#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x52 n SER 2 N 0.00 0.00 0.00 1.61 7.64 -1.26 -5.13 113.62 116.48 1x52 n SER 2 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1x52 n SER 2 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1x52 n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x52 n SER 3 N 0.00 0.00 0.00 6.43 2.88 -1.26 -4.88 113.62 116.79 1x52 n SER 3 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1x52 n SER 3 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1x52 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x52 n GLY 4 N 0.00 0.88 0.45 0.46 0.00 -1.26 -4.99 105.19 100.74 1x52 n GLY 4 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1x52 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x52 n SER 5 N -2.62 -0.64 -3.58 1.61 2.88 -1.26 -5.04 113.62 104.96 1x52 n SER 5 Ca 0.00 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.27 1x52 n SER 5 Cb 0.00 -0.11 -0.10 0.00 -0.75 0.00 0.00 64.21 63.25 1x52 n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1x52 n SER 6 N 0.45 2.03 -4.15 -3.46 3.41 -1.26 -5.11 113.62 105.54 1x52 n SER 6 Ca 0.00 -3.01 -0.30 0.00 -0.26 0.00 0.00 58.87 55.30 1x52 n SER 6 Cb 0.01 -0.68 0.21 0.00 -0.26 0.00 0.00 64.21 63.49 1x52 n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x52 s GLY 7 N -1.32 1.61 0.25 5.00 0.00 -1.26 -4.94 107.32 106.65 1x52 s GLY 7 Ca 0.32 -0.83 0.06 0.00 0.00 0.00 0.00 44.72 44.27 1x52 s GLY 7 CO -0.13 -0.05 0.26 -1.59 0.00 0.00 0.00 173.10 171.59 1x52 s THR 8 N -3.16 4.64 -0.39 0.90 2.01 -1.26 -5.08 115.64 113.29 1x52 s THR 8 Ca 0.69 -1.27 0.02 0.00 0.31 0.00 0.00 61.69 61.45 1x52 s THR 8 Cb -0.11 -3.53 0.16 0.00 0.01 0.00 0.00 72.50 69.02 1x52 s THR 8 CO 0.55 -0.33 0.28 0.54 -0.69 0.00 0.00 174.62 174.98 1x52 s VAL 9 N -2.10 0.34 0.08 3.82 0.11 -1.26 -5.12 120.40 116.27 1x52 s VAL 9 Ca 0.34 -2.28 -0.26 0.00 -2.93 0.00 0.00 61.98 56.85 1x52 s VAL 9 Cb -0.08 -1.25 0.07 0.00 -1.53 0.00 0.00 36.38 33.58 1x52 s VAL 9 CO 0.26 -1.12 0.63 0.00 -3.33 0.00 0.00 175.10 171.55 1x52 s ALA 10 N 0.47 -1.66 -0.30 1.54 0.00 -1.26 -5.14 121.76 115.41 1x52 s ALA 10 Ca 0.26 0.81 -0.14 0.00 0.00 0.00 0.00 51.96 52.89 1x52 s ALA 10 Cb -0.09 0.53 0.18 0.00 0.00 0.00 0.00 23.12 23.74 1x52 s ALA 10 CO -0.10 -0.61 1.06 0.45 0.00 0.00 0.00 175.76 176.56 1x52 s SER 11 N -2.13 -0.45 0.24 0.00 0.15 -1.26 -5.18 113.70 105.07 1x52 s SER 11 Ca -0.04 0.44 0.00 0.00 0.70 0.00 0.00 55.95 57.05 1x52 s SER 11 Cb -0.01 1.44 -0.03 0.00 -1.71 0.00 0.00 66.02 65.71 1x52 s SER 11 CO -0.04 -0.09 0.21 -0.13 1.20 0.00 0.00 173.24 174.39 1x52 s ARG 12 N 2.64 1.39 0.00 5.44 0.52 -1.26 -5.12 118.95 122.56 1x52 s ARG 12 Ca -0.01 -1.70 0.00 0.00 -0.52 0.00 0.00 55.73 53.50 1x52 s ARG 12 Cb -0.07 0.31 0.00 0.00 0.52 0.00 0.00 34.95 35.70 1x52 s ARG 12 CO -0.14 -0.49 0.00 -0.11 0.02 0.00 0.00 175.30 174.58 1x52 n LEU 13 N -0.38 0.00 0.00 2.53 7.94 -1.26 -4.90 117.00 120.93 1x52 n LEU 13 Ca 0.03 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.93 1x52 n LEU 13 Cb 0.65 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.60 1x52 n LEU 13 CO 0.32 -0.22 0.00 -0.24 -1.11 0.00 0.00 177.39 176.14 1x52 n SER 14 N -1.66 0.00 -3.75 1.96 2.88 -1.26 -3.95 113.62 107.84 1x52 n SER 14 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 1x52 n SER 14 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 1x52 n SER 14 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1x52 s ASP 15 N 0.00 -0.11 0.11 -3.46 2.15 -1.26 -5.06 116.67 109.04 1x52 s ASP 15 Ca 0.00 -0.26 -0.30 0.00 0.43 0.00 0.00 52.55 52.42 1x52 s ASP 15 Cb 0.00 0.37 -0.10 0.00 -0.30 0.00 0.00 42.92 42.89 1x52 s ASP 15 CO 0.00 -0.66 1.61 0.74 -0.17 0.00 0.00 175.17 176.69 1x52 h THR 16 N 3.03 0.29 -0.09 1.71 2.02 -1.98 0.14 112.91 118.04 1x52 h THR 16 Ca -0.32 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.84 1x52 h THR 16 Cb 1.21 0.29 -0.00 0.00 -1.74 0.00 0.00 68.15 67.91 1x52 h THR 16 CO 0.47 0.00 -0.02 0.50 0.37 0.00 0.00 175.52 176.85 1x52 h LYS 17 N -0.62 0.16 -0.72 6.66 3.64 -1.98 -0.71 116.57 123.00 1x52 h LYS 17 Ca 0.01 -0.06 0.13 0.00 -1.27 0.00 0.00 60.65 59.46 1x52 h LYS 17 Cb 0.61 -0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.33 1x52 h LYS 17 CO -0.14 0.47 0.27 0.00 -2.27 0.00 0.00 179.45 177.78 1x52 h ALA 18 N 0.69 0.99 -0.39 5.00 0.00 -1.87 -1.48 119.26 122.19 1x52 h ALA 18 Ca 0.02 0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 1x52 h ALA 18 Cb 0.41 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1x52 h ALA 18 CO 0.01 -0.22 -0.18 0.00 0.00 0.00 0.00 179.25 178.85 1x52 h ALA 19 N 1.53 0.93 -0.78 0.00 0.00 -0.41 0.54 119.26 121.07 1x52 h ALA 19 Ca 0.39 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1x52 h ALA 19 Cb 0.59 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1x52 h ALA 19 CO -0.40 0.61 0.31 0.78 0.00 0.00 0.00 179.25 180.55 1x52 h GLY 20 N 0.97 1.26 0.87 0.00 0.00 -0.15 0.15 103.07 106.16 1x52 h GLY 20 Ca 0.10 -0.69 -0.05 0.00 0.00 0.00 0.00 47.33 46.68 1x52 h GLY 20 CO 0.05 0.65 -0.04 0.83 0.00 0.00 0.00 176.54 178.03 1x52 h GLU 21 N 1.14 0.51 -0.85 4.80 3.07 -1.14 -2.23 114.58 119.88 1x52 h GLU 21 Ca 0.26 -0.18 0.10 0.00 -0.50 0.00 0.00 59.36 59.04 1x52 h GLU 21 Cb 0.23 -0.04 -0.08 0.00 -0.84 0.00 0.00 28.75 28.03 1x52 h GLU 21 CO -0.02 0.70 0.49 0.28 -1.40 0.00 0.00 179.01 179.06 1x52 h VAL 22 N 0.27 0.90 0.09 3.13 2.07 -0.59 -0.53 116.25 121.59 1x52 h VAL 22 Ca 0.07 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1x52 h VAL 22 Cb 0.50 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.29 1x52 h VAL 22 CO 0.02 0.15 -0.07 0.50 0.02 0.00 0.00 177.57 178.19 1x52 h LYS 23 N 0.80 -0.15 -0.98 1.57 3.11 -0.44 0.83 116.57 121.31 1x52 h LYS 23 Ca 0.41 0.01 0.05 0.00 -2.81 0.00 0.00 60.65 58.31 1x52 h LYS 23 Cb 0.40 0.03 -0.06 0.00 -1.00 0.00 0.00 32.23 31.60 1x52 h LYS 23 CO -0.26 -0.10 0.63 0.00 -2.81 0.00 0.00 179.45 176.91 1x52 h ALA 24 N 0.75 1.32 -0.14 5.00 0.00 -0.79 -0.41 119.26 124.99 1x52 h ALA 24 Ca -0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1x52 h ALA 24 Cb 0.14 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1x52 h ALA 24 CO -0.01 0.47 0.06 1.25 0.00 0.00 0.00 179.25 181.02 1x52 h LEU 25 N 1.19 0.18 -0.04 0.00 5.85 -0.59 -1.58 115.31 120.32 1x52 h LEU 25 Ca 0.41 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 59.02 1x52 h LEU 25 Cb 0.08 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.02 1x52 h LEU 25 CO -0.15 0.28 -0.22 -0.78 -0.34 0.00 0.00 178.44 177.22 1x52 h ASP 26 N 0.08 -0.67 -0.40 1.25 1.82 -0.30 0.48 116.42 118.68 1x52 h ASP 26 Ca 0.05 0.10 -0.09 0.00 -0.39 0.00 0.00 57.03 56.69 1x52 h ASP 26 Cb 0.15 0.28 -0.02 0.00 0.68 0.00 0.00 39.33 40.42 1x52 h ASP 26 CO -0.00 -0.29 -0.09 -0.78 -1.61 0.00 0.00 179.24 176.47 1x52 h ASP 27 N -0.33 0.83 0.46 2.28 1.82 -1.09 -1.69 116.42 118.70 1x52 h ASP 27 Ca 0.07 -0.25 -0.02 0.00 -0.39 0.00 0.00 57.03 56.44 1x52 h ASP 27 Cb 0.43 -0.22 0.00 0.00 0.68 0.00 0.00 39.33 40.22 1x52 h ASP 27 CO -0.23 0.95 -0.22 0.15 -1.61 0.00 0.00 179.24 178.27 1x52 h PHE 28 N 0.76 -0.58 -0.81 0.28 3.04 -1.01 -3.11 116.94 115.52 1x52 h PHE 28 Ca 0.13 -0.01 0.06 0.00 3.98 0.00 0.00 57.97 62.12 1x52 h PHE 28 Cb 0.59 0.19 -0.05 0.00 2.56 0.00 0.00 35.95 39.24 1x52 h PHE 28 CO 0.03 -0.26 0.53 1.88 -2.02 0.00 0.00 178.31 178.47 1x52 h TYR 29 N -0.88 0.91 -0.32 0.41 0.05 -0.66 -0.29 116.97 116.20 1x52 h TYR 29 Ca -0.06 0.02 0.07 0.00 0.05 0.00 0.00 58.73 58.81 1x52 h TYR 29 Cb 0.58 -0.30 -0.08 0.00 1.01 0.00 0.00 36.73 37.93 1x52 h TYR 29 CO 0.00 0.50 -0.35 -0.22 -1.05 0.00 0.00 178.16 177.04 1x52 h LYS 30 N 0.91 -0.31 -0.37 4.88 3.64 -1.36 -1.09 116.57 122.88 1x52 h LYS 30 Ca 0.34 0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.69 1x52 h LYS 30 Cb 0.17 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 1x52 h LYS 30 CO -0.11 -0.21 0.01 0.52 -2.27 0.00 0.00 179.45 177.39 1x52 h MET 31 N -0.32 0.57 0.00 1.90 2.86 -1.19 -0.81 114.93 117.95 1x52 h MET 31 Ca 0.14 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1x52 h MET 31 Cb 0.56 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.14 1x52 h MET 31 CO -0.49 0.59 0.04 1.25 1.06 0.00 0.00 176.91 179.36 1x52 h LEU 32 N 0.55 0.00 0.00 1.22 5.85 0.20 0.16 115.31 123.29 1x52 h LEU 32 Ca 0.12 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.75 1x52 h LEU 32 Cb 0.34 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 1x52 h LEU 32 CO 0.01 0.00 -1.11 0.00 -0.34 0.00 0.00 178.44 177.00 1x52 n GLN 33 N -2.67 0.52 -0.06 1.25 1.13 -0.97 -4.60 117.38 111.97 1x52 n GLN 33 Ca -0.02 0.33 -0.14 0.00 -1.94 0.00 0.00 57.00 55.23 1x52 n GLN 33 Cb 0.09 -1.54 -0.06 0.00 0.11 0.00 0.00 30.24 28.84 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 -1.00 0.62 -1.37 1.08 3.86 -0.44 -3.41 115.15 114.50 1x52 h HIS 34 Ca -0.13 -0.20 -0.33 0.00 -1.16 0.00 0.00 60.37 58.55 1x52 h HIS 34 Cb 0.98 -0.13 -0.24 0.00 1.06 0.00 0.00 27.41 29.08 1x52 h HIS 34 CO -0.28 0.90 -0.69 -0.85 0.86 0.00 0.00 177.93 177.86 1x52 n GLU 35 N -4.40 0.47 0.00 2.45 0.28 0.47 -5.02 120.64 114.90 1x52 n GLU 35 Ca -0.06 -2.44 0.04 0.00 -0.16 0.00 0.00 57.16 54.54 1x52 n GLU 35 Cb 0.44 -1.51 0.17 0.00 1.43 0.00 0.00 31.44 31.97 1x52 n GLU 35 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 1x52 n PRO 36 N 2.62 0.03 0.27 3.44 -0.04 -0.61 -0.68 135.00 140.03 1x52 n PRO 36 Ca 0.21 0.33 0.17 0.00 -0.04 0.00 0.00 63.50 64.17 1x52 n PRO 36 Cb 0.54 -1.50 0.93 0.00 -0.04 0.00 0.00 33.50 33.43 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 -0.42 3.54 3.32 -1.94 -0.83 116.42 120.09 1x52 h ASP 37 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1x52 h ASP 37 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1x52 h ASP 37 CO 0.00 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 178.06 1x52 n ARG 38 N -2.72 2.91 -3.62 3.56 1.74 0.14 -2.61 116.66 116.07 1x52 n ARG 38 Ca -0.02 -2.28 -0.29 0.00 -0.77 0.00 0.00 57.85 54.48 1x52 n ARG 38 Cb 0.09 -1.41 -0.13 0.00 -1.02 0.00 0.00 32.46 29.99 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 -1.23 1.69 -0.01 7.54 0.00 -0.32 -1.42 121.76 128.03 1x52 s ALA 39 Ca 0.31 -2.32 -0.14 0.00 0.00 0.00 0.00 51.96 49.81 1x52 s ALA 39 Cb 0.18 -1.78 -0.06 0.00 0.00 0.00 0.00 23.12 21.46 1x52 s ALA 39 CO 0.19 -2.08 0.39 -0.06 0.00 0.00 0.00 175.76 174.19 1x52 s PHE 40 N 0.62 3.72 0.05 0.00 0.40 -0.97 -4.85 117.98 116.94 1x52 s PHE 40 Ca 0.18 0.95 -0.01 0.00 -0.60 0.00 0.00 56.93 57.46 1x52 s PHE 40 Cb -0.24 -2.26 -0.04 0.00 0.51 0.00 0.00 43.02 41.00 1x52 s PHE 40 CO 0.00 0.65 -0.03 1.52 0.70 0.00 0.00 175.22 178.06 1x52 s TYR 41 N -1.09 0.50 0.02 0.36 1.13 -1.26 -1.07 117.35 115.94 1x52 s TYR 41 Ca 0.23 -0.98 0.00 0.00 -1.41 0.00 0.00 57.07 54.91 1x52 s TYR 41 Cb -0.16 -0.37 0.00 0.00 -1.10 0.00 0.00 41.96 40.33 1x52 s TYR 41 CO 0.13 -0.34 0.00 0.41 -2.51 0.00 0.00 175.55 173.24 1x52 n GLY 42 N 0.32 -3.33 0.34 5.49 0.00 -0.56 -4.19 105.19 103.26 1x52 n GLY 42 Ca -0.15 -0.98 0.06 0.00 0.00 0.00 0.00 46.02 44.94 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 0.12 -0.84 0.22 0.99 5.85 -1.93 0.20 115.31 119.91 1x52 h LEU 43 Ca 0.00 0.28 0.01 0.00 0.84 0.00 0.00 57.88 59.01 1x52 h LEU 43 Cb 0.00 0.57 -0.04 0.00 0.37 0.00 0.00 40.66 41.57 1x52 h LEU 43 CO 0.00 -0.31 -0.37 0.50 -0.34 0.00 0.00 178.44 177.92 1x52 h LYS 44 N 0.00 -0.64 0.06 1.25 1.63 -1.99 0.16 116.57 117.04 1x52 h LYS 44 Ca 0.46 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 60.31 1x52 h LYS 44 Cb 0.72 0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 32.49 1x52 h LYS 44 CO -0.96 -0.43 -0.06 1.96 -3.45 0.00 0.00 179.45 176.51 1x52 h GLN 45 N -0.67 -0.13 -0.88 1.90 4.20 -1.13 -1.69 115.11 116.71 1x52 h GLN 45 Ca 0.01 0.01 0.18 0.00 0.06 0.00 0.00 58.65 58.91 1x52 h GLN 45 Cb 0.65 0.03 -0.11 0.00 0.30 0.00 0.00 27.48 28.36 1x52 h GLN 45 CO -0.16 -0.09 0.43 0.28 -0.67 0.00 0.00 178.83 178.62 1x52 h VAL 46 N -0.14 0.61 -0.00 -0.54 2.07 -1.27 0.13 116.25 117.11 1x52 h VAL 46 Ca 0.00 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 1x52 h VAL 46 Cb 0.13 0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 29.94 1x52 h VAL 46 CO -0.02 0.10 -0.05 -0.33 0.02 0.00 0.00 177.57 177.29 1x52 h GLU 47 N 0.52 0.00 -0.02 1.57 5.08 0.23 0.21 114.58 122.17 1x52 h GLU 47 Ca 0.51 -0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.77 1x52 h GLU 47 Cb 0.86 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.12 1x52 h GLU 47 CO -0.44 0.05 -0.40 -0.22 -1.00 0.00 0.00 179.01 177.00 1x52 h LYS 48 N 0.00 0.32 -0.06 2.33 1.63 -0.30 -2.61 116.57 117.87 1x52 h LYS 48 Ca 0.00 -0.31 -0.03 0.00 -0.85 0.00 0.00 60.65 59.47 1x52 h LYS 48 Cb 0.09 0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.80 1x52 h LYS 48 CO 0.01 0.99 -0.09 0.00 -3.45 0.00 0.00 179.45 176.91 1x52 h ALA 49 N 0.34 1.75 0.19 5.00 0.00 -0.57 -0.48 119.26 125.49 1x52 h ALA 49 Ca -0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1x52 h ALA 49 Cb 1.11 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1x52 h ALA 49 CO 0.08 0.19 -0.11 -0.97 0.00 0.00 0.00 179.25 178.44 1x52 h ASN 50 N 0.08 -0.28 -0.80 0.00 -0.73 -0.63 -0.87 115.58 112.36 1x52 h ASN 50 Ca 0.02 0.02 0.07 0.00 1.87 0.00 0.00 56.30 58.27 1x52 h ASN 50 Cb 0.21 0.08 -0.05 0.00 0.27 0.00 0.00 38.32 38.83 1x52 h ASN 50 CO 0.01 -0.19 0.52 -0.33 -0.37 0.00 0.00 177.43 177.08 1x52 h GLU 51 N -0.29 0.83 0.00 6.67 5.08 -0.94 -0.83 114.58 125.10 1x52 h GLU 51 Ca -0.02 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1x52 h GLU 51 Cb 0.24 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1x52 h GLU 51 CO 0.02 0.55 0.00 0.00 -1.00 0.00 0.00 179.01 178.58 1x52 n ALA 52 N -2.43 2.16 -2.05 3.43 0.00 -0.27 -4.86 120.51 116.49 1x52 n ALA 52 Ca 0.12 -0.11 -0.15 0.00 0.00 0.00 0.00 53.44 53.31 1x52 n ALA 52 Cb 0.23 -1.36 -0.03 0.00 0.00 0.00 0.00 19.45 18.29 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 -1.25 -1.79 0.01 0.00 2.81 -0.32 -4.86 117.12 111.72 1x52 n MET 53 Ca 0.11 0.77 0.12 0.00 -1.81 0.00 0.00 57.70 56.89 1x52 n MET 53 Cb 0.16 -5.26 0.15 0.00 -0.71 0.00 0.00 33.22 27.56 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 -1.10 3.67 -2.62 3.04 0.00 -0.40 -4.89 120.51 118.20 1x52 n ALA 54 Ca -0.16 -0.39 -0.43 0.00 0.00 0.00 0.00 53.44 52.46 1x52 n ALA 54 Cb 0.58 -1.04 -0.02 0.00 0.00 0.00 0.00 19.45 18.96 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 -3.05 4.54 -0.17 0.00 1.01 -1.26 -0.42 121.20 121.87 1x52 s ILE 55 Ca 0.09 1.83 -0.26 0.00 0.00 0.00 0.00 60.65 62.31 1x52 s ILE 55 Cb 0.16 -4.32 -0.23 0.00 0.01 0.00 0.00 42.46 38.08 1x52 s ILE 55 CO 0.74 -0.32 0.52 -0.78 0.00 0.00 0.00 174.94 175.11 1x52 h ASP 56 N 7.89 0.00 -3.55 3.58 3.58 -1.52 -3.37 116.42 123.02 1x52 h ASP 56 Ca -0.21 -0.78 -0.45 0.00 0.42 0.00 0.00 57.03 56.02 1x52 h ASP 56 Cb 1.07 0.00 -0.33 0.00 1.72 0.00 0.00 39.33 41.79 1x52 h ASP 56 CO 1.01 1.21 -0.79 -0.89 -2.88 0.00 0.00 179.24 176.89 1x52 s THR 57 N -2.28 0.79 -0.14 2.25 2.01 -1.13 -0.17 115.64 116.97 1x52 s THR 57 Ca -0.23 -0.30 -0.03 0.00 0.31 0.00 0.00 61.69 61.44 1x52 s THR 57 Cb 0.01 -0.75 -0.03 0.00 0.01 0.00 0.00 72.50 71.74 1x52 s THR 57 CO 0.64 0.27 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.56 1x52 s LEU 58 N 0.62 3.14 -0.14 4.42 2.96 -0.08 -0.50 118.68 129.10 1x52 s LEU 58 Ca -0.10 -0.16 -0.03 0.00 -0.22 0.00 0.00 54.13 53.62 1x52 s LEU 58 Cb -0.13 -1.74 -0.03 0.00 0.50 0.00 0.00 46.19 44.79 1x52 s LEU 58 CO 0.01 0.19 -0.05 -0.76 -1.32 0.00 0.00 176.35 174.42 1x52 s LEU 59 N 0.25 3.21 -0.02 -0.68 1.43 0.44 -0.58 118.68 122.73 1x52 s LEU 59 Ca -0.04 -0.12 -0.08 0.00 -1.03 0.00 0.00 54.13 52.86 1x52 s LEU 59 Cb -0.14 -1.76 0.01 0.00 0.03 0.00 0.00 46.19 44.33 1x52 s LEU 59 CO 0.03 0.20 0.18 -0.51 0.23 0.00 0.00 176.35 176.48 1x52 s ILE 60 N 0.15 0.05 0.22 -0.59 2.07 -0.82 -1.23 121.20 121.06 1x52 s ILE 60 Ca -0.02 -0.44 -0.30 0.00 -1.41 0.00 0.00 60.65 58.48 1x52 s ILE 60 Cb -0.14 -0.40 -0.09 0.00 0.13 0.00 0.00 42.46 41.96 1x52 s ILE 60 CO 0.03 -0.24 1.39 -0.55 -1.91 0.00 0.00 174.94 173.66 1x52 s SER 61 N -0.88 6.75 0.38 4.50 0.15 -0.30 -0.78 113.70 123.52 1x52 s SER 61 Ca -0.10 2.54 0.13 0.00 0.70 0.00 0.00 55.95 59.23 1x52 s SER 61 Cb -0.05 -2.61 0.96 0.00 -1.71 0.00 0.00 66.02 62.60 1x52 s SER 61 CO 0.01 -0.64 1.83 -2.24 1.20 0.00 0.00 173.24 173.41 1x52 h ASP 62 N 5.38 0.54 -0.68 5.45 2.03 -1.65 -1.01 116.42 126.48 1x52 h ASP 62 Ca -0.45 0.06 0.15 0.00 -0.73 0.00 0.00 57.03 56.05 1x52 h ASP 62 Cb 1.21 -0.04 -0.04 0.00 -0.83 0.00 0.00 39.33 39.63 1x52 h ASP 62 CO 0.79 0.22 0.46 -0.08 -1.03 0.00 0.00 179.24 179.60 1x52 h GLU 63 N 0.54 0.30 0.22 4.15 4.57 -1.90 0.31 114.58 122.77 1x52 h GLU 63 Ca 0.50 -0.02 -0.35 0.00 -1.18 0.00 0.00 59.36 58.31 1x52 h GLU 63 Cb 1.05 -0.07 0.02 0.00 -0.16 0.00 0.00 28.75 29.60 1x52 h GLU 63 CO -0.24 0.20 -1.64 -0.07 -1.18 0.00 0.00 179.01 176.09 1x52 h LEU 64 N 0.31 0.73 -1.84 1.64 3.38 -1.56 -1.18 115.31 116.79 1x52 h LEU 64 Ca 0.33 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.37 1x52 h LEU 64 Cb 0.86 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1x52 h LEU 64 CO -0.08 1.76 0.10 0.15 0.09 0.00 0.00 178.44 180.46 1x52 h PHE 65 N 0.13 0.00 -0.58 1.13 3.57 -0.54 -1.25 116.94 119.40 1x52 h PHE 65 Ca -0.31 0.00 -0.39 0.00 3.53 0.00 0.00 57.97 60.80 1x52 h PHE 65 Cb 2.14 0.00 -0.41 0.00 2.79 0.00 0.00 35.95 40.47 1x52 h PHE 65 CO 0.12 0.00 -0.97 0.54 -2.23 0.00 0.00 178.31 175.77 1x52 n ARG 66 N -2.54 2.65 -1.41 1.11 1.74 0.92 -4.85 116.66 114.27 1x52 n ARG 66 Ca -0.02 -3.82 -0.36 0.00 -0.77 0.00 0.00 57.85 52.88 1x52 n ARG 66 Cb 0.15 -1.93 0.09 0.00 -1.02 0.00 0.00 32.46 29.75 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 -0.65 1.25 0.15 -1.55 -0.00 -0.45 -4.89 115.22 109.09 1x52 n HIS 67 Ca 0.25 0.41 -0.13 0.00 0.46 0.00 0.00 57.72 58.71 1x52 n HIS 67 Cb 0.89 -2.15 -0.08 0.00 -0.12 0.00 0.00 29.99 28.53 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 -0.16 -0.41 -6.31 1.57 3.07 -1.91 -3.42 115.11 107.54 1x52 h GLN 68 Ca -0.48 0.03 -0.54 0.00 0.09 0.00 0.00 58.65 57.75 1x52 h GLN 68 Cb 1.33 0.09 0.01 0.00 0.08 0.00 0.00 27.48 28.99 1x52 h GLN 68 CO 0.49 -0.08 1.16 0.34 0.09 0.00 0.00 178.83 180.83 1x52 s ASP 69 N -5.09 6.56 0.23 0.06 -1.08 -1.26 -4.89 116.67 111.20 1x52 s ASP 69 Ca -0.14 2.46 -0.07 0.00 -0.52 0.00 0.00 52.55 54.28 1x52 s ASP 69 Cb 0.02 -2.53 0.30 0.00 -1.46 0.00 0.00 42.92 39.24 1x52 s ASP 69 CO 0.52 -0.99 1.85 0.58 0.52 0.00 0.00 175.17 177.65 1x52 h VAL 70 N 5.59 1.06 -0.01 1.11 2.07 -1.99 0.12 116.25 124.19 1x52 h VAL 70 Ca -0.44 -0.33 -0.20 0.00 0.82 0.00 0.00 66.70 66.55 1x52 h VAL 70 Cb 1.21 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1x52 h VAL 70 CO 0.95 0.17 -0.86 0.00 0.02 0.00 0.00 177.57 177.85 1x52 h ALA 71 N 1.38 0.49 -0.14 1.67 0.00 -1.96 0.18 119.26 120.88 1x52 h ALA 71 Ca 0.35 -0.69 -0.08 0.00 0.00 0.00 0.00 54.91 54.49 1x52 h ALA 71 Cb 0.13 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1x52 h ALA 71 CO -0.16 0.84 -0.22 1.15 0.00 0.00 0.00 179.25 180.86 1x52 h THR 72 N 0.19 1.36 -0.21 0.00 2.02 -1.87 -1.18 112.91 113.22 1x52 h THR 72 Ca -0.05 -1.46 0.06 0.00 0.77 0.00 0.00 66.41 65.73 1x52 h THR 72 Cb 1.48 1.98 -0.07 0.00 -1.74 0.00 0.00 68.15 69.81 1x52 h THR 72 CO 0.14 0.43 -0.25 -0.09 0.37 0.00 0.00 175.52 176.12 1x52 h ARG 73 N -0.00 -0.27 -0.98 6.66 2.43 -0.77 -2.26 114.38 119.19 1x52 h ARG 73 Ca 0.01 0.02 0.17 0.00 -0.81 0.00 0.00 59.98 59.37 1x52 h ARG 73 Cb 0.79 0.06 -0.10 0.00 -0.42 0.00 0.00 29.97 30.30 1x52 h ARG 73 CO 0.05 -0.18 0.59 1.03 -1.51 0.00 0.00 179.97 179.95 1x52 h SER 74 N -0.28 0.78 0.64 -3.80 0.87 -0.45 -1.11 113.55 110.20 1x52 h SER 74 Ca 0.13 0.09 -0.03 0.00 -1.23 0.00 0.00 61.79 60.74 1x52 h SER 74 Cb 0.47 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.37 1x52 h SER 74 CO -0.37 0.31 -0.37 0.03 -0.53 0.00 0.00 176.83 175.90 1x52 h ARG 75 N 0.79 -0.91 -0.26 2.24 3.08 -0.63 0.87 114.38 119.56 1x52 h ARG 75 Ca 0.54 0.06 0.06 0.00 0.07 0.00 0.00 59.98 60.71 1x52 h ARG 75 Cb 0.77 0.21 -0.05 0.00 0.08 0.00 0.00 29.97 30.97 1x52 h ARG 75 CO -0.36 -0.61 -0.09 1.88 -1.07 0.00 0.00 179.97 179.73 1x52 h TYR 76 N -0.95 -0.20 -0.28 3.04 0.05 -0.99 0.82 116.97 118.46 1x52 h TYR 76 Ca -0.08 0.03 -0.16 0.00 0.05 0.00 0.00 58.73 58.56 1x52 h TYR 76 Cb 0.75 0.13 -0.01 0.00 1.01 0.00 0.00 36.73 38.62 1x52 h TYR 76 CO -0.08 -0.15 -0.46 -0.39 -1.05 0.00 0.00 178.16 176.03 1x52 h VAL 77 N -0.04 1.29 0.02 -2.88 -1.51 -1.16 0.41 116.25 112.38 1x52 h VAL 77 Ca 0.13 -1.66 0.01 0.00 -1.23 0.00 0.00 66.70 63.95 1x52 h VAL 77 Cb 0.24 1.57 -0.01 0.00 -2.13 0.00 0.00 31.29 30.96 1x52 h VAL 77 CO -0.29 0.53 -0.05 0.03 -1.23 0.00 0.00 177.57 176.56 1x52 h ARG 78 N 0.59 -0.09 -0.55 5.19 3.08 -0.51 -0.86 114.38 121.22 1x52 h ARG 78 Ca 0.03 0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 1x52 h ARG 78 Cb 1.03 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.07 1x52 h ARG 78 CO 0.10 -0.06 0.18 1.25 -1.07 0.00 0.00 179.97 180.37 1x52 h LEU 79 N -0.10 0.80 -0.37 3.04 5.85 -0.66 0.17 115.31 124.04 1x52 h LEU 79 Ca 0.01 -0.20 0.08 0.00 0.84 0.00 0.00 57.88 58.61 1x52 h LEU 79 Cb 0.11 -0.21 -0.09 0.00 0.37 0.00 0.00 40.66 40.85 1x52 h LEU 79 CO -0.04 0.79 -0.23 0.58 -0.34 0.00 0.00 178.44 179.20 1x52 h VAL 80 N 0.77 0.37 -0.45 1.05 2.07 -0.78 -0.32 116.25 118.95 1x52 h VAL 80 Ca 0.18 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.64 1x52 h VAL 80 Cb 0.27 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 1x52 h VAL 80 CO -0.01 0.00 0.05 -0.78 0.02 0.00 0.00 177.57 176.85 1x52 h ASP 81 N -0.18 0.74 -0.76 0.57 3.58 -0.47 -2.95 116.42 116.96 1x52 h ASP 81 Ca 0.18 -0.28 0.01 0.00 0.42 0.00 0.00 57.03 57.37 1x52 h ASP 81 Cb 0.46 -0.20 -0.04 0.00 1.72 0.00 0.00 39.33 41.28 1x52 h ASP 81 CO -0.48 0.83 0.50 0.28 -2.88 0.00 0.00 179.24 177.49 1x52 h SER 82 N 0.63 0.86 -0.40 2.28 0.02 -0.39 -1.46 113.55 115.08 1x52 h SER 82 Ca 0.13 -0.02 0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1x52 h SER 82 Cb 0.42 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 1x52 h SER 82 CO 0.01 0.61 0.27 0.58 -1.14 0.00 0.00 176.83 177.16 1x52 h VAL 83 N 1.01 1.09 -0.01 2.27 2.07 -0.88 0.22 116.25 122.02 1x52 h VAL 83 Ca 0.28 -0.18 -0.20 0.00 0.82 0.00 0.00 66.70 67.42 1x52 h VAL 83 Cb -0.09 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 1x52 h VAL 83 CO -0.07 0.10 -0.86 0.11 0.02 0.00 0.00 177.57 176.87 1x52 h LYS 84 N 0.53 0.24 -0.72 1.57 1.57 -1.30 0.23 116.57 118.68 1x52 h LYS 84 Ca 0.15 -0.25 0.06 0.00 -1.87 0.00 0.00 60.65 58.74 1x52 h LYS 84 Cb -0.03 0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.29 1x52 h LYS 84 CO -0.03 0.96 0.41 0.93 -0.57 0.00 0.00 179.45 181.15 1x52 h GLU 85 N 0.14 0.72 -0.92 3.15 4.39 -0.93 -1.79 114.58 119.35 1x52 h GLU 85 Ca -0.05 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.61 1x52 h GLU 85 Cb 1.47 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 1x52 h GLU 85 CO 0.13 0.48 0.00 0.09 -1.16 0.00 0.00 179.01 178.55 1x52 n ASN 86 N -4.76 1.19 0.00 1.42 4.13 -0.01 -4.83 115.26 112.40 1x52 n ASN 86 Ca 0.10 -1.75 0.00 0.00 1.68 0.00 0.00 54.58 54.60 1x52 n ASN 86 Cb 0.19 -0.44 0.00 0.00 -1.54 0.00 0.00 39.78 37.99 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 0.15 0.00 -1.94 5.41 0.00 -0.67 -4.88 120.51 118.58 1x52 n ALA 87 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 1x52 n ALA 87 Cb 0.26 -1.22 0.14 0.00 0.00 0.00 0.00 19.45 18.64 1x52 n ALA 87 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1x52 s GLY 88 N -1.67 1.75 0.08 0.00 0.00 0.77 -4.93 107.32 103.30 1x52 s GLY 88 Ca 0.00 -1.23 0.04 0.00 0.00 0.00 0.00 44.72 43.53 1x52 s GLY 88 CO 0.00 -0.59 0.01 -1.59 0.00 0.00 0.00 173.10 170.94 1x52 s THR 89 N -3.60 4.13 0.06 0.90 2.01 0.76 -3.96 115.64 115.95 1x52 s THR 89 Ca 0.69 -0.90 0.07 0.00 0.31 0.00 0.00 61.69 61.86 1x52 s THR 89 Cb -0.06 -2.96 -0.03 0.00 0.01 0.00 0.00 72.50 69.46 1x52 s THR 89 CO 0.49 0.15 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.73 1x52 s VAL 90 N -1.30 3.02 -0.04 3.82 1.01 -1.26 -0.90 120.40 124.74 1x52 s VAL 90 Ca 0.26 -1.19 -0.02 0.00 0.00 0.00 0.00 61.98 61.03 1x52 s VAL 90 Cb -0.12 -2.32 0.03 0.00 0.00 0.00 0.00 36.38 33.97 1x52 s VAL 90 CO 0.18 0.27 0.05 -0.13 0.00 0.00 0.00 175.10 175.46 1x52 s ARG 91 N -1.68 0.04 -0.25 2.72 1.81 0.26 -4.87 118.95 116.98 1x52 s ARG 91 Ca 0.17 0.30 -0.02 0.00 -1.72 0.00 0.00 55.73 54.46 1x52 s ARG 91 Cb -0.11 -0.54 0.02 0.00 -0.45 0.00 0.00 34.95 33.88 1x52 s ARG 91 CO 0.08 -0.30 -0.05 0.42 -0.68 0.00 0.00 175.30 174.77 1x52 s ILE 92 N 1.95 3.01 0.68 1.52 -1.09 -1.26 -1.93 121.20 124.07 1x52 s ILE 92 Ca 0.02 -0.95 -0.02 0.00 -2.23 0.00 0.00 60.65 57.48 1x52 s ILE 92 Cb -0.12 -2.51 0.09 0.00 -1.58 0.00 0.00 42.46 38.33 1x52 s ILE 92 CO -0.03 0.21 0.95 -0.36 -1.23 0.00 0.00 174.94 174.48 1x52 s PHE 93 N 1.35 2.26 -0.16 3.97 0.40 0.04 -4.87 117.98 120.97 1x52 s PHE 93 Ca 0.01 -0.01 -0.06 0.00 -0.60 0.00 0.00 56.93 56.27 1x52 s PHE 93 Cb -0.16 -3.03 -0.04 0.00 0.51 0.00 0.00 43.02 40.29 1x52 s PHE 93 CO -0.04 -1.45 0.06 -1.12 0.70 0.00 0.00 175.22 173.37 1x52 s SER 94 N -4.60 5.65 0.28 1.36 0.01 -1.26 -1.65 113.70 113.49 1x52 s SER 94 Ca 0.63 0.14 0.02 0.00 1.31 0.00 0.00 55.95 58.05 1x52 s SER 94 Cb -0.08 -1.90 0.68 0.00 0.21 0.00 0.00 66.02 64.93 1x52 s SER 94 CO 0.43 0.24 1.69 -1.28 0.41 0.00 0.00 173.24 174.73 1x52 h SER 95 N 6.24 0.27 1.08 2.44 0.87 -1.93 -1.56 113.55 120.96 1x52 h SER 95 Ca -0.41 0.15 -0.00 0.00 -1.23 0.00 0.00 61.79 60.30 1x52 h SER 95 Cb 1.18 0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 63.28 1x52 h SER 95 CO 0.67 -0.01 -0.02 -0.07 -0.53 0.00 0.00 176.83 176.87 1x52 h LEU 96 N 0.38 0.00-10.27 2.23 -0.00 -1.95 -3.35 115.31 102.35 1x52 h LEU 96 Ca 0.53 0.00 -0.51 0.00 -0.00 0.00 0.00 57.88 57.90 1x52 h LEU 96 Cb 1.00 0.00 0.13 0.00 -0.00 0.00 0.00 40.66 41.79 1x52 h LEU 96 CO -0.53 0.02 0.33 -2.28 -0.00 0.00 0.00 178.44 175.99 1x52 s HIS 97 N -3.64 2.48 0.32 1.13 2.46 -0.59 -4.87 115.29 112.59 1x52 s HIS 97 Ca 0.02 1.58 0.02 0.00 0.47 0.00 0.00 55.06 57.14 1x52 s HIS 97 Cb 0.09 -3.13 0.59 0.00 -0.13 0.00 0.00 32.58 30.00 1x52 s HIS 97 CO 0.56 -1.89 1.93 -0.24 -2.47 0.00 0.00 174.74 172.63 1x52 h VAL 98 N -0.78 1.06 0.00 0.89 3.04 -1.88 0.35 116.25 118.93 1x52 h VAL 98 Ca -0.45 -0.33 -0.02 0.00 -1.01 0.00 0.00 66.70 64.90 1x52 h VAL 98 Cb 1.24 0.03 -0.00 0.00 -2.01 0.00 0.00 31.29 30.55 1x52 h VAL 98 CO 0.51 0.17 -0.09 0.28 -1.01 0.00 0.00 177.57 177.43 1x52 h SER 99 N 0.95 0.00 -0.02 3.17 0.02 -1.91 0.16 113.55 115.92 1x52 h SER 99 Ca 0.36 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 61.10 1x52 h SER 99 Cb 0.20 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.76 1x52 h SER 99 CO -0.13 0.09 -0.82 1.23 -1.14 0.00 0.00 176.83 176.07 1x52 h GLY 100 N 0.81 0.65 0.77 -3.77 0.00 -1.07 0.23 103.07 100.69 1x52 h GLY 100 Ca -0.00 -1.10 0.05 0.00 0.00 0.00 0.00 47.33 46.28 1x52 h GLY 100 CO 0.01 0.98 0.54 0.83 0.00 0.00 0.00 176.54 178.90 1x52 h GLU 101 N 0.18 0.98 -0.28 4.80 5.08 -0.65 -1.81 114.58 122.89 1x52 h GLU 101 Ca -0.10 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.11 1x52 h GLU 101 Cb 1.49 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 1x52 h GLU 101 CO 0.16 0.65 -0.18 1.96 -1.00 0.00 0.00 179.01 180.60 1x52 h GLN 102 N 1.01 0.61 -0.11 2.33 1.08 -0.62 -2.91 115.11 116.51 1x52 h GLN 102 Ca 0.37 -0.29 -0.05 0.00 -1.45 0.00 0.00 58.65 57.23 1x52 h GLN 102 Cb 0.12 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.53 1x52 h GLN 102 CO -0.15 0.88 -0.16 1.25 -0.95 0.00 0.00 178.83 179.69 1x52 h LEU 103 N 0.35 0.16 -1.05 1.46 5.85 -0.84 -2.99 115.31 118.25 1x52 h LEU 103 Ca 0.06 -0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.81 1x52 h LEU 103 Cb 0.72 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.64 1x52 h LEU 103 CO 0.05 0.34 0.63 -1.28 -0.34 0.00 0.00 178.44 177.85 1x52 h SER 104 N 0.16 0.99 0.00 1.25 0.87 -1.12 0.21 113.55 115.91 1x52 h SER 104 Ca 0.03 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1x52 h SER 104 Cb 0.39 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 1x52 h SER 104 CO 0.02 0.62 0.13 0.00 -0.53 0.00 0.00 176.83 177.08 1x52 n GLN 105 N -4.51 0.12 -1.51 2.24 6.02 -1.13 -0.91 117.38 117.70 1x52 n GLN 105 Ca 0.15 0.61 -0.02 0.00 -0.01 0.00 0.00 57.00 57.73 1x52 n GLN 105 Cb 0.21 -2.01 0.09 0.00 1.02 0.00 0.00 30.24 29.55 1x52 n GLN 105 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1x52 n LEU 106 N -2.16 2.59 -0.07 1.08 4.77 0.25 -4.98 117.00 118.49 1x52 n LEU 106 Ca -0.01 -3.47 -0.01 0.00 -0.03 0.00 0.00 56.01 52.49 1x52 n LEU 106 Cb 0.15 -0.19 -0.00 0.00 -2.33 0.00 0.00 43.42 41.05 1x52 n LEU 106 CO 0.08 1.28 -0.01 0.35 -1.33 0.00 0.00 177.39 177.76 1x52 n THR 107 N -0.53 0.00 -1.16 -5.08 -2.24 -0.09 -3.42 114.28 101.75 1x52 n THR 107 Ca 0.19 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.92 1x52 n THR 107 Cb 0.89 -0.77 -0.02 0.00 -2.10 0.00 0.00 70.33 68.32 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 -0.18 0.75 3.05 3.38 0.00 0.48 -4.90 105.19 107.77 1x52 n GLY 108 Ca -0.01 -0.27 -0.12 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.95 -0.05 0.34 1.61 0.11 -1.22 -1.15 120.40 118.08 1x52 s VAL 109 Ca 0.00 0.15 -0.13 0.00 -2.93 0.00 0.00 61.98 59.07 1x52 s VAL 109 Cb 0.00 -0.38 0.03 0.00 -1.53 0.00 0.00 36.38 34.50 1x52 s VAL 109 CO 0.00 0.06 0.67 0.00 -3.33 0.00 0.00 175.10 172.50 1x52 s ALA 110 N 1.30 -0.44 -0.14 1.54 0.00 -0.36 -1.50 121.76 122.16 1x52 s ALA 110 Ca -0.09 -0.85 -0.24 0.00 0.00 0.00 0.00 51.96 50.78 1x52 s ALA 110 Cb -0.11 0.86 0.06 0.00 0.00 0.00 0.00 23.12 23.94 1x52 s ALA 110 CO -0.08 -0.94 0.61 0.00 0.00 0.00 0.00 175.76 175.34 1x52 s ALA 111 N -3.00 -1.53 0.07 0.00 0.00 -0.23 -0.42 121.76 116.65 1x52 s ALA 111 Ca 0.19 1.41 -0.26 0.00 0.00 0.00 0.00 51.96 53.30 1x52 s ALA 111 Cb -0.04 -0.50 -0.06 0.00 0.00 0.00 0.00 23.12 22.53 1x52 s ALA 111 CO 0.12 -0.32 0.80 0.42 0.00 0.00 0.00 175.76 176.78 1x52 s ILE 112 N -0.46 4.64 -0.07 0.00 1.01 0.34 -2.29 121.20 124.37 1x52 s ILE 112 Ca -0.06 1.72 -0.02 0.00 0.00 0.00 0.00 60.65 62.28 1x52 s ILE 112 Cb -0.03 -4.15 -0.04 0.00 0.01 0.00 0.00 42.46 38.25 1x52 s ILE 112 CO 0.05 0.38 0.05 -0.76 0.00 0.00 0.00 174.94 174.65 1x52 s LEU 113 N -0.20 3.81 0.09 2.97 1.43 -0.50 -1.30 118.68 124.97 1x52 s LEU 113 Ca 0.40 0.21 -0.31 0.00 -1.03 0.00 0.00 54.13 53.40 1x52 s LEU 113 Cb -0.21 -1.97 -0.13 0.00 0.03 0.00 0.00 46.19 43.91 1x52 s LEU 113 CO 0.25 0.36 1.62 0.03 0.23 0.00 0.00 176.35 178.84 1x52 h ARG 114 N 4.88 -0.69 -5.88 1.70 3.08 -1.06 -3.46 114.38 112.95 1x52 h ARG 114 Ca -0.51 0.05 -0.52 0.00 0.07 0.00 0.00 59.98 59.07 1x52 h ARG 114 Cb 1.20 0.16 -0.16 0.00 0.08 0.00 0.00 29.97 31.24 1x52 h ARG 114 CO 0.57 -0.46 -0.77 -0.59 -1.07 0.00 0.00 179.97 177.65 1x52 s PHE 115 N -6.01 1.86 -0.18 3.04 -0.12 -1.26 -5.08 117.98 110.22 1x52 s PHE 115 Ca -0.17 -0.48 -0.29 0.00 -0.05 0.00 0.00 56.93 55.94 1x52 s PHE 115 Cb 0.06 -0.89 -0.04 0.00 -0.63 0.00 0.00 43.02 41.52 1x52 s PHE 115 CO 0.63 0.39 1.72 -1.25 -0.05 0.00 0.00 175.22 176.66 1x52 s PRO 116 N -3.12 3.78 -0.08 1.99 0.04 -1.26 -4.71 135.00 131.63 1x52 s PRO 116 Ca 0.20 1.83 -0.30 0.00 0.04 0.00 0.00 61.00 62.77 1x52 s PRO 116 Cb -0.04 -4.08 -0.04 0.00 0.04 0.00 0.00 34.50 30.37 1x52 s PRO 116 CO 0.08 -1.32 1.56 0.08 0.04 0.00 0.00 177.00 177.43 1x52 s VAL 117 N 5.40 3.75 -0.26 -0.36 1.01 -1.07 -4.94 120.40 123.94 1x52 s VAL 117 Ca 0.76 0.91 -0.28 0.00 0.00 0.00 0.00 61.98 63.37 1x52 s VAL 117 Cb -0.28 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 1x52 s VAL 117 CO 0.31 -0.09 1.92 -2.16 0.00 0.00 0.00 175.10 175.09 1x52 s PRO 118 N 3.92 3.38 0.21 2.72 0.04 -1.26 -4.34 135.00 139.68 1x52 s PRO 118 Ca 0.69 1.73 0.00 0.00 0.04 0.00 0.00 61.00 63.46 1x52 s PRO 118 Cb -0.30 -4.23 0.00 0.00 0.04 0.00 0.00 34.50 30.01 1x52 s PRO 118 CO 0.26 -1.81 0.00 0.45 0.04 0.00 0.00 177.00 175.94 1x52 n SER 119 N 10.34 -1.92 0.00 6.66 2.88 -1.26 -5.15 113.62 125.17 1x52 n SER 119 Ca 0.24 0.52 0.00 0.00 -1.33 0.00 0.00 58.87 58.31 1x52 n SER 119 Cb 0.46 2.00 0.00 0.00 -0.75 0.00 0.00 64.21 65.92 1x52 n SER 119 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x52 n GLY 120 N -1.33 3.22 0.23 0.46 0.00 -1.26 -4.97 105.19 101.54 1x52 n GLY 120 Ca 0.00 -1.57 0.11 0.00 0.00 0.00 0.00 46.02 44.56 1x52 n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x52 h PRO 121 N 0.00 0.00 -6.22 1.61 0.13 -1.95 -3.47 132.00 122.10 1x52 h PRO 121 Ca 0.00 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.78 1x52 h PRO 121 Cb 0.00 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.16 1x52 h PRO 121 CO 0.00 0.20 -0.76 0.43 -0.23 0.00 0.00 178.00 177.64 1x52 n SER 122 N -3.41 -5.74 0.00 1.44 7.64 -1.26 -4.86 113.62 107.43 1x52 n SER 122 Ca -0.00 -0.78 0.02 0.00 1.01 0.00 0.00 58.87 59.12 1x52 n SER 122 Cb 0.39 -3.21 0.11 0.00 -1.01 0.00 0.00 64.21 60.49 1x52 n SER 122 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x52 n SER 123 N -2.41 0.02 -0.70 6.43 2.88 -1.26 -5.15 113.62 113.43 1x52 n SER 123 Ca -0.15 0.51 0.09 0.00 -1.33 0.00 0.00 58.87 57.99 1x52 n SER 123 Cb 0.60 -0.51 0.07 0.00 -0.75 0.00 0.00 64.21 63.62 1x52 n SER 123 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42