#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 1.62 0.20 1.61 0.01 -1.26 -5.18 113.70 110.70 1x52 s SER 2 Ca 0.00 -1.49 -0.01 0.00 1.31 0.00 0.00 55.95 55.76 1x52 s SER 2 Cb 0.00 0.28 -0.04 0.00 0.21 0.00 0.00 66.02 66.47 1x52 s SER 2 CO 0.00 -0.81 0.13 -0.44 0.41 0.00 0.00 173.24 172.52 1x52 s SER 3 N -3.39 0.18 -0.28 2.44 0.01 -1.26 -5.08 113.70 106.33 1x52 s SER 3 Ca 0.35 -1.38 -0.01 0.00 1.31 0.00 0.00 55.95 56.22 1x52 s SER 3 Cb 0.06 0.37 0.01 0.00 0.21 0.00 0.00 66.02 66.67 1x52 s SER 3 CO 0.16 -0.83 0.03 0.61 0.41 0.00 0.00 173.24 173.61 1x52 n GLY 4 N -0.27 -4.16 0.15 3.44 0.00 -1.26 -4.92 105.19 98.17 1x52 n GLY 4 Ca 0.02 0.59 -0.08 0.00 0.00 0.00 0.00 46.02 46.54 1x52 n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1x52 h SER 5 N 3.23 -0.33 -6.33 1.61 0.87 -2.04 -3.47 113.55 107.09 1x52 h SER 5 Ca -0.06 0.08 -0.39 0.00 -1.23 0.00 0.00 61.79 60.19 1x52 h SER 5 Cb 0.20 0.18 0.03 0.00 -0.44 0.00 0.00 62.40 62.37 1x52 h SER 5 CO 0.08 -0.13 -0.82 -1.54 -0.53 0.00 0.00 176.83 173.89 1x52 n SER 6 N -5.25 -5.52 -4.78 6.23 3.41 -1.26 -4.99 113.62 101.46 1x52 n SER 6 Ca -0.02 -0.85 -0.36 0.00 -0.26 0.00 0.00 58.87 57.38 1x52 n SER 6 Cb 0.17 -2.96 -0.02 0.00 -0.26 0.00 0.00 64.21 61.15 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 -3.21 2.70 0.26 5.00 0.00 -1.26 -4.97 107.32 105.83 1x52 s GLY 7 Ca 0.22 0.80 0.01 0.00 0.00 0.00 0.00 44.72 45.76 1x52 s GLY 7 CO 0.87 1.21 1.67 -0.84 0.00 0.00 0.00 173.10 176.00 1x52 h THR 8 N 1.79 1.29 -6.76 0.90 2.02 -2.04 -3.47 112.91 106.63 1x52 h THR 8 Ca -0.49 -1.42 -0.50 0.00 0.77 0.00 0.00 66.41 64.76 1x52 h THR 8 Cb 1.24 1.47 -0.00 0.00 -1.74 0.00 0.00 68.15 69.12 1x52 h THR 8 CO 0.60 0.45 -1.07 0.52 0.37 0.00 0.00 175.52 176.39 1x52 n VAL 9 N -4.07 -3.35 0.00 3.16 0.31 -1.26 -4.90 118.33 108.22 1x52 n VAL 9 Ca -0.01 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1x52 n VAL 9 Cb 0.46 -2.89 0.00 0.00 -0.91 0.00 0.00 33.84 30.50 1x52 n VAL 9 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1x52 n ALA 10 N -3.06 2.68 -1.47 3.52 0.00 -1.26 -5.13 120.51 115.79 1x52 n ALA 10 Ca -0.28 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 52.86 1x52 n ALA 10 Cb 0.67 0.00 0.21 0.00 0.00 0.00 0.00 19.45 20.33 1x52 n ALA 10 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1x52 s SER 11 N -2.67 2.07 0.00 0.00 0.15 -1.26 -5.07 113.70 106.93 1x52 s SER 11 Ca 0.00 0.52 0.00 0.00 0.70 0.00 0.00 55.95 57.17 1x52 s SER 11 Cb 0.00 -0.72 0.00 0.00 -1.71 0.00 0.00 66.02 63.59 1x52 s SER 11 CO 0.00 -3.40 0.00 -1.14 1.20 0.00 0.00 173.24 169.90 1x52 n ARG 12 N -4.26 0.00 -3.79 5.44 0.00 -1.26 -5.16 116.66 107.62 1x52 n ARG 12 Ca 0.13 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.86 1x52 n ARG 12 Cb 0.59 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 32.95 1x52 n ARG 12 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.63 177.15 1x52 s LEU 13 N -4.51 1.06 0.20 6.15 0.05 -1.26 -4.96 118.68 115.41 1x52 s LEU 13 Ca 0.00 0.26 0.00 0.00 0.05 0.00 0.00 54.13 54.44 1x52 s LEU 13 Cb 0.00 0.97 0.00 0.00 -2.05 0.00 0.00 46.19 45.11 1x52 s LEU 13 CO 0.00 -0.25 0.00 -0.24 -0.55 0.00 0.00 176.35 175.31 1x52 n SER 14 N 2.16 -0.17 -4.46 1.48 2.88 -1.26 -5.11 113.62 109.13 1x52 n SER 14 Ca -0.17 0.35 -0.23 0.00 -1.33 0.00 0.00 58.87 57.48 1x52 n SER 14 Cb 0.57 0.33 -0.10 0.00 -0.75 0.00 0.00 64.21 64.26 1x52 n SER 14 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1x52 s ASP 15 N -4.95 3.42 0.07 -3.46 1.01 -1.26 -5.01 116.67 106.49 1x52 s ASP 15 Ca 0.00 -1.05 -0.26 0.00 0.71 0.00 0.00 52.55 51.96 1x52 s ASP 15 Cb 0.00 -0.28 -0.16 0.00 1.01 0.00 0.00 42.92 43.49 1x52 s ASP 15 CO 0.00 -0.03 1.65 0.74 0.21 0.00 0.00 175.17 177.75 1x52 h THR 16 N 2.29 0.86 0.20 -1.27 2.02 -2.02 -0.06 112.91 114.94 1x52 h THR 16 Ca -0.40 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 66.67 1x52 h THR 16 Cb 1.25 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 68.58 1x52 h THR 16 CO 0.61 0.03 -0.18 0.11 0.37 0.00 0.00 175.52 176.46 1x52 h LYS 17 N -0.28 -0.39 -0.60 6.66 1.79 -2.00 -2.52 116.57 119.24 1x52 h LYS 17 Ca -0.02 0.03 -0.04 0.00 -2.18 0.00 0.00 60.65 58.44 1x52 h LYS 17 Cb 0.22 0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 30.93 1x52 h LYS 17 CO 0.04 -0.26 0.23 0.00 -1.08 0.00 0.00 179.45 178.38 1x52 h ALA 18 N 0.36 0.78 0.00 3.86 0.00 -1.96 0.16 119.26 122.46 1x52 h ALA 18 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1x52 h ALA 18 Cb 0.37 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1x52 h ALA 18 CO -0.03 0.41 0.00 0.00 0.00 0.00 0.00 179.25 179.63 1x52 h ALA 19 N 1.08 1.00 0.06 0.00 0.00 -0.90 0.25 119.26 120.76 1x52 h ALA 19 Ca 0.20 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1x52 h ALA 19 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1x52 h ALA 19 CO -0.01 0.00 -0.03 0.78 0.00 0.00 0.00 179.25 179.99 1x52 h GLY 20 N 1.04 -0.09 0.87 0.00 0.00 -0.57 -3.19 103.07 101.12 1x52 h GLY 20 Ca 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 1x52 h GLY 20 CO 0.00 -0.03 -0.07 0.83 0.00 0.00 0.00 176.54 177.27 1x52 h GLU 21 N -0.93 -0.19 -0.32 4.80 3.07 -0.68 -2.95 114.58 117.38 1x52 h GLU 21 Ca -0.01 0.01 0.05 0.00 -0.50 0.00 0.00 59.36 58.91 1x52 h GLU 21 Cb 0.58 0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 28.49 1x52 h GLU 21 CO 0.01 -0.02 0.04 0.28 -1.40 0.00 0.00 179.01 177.93 1x52 h VAL 22 N -0.34 0.82 -0.35 3.13 2.07 -0.71 -0.19 116.25 120.68 1x52 h VAL 22 Ca -0.02 -0.05 0.06 0.00 0.82 0.00 0.00 66.70 67.51 1x52 h VAL 22 Cb 0.27 0.66 -0.06 0.00 -1.52 0.00 0.00 31.29 30.64 1x52 h VAL 22 CO 0.03 0.03 0.01 0.50 0.02 0.00 0.00 177.57 178.16 1x52 h LYS 23 N 0.15 0.10 -0.62 1.57 3.11 -1.53 0.92 116.57 120.28 1x52 h LYS 23 Ca 0.15 -0.01 -0.03 0.00 -2.81 0.00 0.00 60.65 57.95 1x52 h LYS 23 Cb 0.18 -0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 31.36 1x52 h LYS 23 CO -0.21 0.07 0.25 0.00 -2.81 0.00 0.00 179.45 176.75 1x52 h ALA 24 N 1.30 0.80 -0.24 5.00 0.00 -1.28 -1.05 119.26 123.79 1x52 h ALA 24 Ca 0.17 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1x52 h ALA 24 Cb 0.23 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1x52 h ALA 24 CO -0.28 0.41 0.05 1.25 0.00 0.00 0.00 179.25 180.68 1x52 h LEU 25 N 0.86 0.02 0.28 0.00 5.85 -0.13 -1.38 115.31 120.80 1x52 h LEU 25 Ca 0.21 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 1x52 h LEU 25 Cb 0.19 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.27 1x52 h LEU 25 CO -0.02 0.04 -0.14 -0.78 -0.34 0.00 0.00 178.44 177.21 1x52 h ASP 26 N 0.14 -0.32 -0.41 1.25 1.82 -0.67 -0.10 116.42 118.13 1x52 h ASP 26 Ca 0.11 -0.04 -0.09 0.00 -0.39 0.00 0.00 57.03 56.62 1x52 h ASP 26 Cb 0.11 0.08 -0.02 0.00 0.68 0.00 0.00 39.33 40.18 1x52 h ASP 26 CO -0.14 -0.17 -0.07 -0.78 -1.61 0.00 0.00 179.24 176.47 1x52 h ASP 27 N -0.45 0.83 0.63 2.28 1.82 -1.16 0.10 116.42 120.47 1x52 h ASP 27 Ca -0.04 -0.24 -0.03 0.00 -0.39 0.00 0.00 57.03 56.34 1x52 h ASP 27 Cb 0.34 -0.22 -0.00 0.00 0.68 0.00 0.00 39.33 40.13 1x52 h ASP 27 CO 0.06 0.93 -0.35 0.15 -1.61 0.00 0.00 179.24 178.42 1x52 h PHE 28 N 0.77 -0.93 -0.24 0.28 3.04 -1.18 -2.74 116.94 115.93 1x52 h PHE 28 Ca 0.14 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.06 1x52 h PHE 28 Cb 0.56 0.32 -0.01 0.00 2.56 0.00 0.00 35.95 39.38 1x52 h PHE 28 CO 0.03 -0.55 0.11 1.88 -2.02 0.00 0.00 178.31 177.77 1x52 h TYR 29 N -0.92 0.32 -0.13 0.41 0.05 -0.28 -0.03 116.97 116.39 1x52 h TYR 29 Ca -0.08 -0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.73 1x52 h TYR 29 Cb 0.73 -0.11 -0.07 0.00 1.01 0.00 0.00 36.73 38.30 1x52 h TYR 29 CO -0.07 0.25 -0.51 -0.22 -1.05 0.00 0.00 178.16 176.55 1x52 h LYS 30 N 0.34 -0.55 -0.92 4.88 3.64 -0.73 -1.83 116.57 121.39 1x52 h LYS 30 Ca 0.09 0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1x52 h LYS 30 Cb 0.04 0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 31.94 1x52 h LYS 30 CO -0.01 -0.36 0.60 0.52 -2.27 0.00 0.00 179.45 177.92 1x52 h MET 31 N -0.57 1.22 -0.00 1.90 2.86 -0.94 0.34 114.93 119.73 1x52 h MET 31 Ca 0.04 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1x52 h MET 31 Cb 0.67 -0.27 -0.00 0.00 0.06 0.00 0.00 31.60 32.06 1x52 h MET 31 CO -0.43 0.81 0.05 1.25 1.06 0.00 0.00 176.91 179.65 1x52 h LEU 32 N 1.25 0.00 0.00 1.22 5.85 -0.26 0.15 115.31 123.52 1x52 h LEU 32 Ca 0.33 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.80 1x52 h LEU 32 Cb -0.13 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 1x52 h LEU 32 CO -0.07 0.00 -1.64 0.00 -0.34 0.00 0.00 178.44 176.39 1x52 n GLN 33 N -3.09 0.55 0.16 1.25 1.13 -0.80 -4.58 117.38 111.99 1x52 n GLN 33 Ca -0.03 0.37 -0.06 0.00 -1.94 0.00 0.00 57.00 55.34 1x52 n GLN 33 Cb 0.11 -1.57 -0.03 0.00 0.11 0.00 0.00 30.24 28.86 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 -0.38 -2.03 1.08 3.86 -0.49 -3.43 115.15 112.77 1x52 h HIS 34 Ca -0.38 -0.01 -0.47 0.00 -1.16 0.00 0.00 60.37 58.35 1x52 h HIS 34 Cb 1.27 0.12 -0.33 0.00 1.06 0.00 0.00 27.41 29.54 1x52 h HIS 34 CO -0.13 -0.23 -0.85 -1.83 0.86 0.00 0.00 177.93 175.75 1x52 s GLU 35 N -3.56 0.92 0.00 2.45 -1.05 0.45 -5.01 118.70 112.90 1x52 s GLU 35 Ca -0.06 -1.78 0.03 0.00 -0.15 0.00 0.00 54.97 53.01 1x52 s GLU 35 Cb 0.01 -1.05 0.15 0.00 -0.44 0.00 0.00 34.13 32.79 1x52 s GLU 35 CO 0.18 -1.36 0.95 -0.35 0.95 0.00 0.00 175.26 175.63 1x52 n PRO 36 N 2.97 0.04 0.18 -4.83 -0.04 -0.70 -1.28 135.00 131.35 1x52 n PRO 36 Ca 0.26 0.29 0.18 0.00 -0.04 0.00 0.00 63.50 64.19 1x52 n PRO 36 Cb 0.49 -1.50 0.81 0.00 -0.04 0.00 0.00 33.50 33.27 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 -0.44 3.54 3.32 -1.90 -1.79 116.42 119.15 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 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 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 -3.68 3.21 -3.66 3.56 1.74 -0.40 -3.12 116.66 114.30 1x52 n ARG 38 Ca 0.03 -2.59 -0.29 0.00 -0.77 0.00 0.00 57.85 54.23 1x52 n ARG 38 Cb 0.42 -1.66 -0.13 0.00 -1.02 0.00 0.00 32.46 30.06 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 -1.81 1.71 -0.10 7.54 0.00 -0.67 -1.53 121.76 126.89 1x52 s ALA 39 Ca 0.39 -2.18 -0.16 0.00 0.00 0.00 0.00 51.96 50.02 1x52 s ALA 39 Cb 0.26 -1.75 -0.05 0.00 0.00 0.00 0.00 23.12 21.58 1x52 s ALA 39 CO 0.17 -1.96 0.39 -0.06 0.00 0.00 0.00 175.76 174.30 1x52 s PHE 40 N 0.86 3.55 0.10 0.00 0.40 -0.73 -4.91 117.98 117.26 1x52 s PHE 40 Ca 0.15 0.82 -0.01 0.00 -0.60 0.00 0.00 56.93 57.29 1x52 s PHE 40 Cb -0.22 -2.41 -0.04 0.00 0.51 0.00 0.00 43.02 40.86 1x52 s PHE 40 CO -0.07 0.32 0.02 1.52 0.70 0.00 0.00 175.22 177.72 1x52 s TYR 41 N 0.11 0.75 0.00 0.36 1.13 -1.26 -0.52 117.35 117.92 1x52 s TYR 41 Ca 0.22 -1.17 0.00 0.00 -1.41 0.00 0.00 57.07 54.71 1x52 s TYR 41 Cb -0.15 -0.45 0.00 0.00 -1.10 0.00 0.00 41.96 40.26 1x52 s TYR 41 CO 0.09 -0.47 0.00 0.41 -2.51 0.00 0.00 175.55 173.07 1x52 n GLY 42 N -0.03 -2.68 0.34 5.49 0.00 -0.67 -4.19 105.19 103.45 1x52 n GLY 42 Ca -0.08 -0.92 0.13 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.50 0.11 0.99 5.85 -1.93 0.82 115.31 120.65 1x52 h LEU 43 Ca 0.00 0.28 0.02 0.00 0.84 0.00 0.00 57.88 59.02 1x52 h LEU 43 Cb 0.00 0.49 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 1x52 h LEU 43 CO 0.00 -0.34 -0.32 0.50 -0.34 0.00 0.00 178.44 177.94 1x52 h LYS 44 N 0.02 -0.52 0.67 1.25 1.63 -1.98 0.68 116.57 118.32 1x52 h LYS 44 Ca 0.58 0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 60.39 1x52 h LYS 44 Cb 1.17 0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.92 1x52 h LYS 44 CO -0.91 -0.35 -0.37 1.96 -3.45 0.00 0.00 179.45 176.33 1x52 h GLN 45 N -0.54 -0.93 -0.90 1.90 4.20 -1.02 -2.88 115.11 114.94 1x52 h GLN 45 Ca 0.03 0.06 0.18 0.00 0.06 0.00 0.00 58.65 58.98 1x52 h GLN 45 Cb 0.58 0.21 -0.10 0.00 0.30 0.00 0.00 27.48 28.46 1x52 h GLN 45 CO -0.20 -0.62 0.47 0.28 -0.67 0.00 0.00 178.83 178.09 1x52 h VAL 46 N -0.97 0.66 -0.56 -0.54 2.07 -1.28 0.11 116.25 115.74 1x52 h VAL 46 Ca -0.09 -0.21 0.09 0.00 0.82 0.00 0.00 66.70 67.31 1x52 h VAL 46 Cb 0.77 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 1x52 h VAL 46 CO 0.12 0.11 0.38 -0.33 0.02 0.00 0.00 177.57 177.86 1x52 h GLU 47 N 0.60 0.39 0.07 1.57 5.08 -0.66 0.18 114.58 121.81 1x52 h GLU 47 Ca 0.52 -0.02 -0.22 0.00 -1.00 0.00 0.00 59.36 58.63 1x52 h GLU 47 Cb 0.82 -0.09 0.02 0.00 0.50 0.00 0.00 28.75 30.00 1x52 h GLU 47 CO -0.41 0.26 -0.91 -0.22 -1.00 0.00 0.00 179.01 176.73 1x52 h LYS 48 N 0.40 0.50 -0.14 2.33 1.63 -0.64 -3.16 116.57 117.48 1x52 h LYS 48 Ca 0.25 -0.63 -0.07 0.00 -0.85 0.00 0.00 60.65 59.36 1x52 h LYS 48 Cb 0.48 0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 32.29 1x52 h LYS 48 CO -0.07 1.25 -0.20 0.00 -3.45 0.00 0.00 179.45 176.98 1x52 h ALA 49 N 0.27 1.39 -0.03 5.00 0.00 -0.48 -1.02 119.26 124.39 1x52 h ALA 49 Ca -0.13 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.54 1x52 h ALA 49 Cb 1.62 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.30 1x52 h ALA 49 CO 0.18 0.42 -0.10 -0.97 0.00 0.00 0.00 179.25 178.78 1x52 h ASN 50 N 0.23 -0.29 -0.07 0.00 -0.73 -1.09 -2.17 115.58 111.46 1x52 h ASN 50 Ca 0.04 0.05 -0.01 0.00 1.87 0.00 0.00 56.30 58.25 1x52 h ASN 50 Cb 0.50 0.13 -0.01 0.00 0.27 0.00 0.00 38.32 39.21 1x52 h ASN 50 CO 0.03 -0.14 0.02 -0.33 -0.37 0.00 0.00 177.43 176.64 1x52 h GLU 51 N -0.16 0.16 0.00 6.67 5.08 -1.32 0.23 114.58 125.25 1x52 h GLU 51 Ca 0.05 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1x52 h GLU 51 Cb 0.22 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1x52 h GLU 51 CO -0.12 0.16 0.00 0.00 -1.00 0.00 0.00 179.01 178.05 1x52 n ALA 52 N -2.51 1.92 -1.66 3.43 0.00 -0.46 -4.88 120.51 116.34 1x52 n ALA 52 Ca -0.01 -0.07 -0.19 0.00 0.00 0.00 0.00 53.44 53.17 1x52 n ALA 52 Cb 0.13 -1.32 -0.07 0.00 0.00 0.00 0.00 19.45 18.19 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 -1.46 -1.32 0.06 0.00 2.81 0.07 -4.89 117.12 112.39 1x52 n MET 53 Ca 0.06 1.12 0.12 0.00 -1.81 0.00 0.00 57.70 57.18 1x52 n MET 53 Cb 0.22 -5.44 0.08 0.00 -0.71 0.00 0.00 33.22 27.36 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 0.88 2.94 -2.15 3.04 0.00 -0.85 -4.88 120.51 119.48 1x52 n ALA 54 Ca -0.19 -0.29 -0.43 0.00 0.00 0.00 0.00 53.44 52.53 1x52 n ALA 54 Cb 0.62 -1.10 -0.02 0.00 0.00 0.00 0.00 19.45 18.95 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 -3.23 3.73 -0.12 0.00 1.01 -1.25 -0.16 121.20 121.18 1x52 s ILE 55 Ca 0.04 0.81 -0.13 0.00 0.00 0.00 0.00 60.65 61.36 1x52 s ILE 55 Cb 0.13 -3.80 -0.12 0.00 0.01 0.00 0.00 42.46 38.68 1x52 s ILE 55 CO 0.76 -0.38 0.35 -0.78 0.00 0.00 0.00 174.94 174.90 1x52 h ASP 56 N 10.88 0.00 -3.48 3.58 3.58 -1.55 -3.35 116.42 126.08 1x52 h ASP 56 Ca -0.32 -0.46 -0.35 0.00 0.42 0.00 0.00 57.03 56.32 1x52 h ASP 56 Cb 1.14 0.00 -0.34 0.00 1.72 0.00 0.00 39.33 41.85 1x52 h ASP 56 CO 1.02 0.73 -0.75 -0.89 -2.88 0.00 0.00 179.24 176.47 1x52 s THR 57 N -1.86 0.15 -0.14 2.25 2.01 -1.21 -0.40 115.64 116.45 1x52 s THR 57 Ca -0.09 0.12 -0.02 0.00 0.31 0.00 0.00 61.69 62.01 1x52 s THR 57 Cb -0.01 -0.26 -0.02 0.00 0.01 0.00 0.00 72.50 72.21 1x52 s THR 57 CO 0.32 0.15 -0.07 -0.22 -0.69 0.00 0.00 174.62 174.11 1x52 s LEU 58 N 1.13 3.09 -0.17 4.42 2.96 -0.45 -0.62 118.68 129.05 1x52 s LEU 58 Ca -0.08 -0.17 -0.01 0.00 -0.22 0.00 0.00 54.13 53.65 1x52 s LEU 58 Cb -0.13 -1.72 -0.00 0.00 0.50 0.00 0.00 46.19 44.83 1x52 s LEU 58 CO -0.02 0.19 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.31 1x52 s LEU 59 N 0.22 2.60 -0.00 -0.68 1.43 0.40 -0.23 118.68 122.41 1x52 s LEU 59 Ca -0.04 -0.44 -0.01 0.00 -1.03 0.00 0.00 54.13 52.61 1x52 s LEU 59 Cb -0.14 -1.61 -0.00 0.00 0.03 0.00 0.00 46.19 44.47 1x52 s LEU 59 CO 0.04 0.07 0.03 -0.51 0.23 0.00 0.00 176.35 176.20 1x52 s ILE 60 N 0.91 0.04 0.25 -0.59 2.07 -0.59 -0.78 121.20 122.52 1x52 s ILE 60 Ca -0.03 -0.36 -0.30 0.00 -1.41 0.00 0.00 60.65 58.56 1x52 s ILE 60 Cb -0.15 -0.16 -0.10 0.00 0.13 0.00 0.00 42.46 42.19 1x52 s ILE 60 CO -0.01 -0.20 1.32 -0.55 -1.91 0.00 0.00 174.94 173.60 1x52 s SER 61 N -0.59 6.84 0.39 4.50 0.15 -0.23 -0.64 113.70 124.12 1x52 s SER 61 Ca -0.07 2.53 0.12 0.00 0.70 0.00 0.00 55.95 59.24 1x52 s SER 61 Cb -0.04 -2.62 0.93 0.00 -1.71 0.00 0.00 66.02 62.58 1x52 s SER 61 CO -0.00 -0.54 1.90 -2.24 1.20 0.00 0.00 173.24 173.56 1x52 h ASP 62 N 4.63 0.52 0.22 5.45 3.04 -1.39 -1.24 116.42 127.65 1x52 h ASP 62 Ca -0.46 0.03 0.00 0.00 -3.24 0.00 0.00 57.03 53.36 1x52 h ASP 62 Cb 1.22 -0.07 0.00 0.00 -1.04 0.00 0.00 39.33 39.43 1x52 h ASP 62 CO 0.73 0.27 0.00 1.05 -2.04 0.00 0.00 179.24 179.25 1x52 h GLU 63 N 0.55 0.00 0.07 4.15 4.11 -1.87 0.73 114.58 122.31 1x52 h GLU 63 Ca 0.40 0.00 -0.37 0.00 0.07 0.00 0.00 59.36 59.46 1x52 h GLU 63 Cb 0.76 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.97 1x52 h GLU 63 CO -0.15 0.00 -2.18 1.28 0.07 0.00 0.00 179.01 178.03 1x52 n LEU 64 N -2.45 2.72 -0.09 3.06 4.77 -0.52 -2.42 117.00 122.06 1x52 n LEU 64 Ca -0.01 0.09 0.25 0.00 -0.03 0.00 0.00 56.01 56.31 1x52 n LEU 64 Cb 0.10 -1.02 0.72 0.00 -2.33 0.00 0.00 43.42 40.88 1x52 n LEU 64 CO 0.15 0.85 1.23 0.15 -1.33 0.00 0.00 177.39 178.44 1x52 h PHE 65 N -0.04 0.00 -1.43 -1.77 3.57 -0.63 -0.77 116.94 115.87 1x52 h PHE 65 Ca -0.49 0.00 -0.51 0.00 3.53 0.00 0.00 57.97 60.49 1x52 h PHE 65 Cb 1.94 0.00 -0.41 0.00 2.79 0.00 0.00 35.95 40.26 1x52 h PHE 65 CO 0.05 0.00 -0.89 2.89 -2.23 0.00 0.00 178.31 178.13 1x52 n ARG 66 N -4.20 2.60 -1.69 1.11 1.85 0.11 -4.71 116.66 111.73 1x52 n ARG 66 Ca 0.15 -4.09 -0.38 0.00 -1.00 0.00 0.00 57.85 52.52 1x52 n ARG 66 Cb 0.82 -1.91 0.05 0.00 -1.05 0.00 0.00 32.46 30.38 1x52 n ARG 66 CO 0.00 0.00 0.00 1.58 -0.01 0.00 0.00 177.63 179.20 1x52 n HIS 67 N -0.30 1.68 -0.30 2.89 -0.00 -0.30 -4.82 115.22 114.07 1x52 n HIS 67 Ca 0.28 0.44 -0.02 0.00 0.46 0.00 0.00 57.72 58.88 1x52 n HIS 67 Cb 0.69 -2.26 0.15 0.00 -0.12 0.00 0.00 29.99 28.45 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 0.88 1.18 -5.83 1.57 3.07 -1.91 -3.40 115.11 110.66 1x52 h GLN 68 Ca -0.50 -0.10 -0.60 0.00 0.09 0.00 0.00 58.65 57.54 1x52 h GLN 68 Cb 1.34 -0.25 -0.10 0.00 0.08 0.00 0.00 27.48 28.55 1x52 h GLN 68 CO 0.54 0.82 0.45 0.34 0.09 0.00 0.00 178.83 181.07 1x52 s ASP 69 N -6.26 6.70 0.44 0.06 2.15 -1.26 -4.96 116.67 113.54 1x52 s ASP 69 Ca -0.12 0.72 0.12 0.00 0.43 0.00 0.00 52.55 53.69 1x52 s ASP 69 Cb 0.17 -2.42 1.01 0.00 -0.30 0.00 0.00 42.92 41.38 1x52 s ASP 69 CO 0.81 -0.64 2.04 0.58 -0.17 0.00 0.00 175.17 177.80 1x52 h VAL 70 N 5.60 1.00 0.27 1.11 2.07 -1.98 0.21 116.25 124.52 1x52 h VAL 70 Ca -0.24 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 1x52 h VAL 70 Cb 1.09 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 1x52 h VAL 70 CO 0.90 0.07 -0.13 0.00 0.02 0.00 0.00 177.57 178.43 1x52 h ALA 71 N 1.77 -0.36 -0.18 1.67 0.00 -1.95 0.80 119.26 121.00 1x52 h ALA 71 Ca 0.17 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1x52 h ALA 71 Cb 0.20 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1x52 h ALA 71 CO -0.04 -0.63 0.09 1.15 0.00 0.00 0.00 179.25 179.81 1x52 h THR 72 N -0.49 1.00 -0.30 0.00 2.02 -1.87 -2.75 112.91 110.51 1x52 h THR 72 Ca -0.04 -0.07 0.07 0.00 0.77 0.00 0.00 66.41 67.14 1x52 h THR 72 Cb 0.37 0.79 -0.07 0.00 -1.74 0.00 0.00 68.15 67.50 1x52 h THR 72 CO 0.06 0.04 -0.13 -0.09 0.37 0.00 0.00 175.52 175.77 1x52 h ARG 73 N 0.19 -0.08 -0.89 6.66 2.43 -0.50 -1.53 114.38 120.68 1x52 h ARG 73 Ca 0.07 0.01 0.16 0.00 -0.81 0.00 0.00 59.98 59.41 1x52 h ARG 73 Cb 0.02 0.02 -0.10 0.00 -0.42 0.00 0.00 29.97 29.48 1x52 h ARG 73 CO -0.05 -0.05 0.47 0.77 -1.51 0.00 0.00 179.97 179.60 1x52 h SER 74 N -0.08 0.57 0.33 -3.80 0.02 -0.60 -0.18 113.55 109.82 1x52 h SER 74 Ca 0.15 0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 61.20 1x52 h SER 74 Cb 0.31 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 1x52 h SER 74 CO -0.35 0.22 -0.31 0.03 -1.14 0.00 0.00 176.83 175.28 1x52 h ARG 75 N 0.64 -0.64 0.31 3.45 3.08 -1.00 0.29 114.38 120.51 1x52 h ARG 75 Ca 0.49 0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.58 1x52 h ARG 75 Cb 0.73 0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.91 1x52 h ARG 75 CO -0.38 -0.43 -0.27 1.88 -1.07 0.00 0.00 179.97 179.70 1x52 h TYR 76 N -0.66 -0.72 -0.15 3.04 0.05 -1.32 -0.66 116.97 116.55 1x52 h TYR 76 Ca -0.02 0.00 0.05 0.00 0.05 0.00 0.00 58.73 58.81 1x52 h TYR 76 Cb 0.60 0.27 -0.06 0.00 1.01 0.00 0.00 36.73 38.55 1x52 h TYR 76 CO -0.18 -0.40 -0.31 0.28 -1.05 0.00 0.00 178.16 176.51 1x52 h VAL 77 N -0.60 0.30 -0.71 -2.88 2.07 -0.75 0.16 116.25 113.85 1x52 h VAL 77 Ca -0.02 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.43 1x52 h VAL 77 Cb 0.53 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 1x52 h VAL 77 CO -0.03 0.00 0.18 0.03 0.02 0.00 0.00 177.57 177.76 1x52 h ARG 78 N -0.37 1.13 -0.45 1.57 3.08 -0.36 -0.56 114.38 118.41 1x52 h ARG 78 Ca 0.10 -0.27 -0.11 0.00 0.07 0.00 0.00 59.98 59.78 1x52 h ARG 78 Cb 0.53 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 1x52 h ARG 78 CO -0.36 0.99 -0.13 1.25 -1.07 0.00 0.00 179.97 180.64 1x52 h LEU 79 N 1.06 0.90 -0.35 3.04 5.85 -0.62 0.92 115.31 126.11 1x52 h LEU 79 Ca 0.22 -0.37 0.06 0.00 0.84 0.00 0.00 57.88 58.63 1x52 h LEU 79 Cb 0.37 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.09 1x52 h LEU 79 CO 0.00 1.07 0.00 0.58 -0.34 0.00 0.00 178.44 179.75 1x52 h VAL 80 N 0.72 0.74 -0.70 1.05 2.07 -0.42 -0.77 116.25 118.94 1x52 h VAL 80 Ca 0.11 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 1x52 h VAL 80 Cb 0.69 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 1x52 h VAL 80 CO 0.05 0.02 0.39 0.44 0.02 0.00 0.00 177.57 178.49 1x52 h ASP 81 N 0.10 0.87 0.12 0.57 3.32 -0.73 -2.77 116.42 117.90 1x52 h ASP 81 Ca 0.17 -0.09 -0.07 0.00 0.02 0.00 0.00 57.03 57.06 1x52 h ASP 81 Cb 0.24 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1x52 h ASP 81 CO -0.28 0.71 -0.25 0.28 -1.72 0.00 0.00 179.24 177.97 1x52 h SER 82 N 0.96 0.23 -0.62 6.45 0.02 -0.45 -2.70 113.55 117.44 1x52 h SER 82 Ca 0.25 -0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 61.09 1x52 h SER 82 Cb 0.03 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.48 1x52 h SER 82 CO -0.04 0.49 0.23 0.58 -1.14 0.00 0.00 176.83 176.96 1x52 h VAL 83 N 0.21 1.23 -0.49 2.27 2.07 -0.85 -2.41 116.25 118.28 1x52 h VAL 83 Ca 0.03 -0.77 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 1x52 h VAL 83 Cb 0.57 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 1x52 h VAL 83 CO 0.04 0.30 0.26 0.11 0.02 0.00 0.00 177.57 178.31 1x52 h LYS 84 N 0.95 0.69 -0.92 1.57 1.57 -1.45 0.37 116.57 119.35 1x52 h LYS 84 Ca 0.22 -0.09 0.13 0.00 -1.87 0.00 0.00 60.65 59.04 1x52 h LYS 84 Cb 0.22 -0.13 -0.07 0.00 0.08 0.00 0.00 32.23 32.33 1x52 h LYS 84 CO -0.01 0.55 0.59 0.93 -0.57 0.00 0.00 179.45 180.94 1x52 h GLU 85 N 0.65 0.77 -0.65 3.15 4.39 -1.42 -1.62 114.58 119.86 1x52 h GLU 85 Ca 0.17 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.83 1x52 h GLU 85 Cb 0.07 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.54 1x52 h GLU 85 CO -0.03 0.51 0.00 0.09 -1.16 0.00 0.00 179.01 178.42 1x52 n ASN 86 N -4.58 3.84 0.00 1.42 4.13 -0.70 -4.91 115.26 114.47 1x52 n ASN 86 Ca 0.18 -2.45 0.00 0.00 1.68 0.00 0.00 54.58 53.99 1x52 n ASN 86 Cb 0.42 -0.54 0.00 0.00 -1.54 0.00 0.00 39.78 38.12 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 0.62 0.00 -2.37 5.41 0.00 -0.61 -4.84 120.51 118.73 1x52 n ALA 87 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.32 1x52 n ALA 87 Cb 0.77 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.17 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 -1.58 2.07 0.47 0.00 0.00 0.04 -4.97 107.32 103.34 1x52 s GLY 88 Ca 0.00 -0.32 -0.18 0.00 0.00 0.00 0.00 44.72 44.22 1x52 s GLY 88 CO 0.00 -0.17 0.95 -1.59 0.00 0.00 0.00 173.10 172.29 1x52 s THR 89 N -2.04 4.48 -0.04 0.90 2.01 0.47 -4.01 115.64 117.40 1x52 s THR 89 Ca 0.48 1.32 0.06 0.00 0.31 0.00 0.00 61.69 63.86 1x52 s THR 89 Cb -0.11 -3.66 -0.02 0.00 0.01 0.00 0.00 72.50 68.72 1x52 s THR 89 CO 0.26 -0.49 -0.21 -0.69 -0.69 0.00 0.00 174.62 172.79 1x52 s VAL 90 N -2.39 2.44 -0.10 3.82 1.01 -1.26 -1.34 120.40 122.59 1x52 s VAL 90 Ca 0.60 -0.96 -0.00 0.00 0.00 0.00 0.00 61.98 61.62 1x52 s VAL 90 Cb -0.09 -1.89 0.02 0.00 0.00 0.00 0.00 36.38 34.41 1x52 s VAL 90 CO 0.22 0.58 -0.07 -0.13 0.00 0.00 0.00 175.10 175.71 1x52 s ARG 91 N -0.61 1.37 -0.33 2.72 1.81 0.68 -4.91 118.95 119.68 1x52 s ARG 91 Ca 0.09 -0.21 -0.03 0.00 -1.72 0.00 0.00 55.73 53.86 1x52 s ARG 91 Cb -0.11 -1.43 0.06 0.00 -0.45 0.00 0.00 34.95 33.02 1x52 s ARG 91 CO -0.00 -0.23 0.07 0.42 -0.68 0.00 0.00 175.30 174.88 1x52 s ILE 92 N 1.59 3.25 0.20 1.52 -1.09 -1.26 -1.53 121.20 123.88 1x52 s ILE 92 Ca 0.02 -1.44 -0.12 0.00 -2.23 0.00 0.00 60.65 56.87 1x52 s ILE 92 Cb -0.13 -2.93 -0.07 0.00 -1.58 0.00 0.00 42.46 37.75 1x52 s ILE 92 CO -0.06 -0.23 0.57 -0.36 -1.23 0.00 0.00 174.94 173.62 1x52 s PHE 93 N 1.27 3.50 0.21 3.97 0.40 0.19 -4.83 117.98 122.68 1x52 s PHE 93 Ca -0.02 0.99 -0.30 0.00 -0.60 0.00 0.00 56.93 57.00 1x52 s PHE 93 Cb -0.20 -2.33 -0.08 0.00 0.51 0.00 0.00 43.02 40.91 1x52 s PHE 93 CO -0.01 0.32 1.18 -1.12 0.70 0.00 0.00 175.22 176.29 1x52 s SER 94 N -2.08 7.12 0.00 1.36 0.01 -1.26 -0.99 113.70 117.86 1x52 s SER 94 Ca 0.44 2.25 0.09 0.00 1.31 0.00 0.00 55.95 60.04 1x52 s SER 94 Cb -0.13 -2.61 0.56 0.00 0.21 0.00 0.00 66.02 64.05 1x52 s SER 94 CO 0.20 -0.32 1.05 -0.24 0.41 0.00 0.00 173.24 174.33 1x52 n SER 95 N 2.17 0.00 0.00 2.44 2.88 -1.26 -3.37 113.62 116.48 1x52 n SER 95 Ca 0.03 -0.86 0.00 0.00 -1.33 0.00 0.00 58.87 56.71 1x52 n SER 95 Cb 0.45 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 1x52 n SER 95 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1x52 n LEU 96 N -0.75 0.85 -4.81 2.46 4.77 -1.26 -4.79 117.00 113.47 1x52 n LEU 96 Ca 0.07 -0.89 -0.22 0.00 -0.03 0.00 0.00 56.01 54.94 1x52 n LEU 96 Cb 0.03 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.08 1x52 n LEU 96 CO 0.05 0.21 -0.18 -2.28 -1.33 0.00 0.00 177.39 173.86 1x52 s HIS 97 N -0.07 3.09 0.28 -1.77 2.46 -1.22 -5.02 115.29 113.04 1x52 s HIS 97 Ca 0.00 -0.11 -0.04 0.00 0.47 0.00 0.00 55.06 55.38 1x52 s HIS 97 Cb 0.00 -1.40 0.36 0.00 -0.13 0.00 0.00 32.58 31.41 1x52 s HIS 97 CO 0.00 0.53 1.95 -0.24 -2.47 0.00 0.00 174.74 174.50 1x52 h VAL 98 N 1.57 1.23 -0.09 0.89 3.04 -1.96 0.67 116.25 121.59 1x52 h VAL 98 Ca -0.48 -0.44 0.03 0.00 -1.01 0.00 0.00 66.70 64.80 1x52 h VAL 98 Cb 1.24 -0.08 -0.00 0.00 -2.01 0.00 0.00 31.29 30.43 1x52 h VAL 98 CO 0.61 0.23 0.08 0.28 -1.01 0.00 0.00 177.57 177.76 1x52 h SER 99 N 1.22 0.00 0.20 3.17 0.02 -1.96 0.16 113.55 116.35 1x52 h SER 99 Ca 0.33 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.27 1x52 h SER 99 Cb -0.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.42 1x52 h SER 99 CO -0.07 0.00 -0.09 1.23 -1.14 0.00 0.00 176.83 176.76 1x52 h GLY 100 N 0.00 -0.27 1.82 -3.77 0.00 -0.95 -1.03 103.07 98.86 1x52 h GLY 100 Ca 0.04 0.10 -0.03 0.00 0.00 0.00 0.00 47.33 47.44 1x52 h GLY 100 CO -0.00 -0.10 -0.05 1.05 0.00 0.00 0.00 176.54 177.44 1x52 h GLU 101 N -0.86 0.24 -0.34 4.80 4.11 -1.23 0.22 114.58 121.52 1x52 h GLU 101 Ca -0.03 -0.04 -0.01 0.00 0.07 0.00 0.00 59.36 59.35 1x52 h GLU 101 Cb 0.51 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1x52 h GLU 101 CO 0.04 0.31 0.17 1.96 0.07 0.00 0.00 179.01 181.56 1x52 h GLN 102 N 0.23 0.48 -0.67 1.06 4.20 -1.00 -2.72 115.11 116.69 1x52 h GLN 102 Ca 0.05 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.66 1x52 h GLN 102 Cb 0.25 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.91 1x52 h GLN 102 CO 0.01 0.43 0.29 1.25 -0.67 0.00 0.00 178.83 180.13 1x52 h LEU 103 N 0.41 0.89 -2.05 1.46 5.85 -0.02 -3.00 115.31 118.85 1x52 h LEU 103 Ca 0.12 -0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.79 1x52 h LEU 103 Cb 0.10 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1x52 h LEU 103 CO -0.02 0.78 0.17 0.28 -0.34 0.00 0.00 178.44 179.31 1x52 h SER 104 N 0.96 0.00 0.55 1.25 0.02 -0.69 0.36 113.55 116.01 1x52 h SER 104 Ca 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1x52 h SER 104 Cb 0.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.69 1x52 h SER 104 CO -0.02 0.00 0.00 1.56 -1.14 0.00 0.00 176.83 177.23 1x52 h GLN 105 N 0.00 0.00 -1.33 3.45 4.20 -1.42 -2.97 115.11 117.05 1x52 h GLN 105 Ca 0.10 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 58.26 1x52 h GLN 105 Cb 0.44 0.00 -0.42 0.00 0.30 0.00 0.00 27.48 27.80 1x52 h GLN 105 CO -0.00 0.00 -0.80 1.28 -0.67 0.00 0.00 178.83 178.64 1x52 n LEU 106 N -2.65 4.32 0.00 1.46 4.77 0.97 -4.93 117.00 120.94 1x52 n LEU 106 Ca 0.00 -4.94 0.00 0.00 -0.03 0.00 0.00 56.01 51.04 1x52 n LEU 106 Cb 0.19 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 1x52 n LEU 106 CO 0.20 2.12 0.00 0.35 -1.33 0.00 0.00 177.39 178.73 1x52 n THR 107 N -0.47 0.00 -1.88 -5.08 -2.24 -1.12 -2.00 114.28 101.49 1x52 n THR 107 Ca 0.36 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.95 1x52 n THR 107 Cb 0.73 -0.61 -0.05 0.00 -2.10 0.00 0.00 70.33 68.29 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 -0.93 0.86 3.12 3.38 0.00 0.58 -4.88 105.19 107.32 1x52 n GLY 108 Ca 0.00 -0.13 -0.05 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.78 -0.74 0.32 1.61 0.11 -0.85 -1.06 120.40 117.00 1x52 s VAL 109 Ca 0.00 0.01 -0.03 0.00 -2.93 0.00 0.00 61.98 59.03 1x52 s VAL 109 Cb 0.00 -0.84 -0.01 0.00 -1.53 0.00 0.00 36.38 34.00 1x52 s VAL 109 CO 0.00 -0.04 0.42 0.00 -3.33 0.00 0.00 175.10 172.15 1x52 s ALA 110 N 2.67 0.80 -0.15 1.54 0.00 0.04 -1.67 121.76 124.99 1x52 s ALA 110 Ca 0.10 -1.51 -0.29 0.00 0.00 0.00 0.00 51.96 50.25 1x52 s ALA 110 Cb -0.14 1.20 0.10 0.00 0.00 0.00 0.00 23.12 24.28 1x52 s ALA 110 CO -0.17 -0.77 0.84 0.00 0.00 0.00 0.00 175.76 175.67 1x52 s ALA 111 N -3.33 -1.85 0.16 0.00 0.00 0.32 -0.45 121.76 116.62 1x52 s ALA 111 Ca 0.31 1.57 -0.22 0.00 0.00 0.00 0.00 51.96 53.62 1x52 s ALA 111 Cb 0.01 -0.58 -0.08 0.00 0.00 0.00 0.00 23.12 22.47 1x52 s ALA 111 CO 0.19 -0.33 0.72 0.42 0.00 0.00 0.00 175.76 176.76 1x52 s ILE 112 N -0.78 4.51 -0.09 0.00 1.01 0.21 -1.77 121.20 124.30 1x52 s ILE 112 Ca -0.05 1.46 -0.01 0.00 0.00 0.00 0.00 60.65 62.06 1x52 s ILE 112 Cb -0.01 -4.00 -0.03 0.00 0.01 0.00 0.00 42.46 38.43 1x52 s ILE 112 CO 0.04 0.43 -0.03 -0.76 0.00 0.00 0.00 174.94 174.62 1x52 s LEU 113 N -1.41 3.39 0.15 2.97 1.43 -0.58 -1.38 118.68 123.25 1x52 s LEU 113 Ca 0.37 0.05 -0.22 0.00 -1.03 0.00 0.00 54.13 53.30 1x52 s LEU 113 Cb -0.20 -1.77 0.03 0.00 0.03 0.00 0.00 46.19 44.28 1x52 s LEU 113 CO 0.23 0.35 1.64 0.03 0.23 0.00 0.00 176.35 178.83 1x52 h ARG 114 N 5.39 -0.21 -4.63 1.70 3.08 -0.89 -3.46 114.38 115.37 1x52 h ARG 114 Ca -0.48 0.01 -0.22 0.00 0.07 0.00 0.00 59.98 59.37 1x52 h ARG 114 Cb 1.18 0.05 -0.15 0.00 0.08 0.00 0.00 29.97 31.13 1x52 h ARG 114 CO 0.55 -0.14 -0.70 -0.59 -1.07 0.00 0.00 179.97 178.02 1x52 s PHE 115 N -6.11 0.86 0.37 3.04 -0.12 -1.26 -5.10 117.98 109.66 1x52 s PHE 115 Ca -0.15 -0.90 -0.27 0.00 -0.05 0.00 0.00 56.93 55.57 1x52 s PHE 115 Cb 0.12 -0.50 -0.09 0.00 -0.63 0.00 0.00 43.02 41.92 1x52 s PHE 115 CO 0.68 -0.16 1.23 -1.25 -0.05 0.00 0.00 175.22 175.67 1x52 s PRO 116 N -3.69 4.17 0.02 1.99 0.04 -1.26 -4.78 135.00 131.49 1x52 s PRO 116 Ca 0.10 2.01 -0.20 0.00 0.04 0.00 0.00 61.00 62.95 1x52 s PRO 116 Cb 0.04 -2.85 -0.06 0.00 0.04 0.00 0.00 34.50 31.68 1x52 s PRO 116 CO -0.05 -0.27 0.57 0.08 0.04 0.00 0.00 177.00 177.37 1x52 s VAL 117 N -1.28 4.86 -1.38 -0.36 1.01 -1.18 -4.98 120.40 117.09 1x52 s VAL 117 Ca 0.54 1.20 -0.13 0.00 0.00 0.00 0.00 61.98 63.59 1x52 s VAL 117 Cb -0.35 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 1x52 s VAL 117 CO 0.45 0.47 2.43 -0.81 0.00 0.00 0.00 175.10 177.65 1x52 n PRO 118 N 2.34 2.90 0.00 2.72 -0.04 -1.26 -4.07 135.00 137.59 1x52 n PRO 118 Ca -0.09 -2.25 0.00 0.00 -0.04 0.00 0.00 63.50 61.12 1x52 n PRO 118 Cb 0.51 -2.99 0.00 0.00 -0.04 0.00 0.00 33.50 30.98 1x52 n PRO 118 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x52 n SER 119 N 5.21 0.53 -1.11 3.54 7.64 -1.26 -5.15 113.62 123.02 1x52 n SER 119 Ca 0.60 -1.13 0.14 0.00 1.01 0.00 0.00 58.87 59.48 1x52 n SER 119 Cb 0.31 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.44 1x52 n SER 119 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x52 n GLY 120 N -0.07 -3.00 2.69 0.23 0.00 -1.26 -4.98 105.19 98.81 1x52 n GLY 120 Ca 0.00 -1.16 -0.23 0.00 0.00 0.00 0.00 46.02 44.64 1x52 n GLY 120 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x52 n PRO 121 N -3.83 -2.62 -1.90 1.61 -0.04 -1.26 -4.89 135.00 122.07 1x52 n PRO 121 Ca -0.06 -1.34 -0.32 0.00 -0.04 0.00 0.00 63.50 61.74 1x52 n PRO 121 Cb 0.52 -1.25 0.02 0.00 -0.04 0.00 0.00 33.50 32.75 1x52 n PRO 121 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x52 s SER 122 N -3.78 5.80 -0.01 3.54 0.01 -1.26 -5.01 113.70 112.99 1x52 s SER 122 Ca 0.54 1.67 0.01 0.00 1.31 0.00 0.00 55.95 59.48 1x52 s SER 122 Cb -0.05 -2.51 -0.02 0.00 0.21 0.00 0.00 66.02 63.65 1x52 s SER 122 CO 0.42 -1.15 0.01 -0.24 0.41 0.00 0.00 173.24 172.69 1x52 n SER 123 N -2.44 4.72 0.00 2.44 2.88 -1.26 -5.06 113.62 114.90 1x52 n SER 123 Ca 0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 1x52 n SER 123 Cb 0.53 0.78 0.00 0.00 -0.75 0.00 0.00 64.21 64.78 1x52 n SER 123 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42