALA 24 CO -0.32 0.02 0.28 1.25 0.00 0.00 0.00 179.25 180.48 1x52 h LEU 25 N 0.20 0.37 0.42 0.00 5.85 -0.33 -0.68 115.31 121.14 1x52 h LEU 25 Ca 0.07 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 1x52 h LEU 25 Cb 0.36 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.37 1x52 h LEU 25 CO 0.01 0.24 -0.20 -0.78 -0.34 0.00 0.00 178.44 177.37 1x52 h ASP 26 N 0.52 -0.48 -0.43 1.25 3.58 -0.58 -0.07 116.42 120.21 1x52 h ASP 26 Ca 0.27 -0.02 -0.10 0.00 0.42 0.00 0.00 57.03 57.60 1x52 h ASP 26 Cb 0.22 0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.37 1x52 h ASP 26 CO -0.21 -0.29 -0.08 -0.78 -2.88 0.00 0.00 179.24 175.01 1x52 h ASP 27 N -0.63 0.87 0.81 2.28 1.82 -1.21 -1.47 116.42 118.90 1x52 h ASP 27 Ca -0.06 -0.26 -0.04 0.00 -0.39 0.00 0.00 57.03 56.29 1x52 h ASP 27 Cb 0.47 -0.23 -0.00 0.00 0.68 0.00 0.00 39.33 40.24 1x52 h ASP 27 CO 0.09 0.97 -0.48 0.15 -1.61 0.00 0.00 179.24 178.36 1x52 h PHE 28 N 0.80 -1.29 -0.09 0.28 3.57 -1.06 -2.84 116.94 116.30 1x52 h PHE 28 Ca 0.14 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 1x52 h PHE 28 Cb 0.58 0.46 -0.01 0.00 2.79 0.00 0.00 35.95 39.77 1x52 h PHE 28 CO 0.03 -0.73 -0.03 1.88 -2.23 0.00 0.00 178.31 177.24 1x52 h TYR 29 N -1.21 0.13 0.03 0.41 0.05 -0.65 0.15 116.97 115.88 1x52 h TYR 29 Ca -0.11 -0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.68 1x52 h TYR 29 Cb 0.97 -0.04 -0.04 0.00 1.01 0.00 0.00 36.73 38.63 1x52 h TYR 29 CO -0.09 0.17 -0.38 -0.22 -1.05 0.00 0.00 178.16 176.58 1x52 h LYS 30 N 0.13 -0.48 -0.90 4.88 3.64 -1.27 -2.81 116.57 119.77 1x52 h LYS 30 Ca 0.03 0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.48 1x52 h LYS 30 Cb 0.14 0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 32.02 1x52 h LYS 30 CO 0.00 -0.32 0.59 0.52 -2.27 0.00 0.00 179.45 177.97 1x52 h MET 31 N -0.50 1.10 -0.49 1.90 2.86 -0.87 -1.65 114.93 117.28 1x52 h MET 31 Ca 0.00 -0.07 0.14 0.00 -2.06 0.00 0.00 59.70 57.71 1x52 h MET 31 Cb 0.52 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 31.91 1x52 h MET 31 CO -0.24 0.73 0.35 1.25 1.06 0.00 0.00 176.91 180.06 1x52 h LEU 32 N 1.13 0.03 0.03 1.22 5.85 -0.54 0.35 115.31 123.39 1x52 h LEU 32 Ca 0.35 0.00 -0.36 0.00 0.84 0.00 0.00 57.88 58.71 1x52 h LEU 32 Cb 0.00 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 40.97 1x52 h LEU 32 CO -0.10 0.02 -2.21 0.00 -0.34 0.00 0.00 178.44 175.80 1x52 n GLN 33 N -4.40 0.68 0.01 1.25 1.13 -0.94 -4.10 117.38 111.01 1x52 n GLN 33 Ca 0.09 0.16 -0.07 0.00 -1.94 0.00 0.00 57.00 55.23 1x52 n GLN 33 Cb 0.54 -1.61 -0.05 0.00 0.11 0.00 0.00 30.24 29.23 1x52 n GLN 33 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1x52 h HIS 34 N 0.02 -0.13 -1.74 1.08 3.86 -0.59 -3.45 115.15 114.20 1x52 h HIS 34 Ca -0.49 -0.00 -0.38 0.00 -1.16 0.00 0.00 60.37 58.34 1x52 h HIS 34 Cb 2.05 0.04 -0.28 0.00 1.06 0.00 0.00 27.41 30.28 1x52 h HIS 34 CO 0.03 0.22 -0.74 -1.83 0.86 0.00 0.00 177.93 176.47 1x52 s GLU 35 N -2.46 0.95 0.26 2.45 -1.05 0.12 -5.02 118.70 113.95 1x52 s GLU 35 Ca -0.08 -1.54 0.19 0.00 -0.15 0.00 0.00 54.97 53.39 1x52 s GLU 35 Cb -0.00 -0.77 0.97 0.00 -0.44 0.00 0.00 34.13 33.89 1x52 s GLU 35 CO 0.31 -1.35 1.59 -0.35 0.95 0.00 0.00 175.26 176.41 1x52 n PRO 36 N 3.03 0.13 0.33 -4.83 -0.04 -0.81 -1.23 135.00 131.58 1x52 n PRO 36 Ca 0.23 0.55 0.21 0.00 -0.04 0.00 0.00 63.50 64.45 1x52 n PRO 36 Cb 0.51 -1.87 1.15 0.00 -0.04 0.00 0.00 33.50 33.26 1x52 n PRO 36 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1x52 h ASP 37 N 0.00 0.00 -0.69 3.54 5.19 -1.93 0.14 116.42 122.67 1x52 h ASP 37 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1x52 h ASP 37 Cb 0.11 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.62 1x52 h ASP 37 CO 0.00 0.00 0.00 0.54 -3.12 0.00 0.00 179.24 176.66 1x52 n ARG 38 N -3.22 3.02 -3.39 3.56 1.74 -0.37 -2.99 116.66 115.01 1x52 n ARG 38 Ca -0.03 -2.70 -0.20 0.00 -0.77 0.00 0.00 57.85 54.16 1x52 n ARG 38 Cb 0.08 -1.64 -0.09 0.00 -1.02 0.00 0.00 32.46 29.79 1x52 n ARG 38 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x52 s ALA 39 N -1.24 -0.14 0.10 7.54 0.00 0.49 -0.53 121.76 127.99 1x52 s ALA 39 Ca 0.48 -1.12 -0.12 0.00 0.00 0.00 0.00 51.96 51.20 1x52 s ALA 39 Cb 0.27 -1.94 -0.06 0.00 0.00 0.00 0.00 23.12 21.39 1x52 s ALA 39 CO 0.30 -2.10 0.47 -0.06 0.00 0.00 0.00 175.76 174.37 1x52 s PHE 40 N 1.42 3.61 0.12 0.00 0.40 -0.74 -4.81 117.98 117.99 1x52 s PHE 40 Ca 0.17 0.93 -0.02 0.00 -0.60 0.00 0.00 56.93 57.41 1x52 s PHE 40 Cb -0.17 -2.27 -0.04 0.00 0.51 0.00 0.00 43.02 41.06 1x52 s PHE 40 CO -0.05 0.49 0.06 1.52 0.70 0.00 0.00 175.22 177.95 1x52 s TYR 41 N -1.39 0.78 0.00 0.36 1.13 -1.26 -0.92 117.35 116.04 1x52 s TYR 41 Ca 0.34 -1.17 0.00 0.00 -1.41 0.00 0.00 57.07 54.83 1x52 s TYR 41 Cb -0.15 -0.43 0.00 0.00 -1.10 0.00 0.00 41.96 40.28 1x52 s TYR 41 CO 0.18 -0.52 0.00 0.41 -2.51 0.00 0.00 175.55 173.11 1x52 n GLY 42 N -0.08 -1.63 0.31 5.49 0.00 -0.58 -4.36 105.19 104.33 1x52 n GLY 42 Ca -0.07 -1.12 0.08 0.00 0.00 0.00 0.00 46.02 44.91 1x52 n GLY 42 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1x52 h LEU 43 N 0.00 -0.45 -0.30 0.99 5.85 -1.89 -1.39 115.31 118.11 1x52 h LEU 43 Ca 0.00 0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.95 1x52 h LEU 43 Cb 0.00 0.42 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1x52 h LEU 43 CO 0.00 -0.25 0.17 0.50 -0.34 0.00 0.00 178.44 178.53 1x52 h LYS 44 N 0.06 0.42 0.85 1.25 3.64 -1.98 0.05 116.57 120.86 1x52 h LYS 44 Ca 0.47 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.77 1x52 h LYS 44 Cb 0.87 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.61 1x52 h LYS 44 CO -0.78 0.34 -0.41 1.96 -2.27 0.00 0.00 179.45 178.29 1x52 h GLN 45 N 0.38 -1.10 -0.90 1.90 4.20 -1.47 -2.96 115.11 115.16 1x52 h GLN 45 Ca 0.11 0.08 0.17 0.00 0.06 0.00 0.00 58.65 59.06 1x52 h GLN 45 Cb 0.04 0.25 -0.07 0.00 0.30 0.00 0.00 27.48 28.00 1x52 h GLN 45 CO -0.02 -0.73 0.58 0.28 -0.67 0.00 0.00 178.83 178.27 1x52 h VAL 46 N -1.15 0.77 0.00 -0.54 2.07 -1.31 0.15 116.25 116.24 1x52 h VAL 46 Ca -0.12 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1x52 h VAL 46 Cb 0.88 0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1x52 h VAL 46 CO 0.19 0.11 -0.02 -0.33 0.02 0.00 0.00 177.57 177.53 1x52 h GLU 47 N 0.59 0.00 0.10 1.57 5.08 -0.82 -0.31 114.58 120.80 1x52 h GLU 47 Ca 0.47 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.53 1x52 h GLU 47 Cb 0.90 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 1x52 h GLU 47 CO -0.21 0.02 -1.55 -0.22 -1.00 0.00 0.00 179.01 176.05 1x52 h LYS 48 N 0.00 0.22 -0.84 2.33 1.63 -0.64 -3.33 116.57 115.94 1x52 h LYS 48 Ca -0.00 -0.38 0.13 0.00 -0.85 0.00 0.00 60.65 59.55 1x52 h LYS 48 Cb 0.17 0.14 -0.06 0.00 -0.60 0.00 0.00 32.23 31.88 1x52 h LYS 48 CO 0.00 1.18 0.54 0.00 -3.45 0.00 0.00 179.45 177.73 1x52 h ALA 49 N -0.07 1.85 -0.34 5.00 0.00 -0.60 -1.54 119.26 123.56 1x52 h ALA 49 Ca -0.34 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 1x52 h ALA 49 Cb 1.78 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 1x52 h ALA 49 CO 0.03 -0.05 0.07 -0.97 0.00 0.00 0.00 179.25 178.33 1x52 h ASN 50 N 0.67 0.52 -0.00 0.00 -0.73 -1.24 -2.85 115.58 111.94 1x52 h ASN 50 Ca 0.41 -0.25 0.00 0.00 1.87 0.00 0.00 56.30 58.33 1x52 h ASN 50 Cb 0.64 -0.14 -0.00 0.00 0.27 0.00 0.00 38.32 39.09 1x52 h ASN 50 CO -0.17 0.64 0.00 -0.33 -0.37 0.00 0.00 177.43 177.20 1x52 h GLU 51 N 0.39 0.00 0.00 6.67 5.08 -1.41 -1.04 114.58 124.27 1x52 h GLU 51 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1x52 h GLU 51 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1x52 h GLU 51 CO 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 1x52 n ALA 52 N -2.48 2.63 -1.73 3.43 0.00 -0.90 -4.90 120.51 116.55 1x52 n ALA 52 Ca -0.03 -0.19 -0.13 0.00 0.00 0.00 0.00 53.44 53.09 1x52 n ALA 52 Cb 0.09 -1.49 -0.04 0.00 0.00 0.00 0.00 19.45 18.00 1x52 n ALA 52 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1x52 n MET 53 N -1.01 -1.58 0.00 0.00 2.81 -0.39 -4.83 117.12 112.12 1x52 n MET 53 Ca 0.23 0.72 0.10 0.00 -1.81 0.00 0.00 57.70 56.93 1x52 n MET 53 Cb 0.11 -5.08 -0.08 0.00 -0.71 0.00 0.00 33.22 27.46 1x52 n MET 53 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1x52 n ALA 54 N -0.42 4.26 -2.17 3.04 0.00 -1.11 -4.91 120.51 119.21 1x52 n ALA 54 Ca -0.14 -0.59 -0.43 0.00 0.00 0.00 0.00 53.44 52.29 1x52 n ALA 54 Cb 0.49 -0.74 -0.02 0.00 0.00 0.00 0.00 19.45 19.17 1x52 n ALA 54 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1x52 s ILE 55 N -2.73 3.82 -0.05 0.00 1.01 -1.25 -0.38 121.20 121.61 1x52 s ILE 55 Ca 0.11 0.96 -0.10 0.00 0.00 0.00 0.00 60.65 61.62 1x52 s ILE 55 Cb 0.16 -3.73 -0.06 0.00 0.01 0.00 0.00 42.46 38.85 1x52 s ILE 55 CO 0.74 -0.21 0.45 -0.78 0.00 0.00 0.00 174.94 175.14 1x52 h ASP 56 N 9.74 -0.31 -3.81 3.58 3.58 -1.43 -3.36 116.42 124.42 1x52 h ASP 56 Ca -0.33 0.01 -0.28 0.00 0.42 0.00 0.00 57.03 56.85 1x52 h ASP 56 Cb 1.15 0.08 -0.28 0.00 1.72 0.00 0.00 39.33 41.99 1x52 h ASP 56 CO 0.98 0.09 -0.74 -0.89 -2.88 0.00 0.00 179.24 175.81 1x52 s THR 57 N -2.73 0.20 -0.12 2.25 2.01 -1.21 -0.38 115.64 115.66 1x52 s THR 57 Ca -0.05 -0.11 -0.01 0.00 0.31 0.00 0.00 61.69 61.82 1x52 s THR 57 Cb 0.01 -0.18 -0.03 0.00 0.01 0.00 0.00 72.50 72.31 1x52 s THR 57 CO 0.16 0.06 -0.07 -0.22 -0.69 0.00 0.00 174.62 173.86 1x52 s LEU 58 N -0.04 3.12 -0.12 4.42 2.96 -0.14 -0.48 118.68 128.39 1x52 s LEU 58 Ca 0.01 -0.13 -0.02 0.00 -0.22 0.00 0.00 54.13 53.77 1x52 s LEU 58 Cb -0.01 -1.72 -0.03 0.00 0.50 0.00 0.00 46.19 44.93 1x52 s LEU 58 CO -0.00 0.24 -0.05 -0.76 -1.32 0.00 0.00 176.35 174.45 1x52 s LEU 59 N -0.04 3.22 -0.04 -0.68 1.43 0.52 -0.56 118.68 122.52 1x52 s LEU 59 Ca 0.00 -0.07 -0.06 0.00 -1.03 0.00 0.00 54.13 52.97 1x52 s LEU 59 Cb -0.13 -1.74 0.01 0.00 0.03 0.00 0.00 46.19 44.35 1x52 s LEU 59 CO 0.03 0.26 0.15 -0.51 0.23 0.00 0.00 176.35 176.51 1x52 s ILE 60 N -0.18 0.02 0.11 -0.59 2.07 -0.50 -1.37 121.20 120.77 1x52 s ILE 60 Ca 0.03 -0.20 -0.30 0.00 -1.41 0.00 0.00 60.65 58.77 1x52 s ILE 60 Cb -0.13 -0.29 -0.07 0.00 0.13 0.00 0.00 42.46 42.10 1x52 s ILE 60 CO 0.03 -0.11 1.23 -0.55 -1.91 0.00 0.00 174.94 173.63 1x52 s SER 61 N -0.33 7.03 0.45 4.50 0.15 -0.11 -0.70 113.70 124.69 1x52 s SER 61 Ca -0.04 2.15 0.15 0.00 0.70 0.00 0.00 55.95 58.91 1x52 s SER 61 Cb -0.03 -2.59 1.09 0.00 -1.71 0.00 0.00 66.02 62.78 1x52 s SER 61 CO 0.01 -0.47 2.00 -2.24 1.20 0.00 0.00 173.24 173.73 1x52 h ASP 62 N 6.27 0.29 -0.93 5.45 2.03 -1.30 -0.58 116.42 127.64 1x52 h ASP 62 Ca -0.43 0.01 0.24 0.00 -0.73 0.00 0.00 57.03 56.12 1x52 h ASP 62 Cb 1.21 -0.06 -0.13 0.00 -0.83 0.00 0.00 39.33 39.53 1x52 h ASP 62 CO 0.80 0.18 0.45 1.05 -1.03 0.00 0.00 179.24 180.69 1x52 h GLU 63 N 0.32 0.41 0.17 4.15 4.11 -1.92 -0.08 114.58 121.74 1x52 h GLU 63 Ca 0.24 -0.02 -0.31 0.00 0.07 0.00 0.00 59.36 59.34 1x52 h GLU 63 Cb 0.54 -0.09 0.03 0.00 0.50 0.00 0.00 28.75 29.73 1x52 h GLU 63 CO -0.06 0.27 -1.31 -0.07 0.07 0.00 0.00 179.01 177.92 1x52 h LEU 64 N 0.42 0.86 -2.30 3.06 3.38 -1.47 -1.78 115.31 117.49 1x52 h LEU 64 Ca 0.60 -0.86 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1x52 h LEU 64 Cb 1.18 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.65 1x52 h LEU 64 CO -0.54 1.64 0.23 0.15 0.09 0.00 0.00 178.44 180.02 1x52 h PHE 65 N 0.21 0.00 -0.04 1.13 3.57 -1.16 -1.53 116.94 119.12 1x52 h PHE 65 Ca -0.21 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.28 1x52 h PHE 65 Cb 1.99 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.73 1x52 h PHE 65 CO 0.12 0.00 -0.05 0.54 -2.23 0.00 0.00 178.31 176.69 1x52 n ARG 66 N -2.95 1.55 -1.65 1.11 1.74 -0.12 -4.81 116.66 111.52 1x52 n ARG 66 Ca -0.02 -2.71 -0.40 0.00 -0.77 0.00 0.00 57.85 53.95 1x52 n ARG 66 Cb 0.29 -1.57 0.02 0.00 -1.02 0.00 0.00 32.46 30.18 1x52 n ARG 66 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 1x52 n HIS 67 N -1.27 1.49 0.22 -1.55 -0.00 -0.58 -4.90 115.22 108.62 1x52 n HIS 67 Ca 0.17 0.50 0.11 0.00 0.46 0.00 0.00 57.72 58.97 1x52 n HIS 67 Cb 0.69 -2.27 0.31 0.00 -0.12 0.00 0.00 29.99 28.60 1x52 n HIS 67 CO 0.00 0.00 0.00 -0.56 0.46 0.00 0.00 176.34 176.24 1x52 h GLN 68 N 1.47 0.00 -5.66 1.57 3.07 -1.91 -3.39 115.11 110.26 1x52 h GLN 68 Ca -0.47 0.00 -0.63 0.00 0.09 0.00 0.00 58.65 57.64 1x52 h GLN 68 Cb 1.33 0.00 -0.14 0.00 0.08 0.00 0.00 27.48 28.75 1x52 h GLN 68 CO 0.56 0.14 0.35 0.34 0.09 0.00 0.00 178.83 180.31 1x52 s ASP 69 N -6.15 6.36 0.58 0.06 2.15 -1.26 -4.94 116.67 113.47 1x52 s ASP 69 Ca 0.04 -0.29 0.28 0.00 0.43 0.00 0.00 52.55 53.00 1x52 s ASP 69 Cb 0.07 -2.38 1.70 0.00 -0.30 0.00 0.00 42.92 42.01 1x52 s ASP 69 CO 0.65 -0.98 2.20 0.58 -0.17 0.00 0.00 175.17 177.45 1x52 h VAL 70 N 5.97 0.58 0.22 1.11 2.07 -1.98 0.18 116.25 124.39 1x52 h VAL 70 Ca -0.25 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 1x52 h VAL 70 Cb 1.08 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 1x52 h VAL 70 CO 0.99 0.00 -0.10 0.00 0.02 0.00 0.00 177.57 178.47 1x52 h ALA 71 N 1.93 -0.29 -0.38 1.67 0.00 -1.93 0.90 119.26 121.17 1x52 h ALA 71 Ca 0.03 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 54.80 1x52 h ALA 71 Cb 0.16 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 1x52 h ALA 71 CO -0.00 -0.40 -0.01 1.15 0.00 0.00 0.00 179.25 179.99 1x52 h THR 72 N -0.81 0.71 -0.50 0.00 2.02 -1.73 -0.18 112.91 112.44 1x52 h THR 72 Ca -0.03 -0.03 0.08 0.00 0.77 0.00 0.00 66.41 67.20 1x52 h THR 72 Cb 0.51 0.61 -0.07 0.00 -1.74 0.00 0.00 68.15 67.47 1x52 h THR 72 CO 0.05 0.02 0.12 -0.09 0.37 0.00 0.00 175.52 175.98 1x52 h ARG 73 N 0.09 0.25 -0.83 6.66 2.43 -0.73 -1.61 114.38 120.65 1x52 h ARG 73 Ca 0.18 -0.02 0.17 0.00 -0.81 0.00 0.00 59.98 59.51 1x52 h ARG 73 Cb 0.26 -0.06 -0.11 0.00 -0.42 0.00 0.00 29.97 29.65 1x52 h ARG 73 CO -0.31 0.17 0.35 0.66 -1.51 0.00 0.00 179.97 179.32 1x52 h SER 74 N 0.26 0.32 0.59 -3.80 4.64 0.99 0.10 113.55 116.65 1x52 h SER 74 Ca 0.25 0.13 -0.02 0.00 -0.47 0.00 0.00 61.79 61.67 1x52 h SER 74 Cb 0.32 0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1x52 h SER 74 CO -0.31 0.08 -0.34 0.03 -0.87 0.00 0.00 176.83 175.42 1x52 h ARG 75 N 0.45 -0.84 0.13 4.77 3.08 -0.50 0.12 114.38 121.59 1x52 h ARG 75 Ca 0.48 0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.60 1x52 h ARG 75 Cb 0.79 0.19 -0.04 0.00 0.08 0.00 0.00 29.97 31.00 1x52 h ARG 75 CO -0.45 -0.56 -0.32 1.88 -1.07 0.00 0.00 179.97 179.45 1x52 h TYR 76 N -0.87 -0.88 -0.44 3.04 0.05 -1.04 0.27 116.97 117.10 1x52 h TYR 76 Ca -0.07 0.02 -0.07 0.00 0.05 0.00 0.00 58.73 58.66 1x52 h TYR 76 Cb 0.70 0.37 -0.02 0.00 1.01 0.00 0.00 36.73 38.78 1x52 h TYR 76 CO -0.08 -0.43 -0.00 -0.39 -1.05 0.00 0.00 178.16 176.21 1x52 h VAL 77 N -0.55 1.23 0.31 -2.88 -1.51 -0.87 0.17 116.25 112.14 1x52 h VAL 77 Ca 0.03 -0.96 -0.02 0.00 -1.23 0.00 0.00 66.70 64.52 1x52 h VAL 77 Cb 0.58 0.90 0.00 0.00 -2.13 0.00 0.00 31.29 30.64 1x52 h VAL 77 CO -0.18 0.34 -0.15 0.03 -1.23 0.00 0.00 177.57 176.38 1x52 h ARG 78 N 0.68 -0.40 -0.71 5.19 2.47 -0.57 -1.88 114.38 119.18 1x52 h ARG 78 Ca 0.14 0.03 0.04 0.00 -1.26 0.00 0.00 59.98 58.92 1x52 h ARG 78 Cb 0.43 0.09 -0.05 0.00 -1.65 0.00 0.00 29.97 28.79 1x52 h ARG 78 CO 0.02 -0.19 0.43 1.25 0.56 0.00 0.00 179.97 182.04 1x52 h LEU 79 N -0.52 0.69 -1.70 3.04 5.85 -0.68 0.28 115.31 122.28 1x52 h LEU 79 Ca -0.04 0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.77 1x52 h LEU 79 Cb 0.39 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 1x52 h LEU 79 CO 0.07 0.47 0.34 0.58 -0.34 0.00 0.00 178.44 179.56 1x52 h VAL 80 N 0.83 0.92 0.06 1.05 2.07 -0.85 -1.87 116.25 118.47 1x52 h VAL 80 Ca 0.30 -0.12 -0.33 0.00 0.82 0.00 0.00 66.70 67.36 1x52 h VAL 80 Cb 0.07 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 1x52 h VAL 80 CO -0.13 0.06 -1.86 -0.67 0.02 0.00 0.00 177.57 175.00 1x52 n ASP 81 N -4.47 1.51 0.20 0.57 2.03 -0.38 -3.80 116.55 112.20 1x52 n ASP 81 Ca 0.08 0.31 0.14 0.00 0.52 0.00 0.00 54.79 55.84 1x52 n ASP 81 Cb 0.32 -0.47 0.67 0.00 -0.72 0.00 0.00 41.12 40.92 1x52 n ASP 81 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 1x52 h SER 82 N 0.04 0.00 0.50 1.67 0.87 -0.31 0.08 113.55 116.39 1x52 h SER 82 Ca -0.36 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 59.95 1x52 h SER 82 Cb 2.03 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.99 1x52 h SER 82 CO 0.08 0.00 -1.10 0.58 -0.53 0.00 0.00 176.83 175.86 1x52 h VAL 83 N 0.00 1.45 -0.61 2.23 2.07 -1.44 -3.08 116.25 116.88 1x52 h VAL 83 Ca 0.00 -2.77 -0.09 0.00 0.82 0.00 0.00 66.70 64.66 1x52 h VAL 83 Cb 0.20 2.70 -0.02 0.00 -1.52 0.00 0.00 31.29 32.65 1x52 h VAL 83 CO 0.00 0.82 0.02 0.11 0.02 0.00 0.00 177.57 178.54 1x52 h LYS 84 N 0.14 1.05 -0.86 1.57 1.57 -1.12 0.08 116.57 119.00 1x52 h LYS 84 Ca -0.11 -0.32 0.20 0.00 -1.87 0.00 0.00 60.65 58.55 1x52 h LYS 84 Cb 1.79 -0.10 -0.12 0.00 0.08 0.00 0.00 32.23 33.88 1x52 h LYS 84 CO 0.19 1.01 0.36 0.93 -0.57 0.00 0.00 179.45 181.37 1x52 h GLU 85 N 0.96 0.40 -0.66 3.15 4.39 -1.42 -2.31 114.58 119.10 1x52 h GLU 85 Ca 0.18 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.85 1x52 h GLU 85 Cb 0.52 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1x52 h GLU 85 CO 0.03 0.27 0.00 0.09 -1.16 0.00 0.00 179.01 178.23 1x52 n ASN 86 N -5.03 4.07 -2.21 1.42 4.13 -0.83 -4.90 115.26 111.92 1x52 n ASN 86 Ca 0.20 -2.52 -0.18 0.00 1.68 0.00 0.00 54.58 53.76 1x52 n ASN 86 Cb 0.58 -0.57 -0.02 0.00 -1.54 0.00 0.00 39.78 38.23 1x52 n ASN 86 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1x52 n ALA 87 N 0.60 -0.58 -1.80 5.41 0.00 -0.87 -4.89 120.51 118.38 1x52 n ALA 87 Ca 0.20 0.18 -0.02 0.00 0.00 0.00 0.00 53.44 53.80 1x52 n ALA 87 Cb 0.83 -1.92 0.01 0.00 0.00 0.00 0.00 19.45 18.37 1x52 n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x52 n GLY 88 N -0.80 -0.00 3.34 0.00 0.00 -0.05 -4.98 105.19 102.70 1x52 n GLY 88 Ca -0.21 -1.85 -0.21 0.00 0.00 0.00 0.00 46.02 43.75 1x52 n GLY 88 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x52 s THR 89 N -0.51 1.85 -0.01 2.61 2.01 0.49 -4.51 115.64 117.58 1x52 s THR 89 Ca 0.06 -2.00 0.08 0.00 0.31 0.00 0.00 61.69 60.13 1x52 s THR 89 Cb -0.00 -1.91 -0.02 0.00 0.01 0.00 0.00 72.50 70.58 1x52 s THR 89 CO 0.04 -0.37 -0.24 -0.69 -0.69 0.00 0.00 174.62 172.67 1x52 s VAL 90 N -2.24 1.90 -0.06 3.82 1.01 -1.26 -0.96 120.40 122.61 1x52 s VAL 90 Ca 0.18 -1.08 -0.01 0.00 0.00 0.00 0.00 61.98 61.06 1x52 s VAL 90 Cb -0.05 -1.59 0.03 0.00 0.00 0.00 0.00 36.38 34.77 1x52 s VAL 90 CO 0.07 0.49 0.02 -0.13 0.00 0.00 0.00 175.10 175.55 1x52 s ARG 91 N -0.69 0.37 -0.30 2.72 1.81 0.27 -4.91 118.95 118.22 1x52 s ARG 91 Ca 0.09 0.19 -0.01 0.00 -1.72 0.00 0.00 55.73 54.28 1x52 s ARG 91 Cb -0.09 -0.79 0.05 0.00 -0.45 0.00 0.00 34.95 33.67 1x52 s ARG 91 CO -0.00 -0.30 -0.01 0.42 -0.68 0.00 0.00 175.30 174.73 1x52 s ILE 92 N 1.95 2.90 0.04 1.52 -1.09 -1.26 -1.41 121.20 123.85 1x52 s ILE 92 Ca 0.04 -1.41 -0.19 0.00 -2.23 0.00 0.00 60.65 56.85 1x52 s ILE 92 Cb -0.12 -2.67 -0.06 0.00 -1.58 0.00 0.00 42.46 38.02 1x52 s ILE 92 CO -0.04 -0.10 0.56 -0.36 -1.23 0.00 0.00 174.94 173.76 1x52 s PHE 93 N 1.24 3.75 -0.03 3.97 0.40 0.12 -4.87 117.98 122.55 1x52 s PHE 93 Ca -0.06 1.21 -0.30 0.00 -0.60 0.00 0.00 56.93 57.18 1x52 s PHE 93 Cb -0.20 -2.51 -0.05 0.00 0.51 0.00 0.00 43.02 40.77 1x52 s PHE 93 CO -0.01 0.51 1.51 0.45 0.70 0.00 0.00 175.22 178.38 1x52 s SER 94 N -0.77 6.76 0.33 1.36 0.15 -1.26 -0.79 113.70 119.48 1x52 s SER 94 Ca 0.29 2.15 0.18 0.00 0.70 0.00 0.00 55.95 59.27 1x52 s SER 94 Cb -0.19 -2.55 0.97 0.00 -1.71 0.00 0.00 66.02 62.55 1x52 s SER 94 CO 0.18 -0.83 1.50 0.77 1.20 0.00 0.00 173.24 176.05 1x52 h SER 95 N 8.61 0.00 0.65 5.45 4.64 -1.94 -1.26 113.55 129.71 1x52 h SER 95 Ca -0.37 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 60.70 1x52 h SER 95 Cb 1.17 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1x52 h SER 95 CO 0.94 0.00 -1.12 -0.07 -0.87 0.00 0.00 176.83 175.71 1x52 h LEU 96 N 0.00 0.34-10.12 5.97 3.38 -1.97 -3.43 115.31 109.48 1x52 h LEU 96 Ca 0.00 -0.34 -0.52 0.00 0.09 0.00 0.00 57.88 57.11 1x52 h LEU 96 Cb 0.31 -0.11 0.10 0.00 0.09 0.00 0.00 40.66 41.05 1x52 h LEU 96 CO 0.00 1.23 0.43 -2.28 0.09 0.00 0.00 178.44 177.91 1x52 s HIS 97 N -2.81 2.50 0.29 1.13 2.46 -0.47 -4.92 115.29 113.46 1x52 s HIS 97 Ca -0.03 1.54 0.36 0.00 0.47 0.00 0.00 55.06 57.40 1x52 s HIS 97 Cb 0.08 -3.35 1.87 0.00 -0.13 0.00 0.00 32.58 31.05 1x52 s HIS 97 CO 0.86 -1.93 2.09 -0.24 -2.47 0.00 0.00 174.74 173.05 1x52 h VAL 98 N 0.69 0.00 0.00 0.89 3.04 -1.89 -0.24 116.25 118.74 1x52 h VAL 98 Ca -0.49 -0.07 -0.07 0.00 -1.01 0.00 0.00 66.70 65.06 1x52 h VAL 98 Cb 1.27 0.91 -0.01 0.00 -2.01 0.00 0.00 31.29 31.45 1x52 h VAL 98 CO 0.55 0.00 -0.32 0.77 -1.01 0.00 0.00 177.57 177.56 1x52 h SER 99 N 0.00 0.00 0.83 3.17 4.64 -1.91 0.19 113.55 120.47 1x52 h SER 99 Ca 0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 1x52 h SER 99 Cb 0.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 1x52 h SER 99 CO 0.00 0.32 -0.38 1.23 -0.87 0.00 0.00 176.83 177.13 1x52 h GLY 100 N 1.29 0.00 0.44 -0.77 0.00 -1.16 0.16 103.07 103.03 1x52 h GLY 100 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 1x52 h GLY 100 CO 0.04 0.00 -0.01 0.83 0.00 0.00 0.00 176.54 177.40 1x52 h GLU 101 N 0.00 0.01 -0.53 4.80 5.08 -1.50 -2.66 114.58 119.78 1x52 h GLU 101 Ca -0.00 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1x52 h GLU 101 Cb 0.90 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.12 1x52 h GLU 101 CO 0.05 0.58 0.28 1.96 -1.00 0.00 0.00 179.01 180.89 1x52 h GLN 102 N -0.56 0.73 0.00 2.33 1.08 -0.59 0.40 115.11 118.50 1x52 h GLN 102 Ca 0.00 -0.07 -0.11 0.00 -1.45 0.00 0.00 58.65 57.02 1x52 h GLN 102 Cb 0.58 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.85 1x52 h GLN 102 CO 0.00 0.54 -0.52 1.25 -0.95 0.00 0.00 178.83 179.15 1x52 h LEU 103 N 0.73 0.00 -0.91 1.46 5.85 -0.81 -3.26 115.31 118.38 1x52 h LEU 103 Ca 0.19 0.00 0.14 0.00 0.84 0.00 0.00 57.88 59.05 1x52 h LEU 103 Cb 0.03 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 40.97 1x52 h LEU 103 CO -0.03 0.52 0.52 -1.28 -0.34 0.00 0.00 178.44 177.83 1x52 h SER 104 N 0.00 0.69 0.00 1.25 0.87 -0.53 0.36 113.55 116.18 1x52 h SER 104 Ca -0.01 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1x52 h SER 104 Cb 0.93 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.85 1x52 h SER 104 CO 0.07 0.31 0.00 0.00 -0.53 0.00 0.00 176.83 176.68 1x52 n GLN 105 N -4.78 0.30 -1.21 2.24 3.00 -1.19 -1.51 117.38 114.23 1x52 n GLN 105 Ca 0.18 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.21 1x52 n GLN 105 Cb 0.42 -1.30 0.04 0.00 0.00 0.00 0.00 30.24 29.40 1x52 n GLN 105 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1x52 n LEU 106 N -0.80 1.00 0.00 1.08 4.77 0.59 -4.99 117.00 118.66 1x52 n LEU 106 Ca 0.04 -2.01 0.00 0.00 -0.03 0.00 0.00 56.01 54.01 1x52 n LEU 106 Cb 0.02 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 1x52 n LEU 106 CO 0.03 0.54 0.00 0.35 -1.33 0.00 0.00 177.39 176.98 1x52 n THR 107 N 0.23 0.00 -0.97 -5.08 -2.24 -0.57 -2.88 114.28 102.77 1x52 n THR 107 Ca 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 1x52 n THR 107 Cb 1.02 -0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 1x52 n THR 107 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x52 n GLY 108 N -1.64 0.43 3.07 3.38 0.00 0.93 -4.88 105.19 106.49 1x52 n GLY 108 Ca 0.00 -0.78 -0.12 0.00 0.00 0.00 0.00 46.02 45.11 1x52 n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x52 s VAL 109 N -2.00 -0.03 0.23 1.61 0.11 -1.14 -0.93 120.40 118.25 1x52 s VAL 109 Ca 0.00 0.11 -0.13 0.00 -2.93 0.00 0.00 61.98 59.03 1x52 s VAL 109 Cb 0.00 -0.37 0.00 0.00 -1.53 0.00 0.00 36.38 34.48 1x52 s VAL 109 CO 0.00 0.04 0.46 0.00 -3.33 0.00 0.00 175.10 172.28 1x52 s ALA 110 N 0.96 -0.33 -0.10 1.54 0.00 -0.47 -1.53 121.76 121.84 1x52 s ALA 110 Ca -0.07 -0.77 -0.18 0.00 0.00 0.00 0.00 51.96 50.93 1x52 s ALA 110 Cb -0.08 1.01 0.04 0.00 0.00 0.00 0.00 23.12 24.09 1x52 s ALA 110 CO -0.06 -0.82 0.45 0.00 0.00 0.00 0.00 175.76 175.33 1x52 s ALA 111 N -3.99 -1.14 0.34 0.00 0.00 -0.10 -0.36 121.76 116.51 1x52 s ALA 111 Ca 0.20 0.97 -0.18 0.00 0.00 0.00 0.00 51.96 52.95 1x52 s ALA 111 Cb -0.00 -0.34 -0.09 0.00 0.00 0.00 0.00 23.12 22.69 1x52 s ALA 111 CO 0.06 -0.26 0.80 0.42 0.00 0.00 0.00 175.76 176.78 1x52 s ILE 112 N -0.56 4.56 0.08 0.00 1.01 0.36 -1.79 121.20 124.87 1x52 s ILE 112 Ca -0.07 1.19 0.09 0.00 0.00 0.00 0.00 60.65 61.86 1x52 s ILE 112 Cb -0.03 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.73 1x52 s ILE 112 CO 0.04 -0.14 -0.21 -0.76 0.00 0.00 0.00 174.94 173.86 1x52 s LEU 113 N -2.83 2.51 0.28 2.97 1.43 0.31 -1.13 118.68 122.22 1x52 s LEU 113 Ca 0.54 -0.55 0.07 0.00 -1.03 0.00 0.00 54.13 53.16 1x52 s LEU 113 Cb -0.11 -1.43 0.39 0.00 0.03 0.00 0.00 46.19 45.06 1x52 s LEU 113 CO 0.17 0.22 1.65 0.03 0.23 0.00 0.00 176.35 178.65 1x52 h ARG 114 N 4.21 0.19 -3.14 1.70 3.08 -1.03 -3.45 114.38 115.95 1x52 h ARG 114 Ca -0.49 -0.11 -0.09 0.00 0.07 0.00 0.00 59.98 59.36 1x52 h ARG 114 Cb 1.16 0.01 -0.17 0.00 0.08 0.00 0.00 29.97 31.04 1x52 h ARG 114 CO 0.45 0.65 -0.19 -0.59 -1.07 0.00 0.00 179.97 179.22 1x52 s PHE 115 N -3.94 -0.18 -0.29 3.04 -0.12 -1.26 -5.11 117.98 110.11 1x52 s PHE 115 Ca -0.04 0.13 -0.29 0.00 -0.05 0.00 0.00 56.93 56.68 1x52 s PHE 115 Cb 0.13 0.15 -0.01 0.00 -0.63 0.00 0.00 43.02 42.65 1x52 s PHE 115 CO 0.78 -0.51 1.51 -1.25 -0.05 0.00 0.00 175.22 175.69 1x52 s PRO 116 N -2.31 3.74 -0.08 1.99 0.04 -1.26 -4.74 135.00 132.37 1x52 s PRO 116 Ca -0.06 1.37 -0.30 0.00 0.04 0.00 0.00 61.00 62.05 1x52 s PRO 116 Cb -0.01 -4.01 -0.03 0.00 0.04 0.00 0.00 34.50 30.48 1x52 s PRO 116 CO -0.02 -1.36 1.33 0.08 0.04 0.00 0.00 177.00 177.08 1x52 s VAL 117 N 5.19 4.03 -1.20 -0.36 1.01 -1.16 -4.92 120.40 123.00 1x52 s VAL 117 Ca 0.66 1.33 -0.20 0.00 0.00 0.00 0.00 61.98 63.76 1x52 s VAL 117 Cb -0.20 -3.85 0.02 0.00 0.00 0.00 0.00 36.38 32.35 1x52 s VAL 117 CO 0.29 -0.06 1.75 -2.16 0.00 0.00 0.00 175.10 174.92 1x52 s PRO 118 N 2.97 3.47 0.00 2.72 0.04 -1.26 -4.82 135.00 138.12 1x52 s PRO 118 Ca 0.60 -1.54 0.00 0.00 0.04 0.00 0.00 61.00 60.09 1x52 s PRO 118 Cb -0.26 -5.41 0.00 0.00 0.04 0.00 0.00 34.50 28.87 1x52 s PRO 118 CO 0.21 -2.75 0.00 0.43 0.04 0.00 0.00 177.00 174.94 1x52 n SER 119 N 10.31 0.00 -3.70 6.66 7.64 -1.26 -5.18 113.62 128.09 1x52 n SER 119 Ca 0.45 -0.56 -0.11 0.00 1.01 0.00 0.00 58.87 59.66 1x52 n SER 119 Cb 0.47 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.55 1x52 n SER 119 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x52 s GLY 120 N -0.56 -0.25 0.67 0.23 0.00 -1.26 -5.13 107.32 101.02 1x52 s GLY 120 Ca 0.00 1.31 -0.14 0.00 0.00 0.00 0.00 44.72 45.89 1x52 s GLY 120 CO 0.00 1.67 1.10 2.56 0.00 0.00 0.00 173.10 178.43 1x52 s PRO 121 N 1.60 2.78 -0.05 2.90 0.04 -1.26 -5.02 135.00 135.99 1x52 s PRO 121 Ca -0.08 1.34 -0.02 0.00 0.04 0.00 0.00 61.00 62.28 1x52 s PRO 121 Cb -0.10 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.48 1x52 s PRO 121 CO -0.11 -1.26 -0.04 0.66 0.04 0.00 0.00 177.00 176.29 1x52 h SER 122 N -0.10 0.00 -4.83 6.66 4.64 -2.02 -3.49 113.55 114.40 1x52 h SER 122 Ca -0.46 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.32 1x52 h SER 122 Cb 1.24 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.21 1x52 h SER 122 CO 0.54 0.25 -0.45 -0.24 -0.87 0.00 0.00 176.83 176.05 1x52 n SER 123 N -3.10 0.97 0.00 4.97 2.88 -1.26 -5.37 113.62 112.72 1x52 n SER 123 Ca -0.02 -3.12 0.00 0.00 -1.33 0.00 0.00 58.87 54.40 1x52 n SER 123 Cb 0.06 1.09 0.00 0.00 -0.75 0.00 0.00 64.21 64.61 1x52 n SER 123 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42