#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 2.22 -4.72 1.61 3.41 -1.26 -5.03 113.62 109.84 1x52 n SER 2 Ca 0.00 -1.61 -0.33 0.00 -0.26 0.00 0.00 58.87 56.67 1x52 n SER 2 Cb 0.00 0.12 0.11 0.00 -0.26 0.00 0.00 64.21 64.18 1x52 n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1x52 s SER 3 N -1.55 3.98 -1.60 4.04 0.01 -1.26 -4.22 113.70 113.09 1x52 s SER 3 Ca 0.18 2.24 0.00 0.00 1.31 0.00 0.00 55.95 59.68 1x52 s SER 3 Cb 0.14 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.79 1x52 s SER 3 CO 0.26 -2.40 0.00 0.61 0.41 0.00 0.00 173.24 172.12 1x52 n GLY 4 N 0.13 0.51 0.00 3.44 0.00 -1.26 -4.95 105.19 103.06 1x52 n GLY 4 Ca 0.12 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.04 0.00 -4.76 1.61 2.88 -1.26 -5.00 113.62 106.05 1x52 n SER 5 Ca -0.19 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 56.96 1x52 n SER 5 Cb 0.61 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 64.10 1x52 n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x52 s SER 6 N -1.00 5.73 0.14 -3.46 0.01 -1.26 -5.00 113.70 108.86 1x52 s SER 6 Ca 0.00 2.79 -0.18 0.00 1.31 0.00 0.00 55.95 59.87 1x52 s SER 6 Cb 0.00 -2.64 0.06 0.00 0.21 0.00 0.00 66.02 63.65 1x52 s SER 6 CO 0.00 -1.26 0.87 0.61 0.41 0.00 0.00 173.24 173.86 1x52 n GLY 7 N 0.63 0.70 3.12 3.44 0.00 -1.26 -5.15 105.19 106.67 1x52 n GLY 7 Ca 0.07 -1.10 -0.33 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.14 2.05 -0.75 2.61 -1.32 -1.26 -5.00 115.64 109.82 1x52 s THR 8 Ca 0.19 -0.93 0.03 0.00 -1.21 0.00 0.00 61.69 59.77 1x52 s THR 8 Cb -0.02 -1.85 0.28 0.00 -1.51 0.00 0.00 72.50 69.40 1x52 s THR 8 CO 0.04 0.54 1.00 1.33 -2.21 0.00 0.00 174.62 175.33 1x52 n VAL 9 N 4.61 3.36 -1.72 5.08 0.24 -1.26 -5.09 118.33 123.56 1x52 n VAL 9 Ca -0.21 -5.49 -0.42 0.00 -2.04 0.00 0.00 64.34 56.19 1x52 n VAL 9 Cb 0.50 -1.96 0.00 0.00 -1.47 0.00 0.00 33.84 30.91 1x52 n VAL 9 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1x52 n ALA 10 N 0.73 1.54 -2.87 2.33 0.00 -1.26 -5.02 120.51 115.98 1x52 n ALA 10 Ca 0.30 0.32 -0.12 0.00 0.00 0.00 0.00 53.44 53.94 1x52 n ALA 10 Cb 0.38 -2.30 -0.14 0.00 0.00 0.00 0.00 19.45 17.40 1x52 n ALA 10 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1x52 s SER 11 N -0.36 0.12 -0.30 0.00 1.04 -1.26 -5.09 113.70 107.86 1x52 s SER 11 Ca 0.57 -0.07 0.01 0.00 0.48 0.00 0.00 55.95 56.94 1x52 s SER 11 Cb -0.52 0.00 0.09 0.00 0.10 0.00 0.00 66.02 65.68 1x52 s SER 11 CO 0.61 -0.02 0.04 -0.13 0.98 0.00 0.00 173.24 174.71 1x52 s ARG 12 N -0.19 1.20 -0.51 4.02 0.52 -1.26 -5.07 118.95 117.66 1x52 s ARG 12 Ca -0.01 -1.29 -0.02 0.00 -0.52 0.00 0.00 55.73 53.89 1x52 s ARG 12 Cb -0.01 -2.54 0.13 0.00 0.52 0.00 0.00 34.95 33.05 1x52 s ARG 12 CO -0.00 -0.86 0.31 -0.51 0.02 0.00 0.00 175.30 174.26 1x52 s LEU 13 N 1.33 5.14 0.00 2.53 2.01 -1.26 -4.69 118.68 123.75 1x52 s LEU 13 Ca 0.06 -2.50 0.00 0.00 0.01 0.00 0.00 54.13 51.70 1x52 s LEU 13 Cb -0.18 -1.82 0.00 0.00 0.01 0.00 0.00 46.19 44.20 1x52 s LEU 13 CO -0.14 -0.43 0.05 -1.20 1.01 0.00 0.00 176.35 175.64 1x52 n SER 14 N 3.94 0.11 -3.62 2.29 7.64 -1.26 -5.08 113.62 117.64 1x52 n SER 14 Ca 0.03 -0.42 -0.13 0.00 1.01 0.00 0.00 58.87 59.36 1x52 n SER 14 Cb 0.39 0.50 -0.07 0.00 -1.01 0.00 0.00 64.21 64.02 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 -0.50 -0.62 0.18 6.43 2.15 -1.26 -4.95 116.67 118.10 1x52 s ASP 15 Ca 0.00 1.13 -0.12 0.00 0.43 0.00 0.00 52.55 53.99 1x52 s ASP 15 Cb 0.00 1.12 0.08 0.00 -0.30 0.00 0.00 42.92 43.82 1x52 s ASP 15 CO 0.00 -0.26 1.77 0.00 -0.17 0.00 0.00 175.17 176.51 1x52 h THR 16 N 3.69 1.21 0.00 1.71 1.03 -1.98 0.12 112.91 118.69 1x52 h THR 16 Ca -0.28 -0.57 -0.11 0.00 -0.01 0.00 0.00 66.41 65.44 1x52 h THR 16 Cb 1.16 0.49 -0.02 0.00 -1.07 0.00 0.00 68.15 68.71 1x52 h THR 16 CO 0.12 0.23 -0.69 0.50 -0.01 0.00 0.00 175.52 175.67 1x52 h LYS 17 N 0.81 0.00 -0.17 0.00 1.63 -2.00 -3.33 116.57 113.51 1x52 h LYS 17 Ca 0.21 0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.90 1x52 h LYS 17 Cb 0.10 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.72 1x52 h LYS 17 CO -0.03 0.71 -0.36 0.00 -3.45 0.00 0.00 179.45 176.32 1x52 h ALA 18 N -0.52 1.08 0.00 5.00 0.00 -1.97 0.31 119.26 123.16 1x52 h ALA 18 Ca -0.16 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1x52 h ALA 18 Cb 0.95 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1x52 h ALA 18 CO -0.10 0.58 0.00 0.00 0.00 0.00 0.00 179.25 179.73 1x52 n ALA 19 N -2.48 1.70 0.18 0.00 0.00 0.03 -0.24 120.51 119.70 1x52 n ALA 19 Ca -0.01 -0.01 -0.08 0.00 0.00 0.00 0.00 53.44 53.34 1x52 n ALA 19 Cb 0.46 -1.30 -0.04 0.00 0.00 0.00 0.00 19.45 18.57 1x52 n ALA 19 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1x52 h GLY 20 N 2.54 -0.54 0.98 0.00 0.00 -1.05 -3.24 103.07 101.76 1x52 h GLY 20 Ca 0.00 0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.51 1x52 h GLY 20 CO 0.00 -0.20 0.24 0.83 0.00 0.00 0.00 176.54 177.41 1x52 h GLU 21 N -0.97 0.78 -0.92 4.80 3.07 -1.20 -2.06 114.58 118.09 1x52 h GLU 21 Ca -0.05 -0.13 0.04 0.00 -0.50 0.00 0.00 59.36 58.72 1x52 h GLU 21 Cb 0.40 -0.13 -0.06 0.00 -0.84 0.00 0.00 28.75 28.12 1x52 h GLU 21 CO 0.09 0.66 0.59 0.28 -1.40 0.00 0.00 179.01 179.23 1x52 h VAL 22 N 0.72 1.14 -0.22 3.13 2.07 -0.81 0.15 116.25 122.43 1x52 h VAL 22 Ca 0.18 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 1x52 h VAL 22 Cb 0.16 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 29.82 1x52 h VAL 22 CO -0.02 0.21 0.09 0.50 0.02 0.00 0.00 177.57 178.37 1x52 h LYS 23 N 1.14 0.32 -0.44 1.57 3.11 -1.44 0.59 116.57 121.41 1x52 h LYS 23 Ca 0.37 -0.05 0.06 0.00 -2.81 0.00 0.00 60.65 58.22 1x52 h LYS 23 Cb 0.03 -0.05 -0.05 0.00 -1.00 0.00 0.00 32.23 31.15 1x52 h LYS 23 CO -0.13 0.35 0.13 0.00 -2.81 0.00 0.00 179.45 176.99 1x52 h ALA 24 N 0.95 0.51 -0.33 5.00 0.00 -0.71 -0.18 119.26 124.50 1x52 h ALA 24 Ca 0.07 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1x52 h ALA 24 Cb 0.15 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1x52 h ALA 24 CO -0.01 -0.27 0.14 1.25 0.00 0.00 0.00 179.25 180.36 1x52 h LEU 25 N 0.28 0.45 0.09 0.00 5.85 -0.44 -0.23 115.31 121.30 1x52 h LEU 25 Ca 0.21 -0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.79 1x52 h LEU 25 Cb 0.23 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 1x52 h LEU 25 CO -0.24 0.48 -0.16 -0.78 -0.34 0.00 0.00 178.44 177.40 1x52 h ASP 26 N 0.38 -0.44 -0.54 1.25 3.58 -0.61 0.55 116.42 120.59 1x52 h ASP 26 Ca 0.11 0.05 -0.06 0.00 0.42 0.00 0.00 57.03 57.55 1x52 h ASP 26 Cb 0.17 0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.36 1x52 h ASP 26 CO -0.01 -0.23 0.10 -0.78 -2.88 0.00 0.00 179.24 175.44 1x52 h ASP 27 N -0.31 0.85 0.51 2.28 1.82 -0.91 -1.51 116.42 119.16 1x52 h ASP 27 Ca 0.02 -0.26 -0.02 0.00 -0.39 0.00 0.00 57.03 56.39 1x52 h ASP 27 Cb 0.33 -0.23 0.00 0.00 0.68 0.00 0.00 39.33 40.11 1x52 h ASP 27 CO -0.09 0.89 -0.26 0.15 -1.61 0.00 0.00 179.24 178.32 1x52 h PHE 28 N 0.78 -0.68 -0.63 0.28 3.57 -0.91 -2.76 116.94 116.59 1x52 h PHE 28 Ca 0.16 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.70 1x52 h PHE 28 Cb 0.40 0.23 -0.04 0.00 2.79 0.00 0.00 35.95 39.33 1x52 h PHE 28 CO 0.03 -0.42 0.42 1.88 -2.23 0.00 0.00 178.31 177.99 1x52 h TYR 29 N -0.71 0.68 0.12 0.41 0.05 -0.63 0.18 116.97 117.08 1x52 h TYR 29 Ca -0.07 0.02 0.02 0.00 0.05 0.00 0.00 58.73 58.75 1x52 h TYR 29 Cb 0.55 -0.23 -0.04 0.00 1.01 0.00 0.00 36.73 38.02 1x52 h TYR 29 CO -0.05 0.39 -0.36 -0.22 -1.05 0.00 0.00 178.16 176.86 1x52 h LYS 30 N 0.70 -0.57 -0.53 4.88 3.64 -1.17 -2.17 116.57 121.35 1x52 h LYS 30 Ca 0.26 0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.66 1x52 h LYS 30 Cb 0.15 0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 1x52 h LYS 30 CO -0.07 -0.38 0.25 0.52 -2.27 0.00 0.00 179.45 177.50 1x52 h MET 31 N -0.59 0.74 -0.32 1.90 2.86 -0.93 -1.33 114.93 117.25 1x52 h MET 31 Ca 0.03 -0.09 0.09 0.00 -2.06 0.00 0.00 59.70 57.67 1x52 h MET 31 Cb 0.62 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 1x52 h MET 31 CO -0.21 0.57 0.25 1.25 1.06 0.00 0.00 176.91 179.83 1x52 h LEU 32 N 0.74 0.00 0.00 1.22 5.85 -0.05 0.32 115.31 123.39 1x52 h LEU 32 Ca 0.19 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.81 1x52 h LEU 32 Cb 0.08 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 1x52 h LEU 32 CO -0.03 0.00 -0.85 0.00 -0.34 0.00 0.00 178.44 177.22 1x52 n GLN 33 N -4.25 0.50 0.21 1.25 1.13 -1.06 -4.27 117.38 110.90 1x52 n GLN 33 Ca 0.05 0.54 -0.15 0.00 -1.94 0.00 0.00 57.00 55.50 1x52 n GLN 33 Cb 0.42 -1.71 -0.08 0.00 0.11 0.00 0.00 30.24 28.98 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 -0.44 -1.68 1.08 3.86 -0.68 -3.40 115.15 112.88 1x52 h HIS 34 Ca -0.15 -0.01 -0.44 0.00 -1.16 0.00 0.00 60.37 58.61 1x52 h HIS 34 Cb 0.85 0.15 -0.30 0.00 1.06 0.00 0.00 27.41 29.16 1x52 h HIS 34 CO -0.10 -0.23 -0.84 -0.85 0.86 0.00 0.00 177.93 176.77 1x52 n GLU 35 N -5.26 0.46 0.08 2.45 0.28 0.11 -4.99 120.64 113.76 1x52 n GLU 35 Ca -0.10 -2.76 0.07 0.00 -0.16 0.00 0.00 57.16 54.21 1x52 n GLU 35 Cb 0.23 -1.49 0.33 0.00 1.43 0.00 0.00 31.44 31.94 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 2.38 0.08 0.32 3.44 -0.04 -0.84 -0.43 135.00 139.92 1x52 n PRO 36 Ca 0.23 0.50 0.22 0.00 -0.04 0.00 0.00 63.50 64.40 1x52 n PRO 36 Cb 0.53 -1.72 1.11 0.00 -0.04 0.00 0.00 33.50 33.38 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 -0.25 3.54 3.32 -1.94 -2.26 116.42 118.84 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 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 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 -3.06 2.11 -3.70 3.56 1.74 0.43 -2.60 116.66 115.15 1x52 n ARG 38 Ca -0.02 -1.78 -0.30 0.00 -0.77 0.00 0.00 57.85 54.98 1x52 n ARG 38 Cb 0.11 -1.26 -0.14 0.00 -1.02 0.00 0.00 32.46 30.15 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 -0.99 1.70 -0.00 7.54 0.00 -0.85 -0.69 121.76 128.46 1x52 s ALA 39 Ca 0.21 -2.01 -0.15 0.00 0.00 0.00 0.00 51.96 50.01 1x52 s ALA 39 Cb 0.12 -1.71 -0.06 0.00 0.00 0.00 0.00 23.12 21.47 1x52 s ALA 39 CO 0.16 -1.84 0.41 -0.06 0.00 0.00 0.00 175.76 174.43 1x52 s PHE 40 N 1.14 3.73 0.04 0.00 0.40 -0.52 -4.76 117.98 118.01 1x52 s PHE 40 Ca 0.13 0.99 -0.01 0.00 -0.60 0.00 0.00 56.93 57.45 1x52 s PHE 40 Cb -0.20 -2.29 -0.03 0.00 0.51 0.00 0.00 43.02 41.00 1x52 s PHE 40 CO -0.14 0.64 -0.02 1.52 0.70 0.00 0.00 175.22 177.92 1x52 s TYR 41 N -1.07 0.43 0.00 0.36 1.13 -1.26 -0.83 117.35 116.10 1x52 s TYR 41 Ca 0.24 -0.88 0.00 0.00 -1.41 0.00 0.00 57.07 55.02 1x52 s TYR 41 Cb -0.17 -0.32 0.00 0.00 -1.10 0.00 0.00 41.96 40.38 1x52 s TYR 41 CO 0.13 -0.32 0.00 0.41 -2.51 0.00 0.00 175.55 173.26 1x52 n GLY 42 N 0.58 -2.66 0.34 5.49 0.00 -0.37 -4.32 105.19 104.25 1x52 n GLY 42 Ca -0.17 -1.07 0.03 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.98 -0.10 0.99 5.85 -1.90 -0.65 115.31 118.52 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 0.60 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 1x52 h LEU 43 CO 0.00 -0.30 0.03 0.50 -0.34 0.00 0.00 178.44 178.33 1x52 h LYS 44 N -0.01 0.07 0.51 1.25 3.64 -1.99 0.10 116.57 120.13 1x52 h LYS 44 Ca 0.41 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.76 1x52 h LYS 44 Cb 0.64 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1x52 h LYS 44 CO -0.93 0.05 -0.25 1.96 -2.27 0.00 0.00 179.45 178.01 1x52 h GLN 45 N 0.07 -0.67 -1.00 1.90 4.20 -1.34 -2.91 115.11 115.36 1x52 h GLN 45 Ca 0.04 0.05 0.14 0.00 0.06 0.00 0.00 58.65 58.94 1x52 h GLN 45 Cb 0.03 0.15 -0.09 0.00 0.30 0.00 0.00 27.48 27.87 1x52 h GLN 45 CO -0.05 -0.44 0.62 0.28 -0.67 0.00 0.00 178.83 178.57 1x52 h VAL 46 N -0.69 0.85 -0.89 -0.54 2.07 -1.02 0.49 116.25 116.53 1x52 h VAL 46 Ca -0.07 -0.31 0.08 0.00 0.82 0.00 0.00 66.70 67.21 1x52 h VAL 46 Cb 0.53 -0.14 -0.07 0.00 -1.52 0.00 0.00 31.29 30.09 1x52 h VAL 46 CO 0.11 0.17 0.54 -0.33 0.02 0.00 0.00 177.57 178.08 1x52 h GLU 47 N 0.92 0.93 -0.32 1.57 5.08 -0.83 0.11 114.58 122.03 1x52 h GLU 47 Ca 0.52 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.77 1x52 h GLU 47 Cb 0.61 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1x52 h GLU 47 CO -0.30 0.61 0.01 -0.22 -1.00 0.00 0.00 179.01 178.11 1x52 h LYS 48 N 0.95 0.56 -0.14 2.33 1.63 -0.76 -2.56 116.57 118.58 1x52 h LYS 48 Ca 0.40 -0.17 -0.03 0.00 -0.85 0.00 0.00 60.65 60.00 1x52 h LYS 48 Cb 0.26 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.83 1x52 h LYS 48 CO -0.20 0.68 -0.06 0.00 -3.45 0.00 0.00 179.45 176.42 1x52 h ALA 49 N 0.85 1.64 -0.35 5.00 0.00 -0.47 -1.43 119.26 124.51 1x52 h ALA 49 Ca 0.09 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1x52 h ALA 49 Cb 0.43 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1x52 h ALA 49 CO 0.01 0.27 0.16 -0.97 0.00 0.00 0.00 179.25 178.72 1x52 h ASN 50 N 0.21 0.47 0.07 0.00 -0.73 -0.62 -2.38 115.58 112.60 1x52 h ASN 50 Ca 0.05 -0.14 -0.00 0.00 1.87 0.00 0.00 56.30 58.07 1x52 h ASN 50 Cb 0.24 -0.12 -0.00 0.00 0.27 0.00 0.00 38.32 38.71 1x52 h ASN 50 CO 0.01 0.48 -0.02 -0.33 -0.37 0.00 0.00 177.43 177.20 1x52 h GLU 51 N 0.43 0.00 -0.00 6.67 5.08 -0.96 -0.83 114.58 124.96 1x52 h GLU 51 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1x52 h GLU 51 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1x52 h GLU 51 CO -0.01 0.02 -0.02 0.00 -1.00 0.00 0.00 179.01 178.00 1x52 n ALA 52 N -2.31 2.53 -1.56 3.43 0.00 -0.61 -4.91 120.51 117.08 1x52 n ALA 52 Ca -0.03 -0.16 -0.19 0.00 0.00 0.00 0.00 53.44 53.06 1x52 n ALA 52 Cb 0.11 -1.47 -0.08 0.00 0.00 0.00 0.00 19.45 18.01 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 -1.42 0.00 0.00 2.81 -0.32 -4.82 117.12 112.12 1x52 n MET 53 Ca 0.14 1.13 0.06 0.00 -1.81 0.00 0.00 57.70 57.22 1x52 n MET 53 Cb 0.25 -5.49 -0.01 0.00 -0.71 0.00 0.00 33.22 27.25 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 1.19 3.07 -1.97 3.04 0.00 -1.20 -4.91 120.51 119.73 1x52 n ALA 54 Ca -0.19 -0.44 -0.43 0.00 0.00 0.00 0.00 53.44 52.37 1x52 n ALA 54 Cb 0.63 -0.43 -0.03 0.00 0.00 0.00 0.00 19.45 19.63 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 -1.66 3.45 -0.01 0.00 1.01 -1.25 -0.54 121.20 122.19 1x52 s ILE 55 Ca 0.09 0.45 -0.22 0.00 0.00 0.00 0.00 60.65 60.97 1x52 s ILE 55 Cb 0.10 -3.60 -0.22 0.00 0.01 0.00 0.00 42.46 38.74 1x52 s ILE 55 CO 0.34 -0.38 1.11 -0.78 0.00 0.00 0.00 174.94 175.22 1x52 h ASP 56 N 13.00 0.38 -3.52 3.58 3.58 -1.48 -3.25 116.42 128.71 1x52 h ASP 56 Ca -0.34 -0.72 -0.19 0.00 0.42 0.00 0.00 57.03 56.20 1x52 h ASP 56 Cb 1.17 -0.11 -0.29 0.00 1.72 0.00 0.00 39.33 41.82 1x52 h ASP 56 CO 1.03 1.04 -0.48 -0.89 -2.88 0.00 0.00 179.24 177.06 1x52 s THR 57 N -3.35 -0.03 -0.20 2.25 2.01 -1.18 -0.52 115.64 114.63 1x52 s THR 57 Ca -0.14 0.10 -0.04 0.00 0.31 0.00 0.00 61.69 61.91 1x52 s THR 57 Cb 0.03 -0.35 -0.02 0.00 0.01 0.00 0.00 72.50 72.17 1x52 s THR 57 CO 0.78 0.04 -0.02 -0.22 -0.69 0.00 0.00 174.62 174.50 1x52 s LEU 58 N 0.86 3.10 -0.23 4.42 2.96 -0.21 -0.51 118.68 129.07 1x52 s LEU 58 Ca -0.06 -0.27 -0.10 0.00 -0.22 0.00 0.00 54.13 53.48 1x52 s LEU 58 Cb -0.07 -1.78 -0.05 0.00 0.50 0.00 0.00 46.19 44.79 1x52 s LEU 58 CO -0.05 0.05 0.15 -0.76 -1.32 0.00 0.00 176.35 174.41 1x52 s LEU 59 N 1.08 4.11 -0.00 -0.68 1.43 0.58 -0.27 118.68 124.93 1x52 s LEU 59 Ca 0.02 0.13 0.01 0.00 -1.03 0.00 0.00 54.13 53.26 1x52 s LEU 59 Cb -0.15 -2.09 -0.00 0.00 0.03 0.00 0.00 46.19 43.98 1x52 s LEU 59 CO 0.01 0.09 -0.04 -0.51 0.23 0.00 0.00 176.35 176.13 1x52 s ILE 60 N 0.88 0.30 0.14 -0.59 2.07 -0.28 -0.89 121.20 122.83 1x52 s ILE 60 Ca 0.07 -0.16 -0.31 0.00 -1.41 0.00 0.00 60.65 58.85 1x52 s ILE 60 Cb -0.13 -0.26 -0.08 0.00 0.13 0.00 0.00 42.46 42.12 1x52 s ILE 60 CO 0.03 0.09 1.32 -0.55 -1.91 0.00 0.00 174.94 173.91 1x52 s SER 61 N -0.04 6.91 0.42 4.50 0.15 0.23 -0.81 113.70 125.05 1x52 s SER 61 Ca 0.01 2.29 0.12 0.00 0.70 0.00 0.00 55.95 59.07 1x52 s SER 61 Cb -0.02 -2.59 0.97 0.00 -1.71 0.00 0.00 66.02 62.66 1x52 s SER 61 CO -0.00 -0.56 1.98 -2.24 1.20 0.00 0.00 173.24 173.62 1x52 h ASP 62 N 6.19 0.43 -1.06 5.45 2.03 -1.23 -0.86 116.42 127.37 1x52 h ASP 62 Ca -0.43 0.01 0.28 0.00 -0.73 0.00 0.00 57.03 56.16 1x52 h ASP 62 Cb 1.21 -0.08 -0.09 0.00 -0.83 0.00 0.00 39.33 39.54 1x52 h ASP 62 CO 0.81 0.26 0.69 1.05 -1.03 0.00 0.00 179.24 181.03 1x52 h GLU 63 N 0.48 0.33 0.19 4.15 4.11 -1.92 0.42 114.58 122.34 1x52 h GLU 63 Ca 0.28 -0.02 -0.27 0.00 0.07 0.00 0.00 59.36 59.42 1x52 h GLU 63 Cb 0.46 -0.08 0.02 0.00 0.50 0.00 0.00 28.75 29.66 1x52 h GLU 63 CO -0.08 0.22 -1.20 -0.07 0.07 0.00 0.00 179.01 177.95 1x52 h LEU 64 N 0.34 0.62 -2.03 3.06 3.38 -1.51 -2.05 115.31 117.11 1x52 h LEU 64 Ca 0.60 -0.93 0.12 0.00 0.09 0.00 0.00 57.88 57.76 1x52 h LEU 64 Cb 1.62 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 42.15 1x52 h LEU 64 CO -0.28 1.57 0.32 0.15 0.09 0.00 0.00 178.44 180.29 1x52 h PHE 65 N -0.14 0.00 -0.43 1.13 3.57 -0.81 -1.47 116.94 118.79 1x52 h PHE 65 Ca -0.22 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.28 1x52 h PHE 65 Cb 1.89 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.63 1x52 h PHE 65 CO 0.16 0.00 0.00 0.54 -2.23 0.00 0.00 178.31 176.78 1x52 n ARG 66 N -4.24 3.45 -1.61 1.11 1.74 0.13 -4.74 116.66 112.50 1x52 n ARG 66 Ca 0.07 -2.76 -0.45 0.00 -0.77 0.00 0.00 57.85 53.95 1x52 n ARG 66 Cb 0.51 -1.81 -0.02 0.00 -1.02 0.00 0.00 32.46 30.12 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 0.31 1.44 -0.08 -1.55 -0.00 -0.56 -4.85 115.22 109.93 1x52 n HIS 67 Ca 0.22 0.67 0.03 0.00 0.46 0.00 0.00 57.72 59.09 1x52 n HIS 67 Cb 0.85 -2.28 0.35 0.00 -0.12 0.00 0.00 29.99 28.79 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 2.31 0.71 -6.14 1.57 -0.00 -1.91 -3.38 115.11 108.28 1x52 h GLN 68 Ca -0.41 -0.04 -0.57 0.00 -0.00 0.00 0.00 58.65 57.63 1x52 h GLN 68 Cb 1.33 -0.16 -0.04 0.00 -0.00 0.00 0.00 27.48 28.61 1x52 h GLN 68 CO 0.63 0.47 0.89 0.34 -0.00 0.00 0.00 178.83 181.15 1x52 s ASP 69 N -6.56 6.97 0.26 0.06 2.15 -1.26 -4.94 116.67 113.35 1x52 s ASP 69 Ca -0.09 1.62 -0.04 0.00 0.43 0.00 0.00 52.55 54.47 1x52 s ASP 69 Cb 0.18 -2.54 0.34 0.00 -0.30 0.00 0.00 42.92 40.60 1x52 s ASP 69 CO 0.75 -0.75 1.90 0.58 -0.17 0.00 0.00 175.17 177.48 1x52 h VAL 70 N 5.50 1.15 0.81 1.11 2.07 -1.98 0.74 116.25 125.65 1x52 h VAL 70 Ca -0.25 -0.42 -0.04 0.00 0.82 0.00 0.00 66.70 66.81 1x52 h VAL 70 Cb 1.09 -0.19 0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1x52 h VAL 70 CO 0.97 0.23 -0.39 0.00 0.02 0.00 0.00 177.57 178.40 1x52 h ALA 71 N 1.42 -1.11 -0.58 1.67 0.00 -1.92 0.16 119.26 118.90 1x52 h ALA 71 Ca 0.40 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 55.13 1x52 h ALA 71 Cb 0.04 0.42 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 1x52 h ALA 71 CO -0.14 -1.03 0.30 1.15 0.00 0.00 0.00 179.25 179.54 1x52 h THR 72 N -1.27 0.96 -0.50 0.00 2.02 -1.94 -1.24 112.91 110.93 1x52 h THR 72 Ca -0.11 -0.20 0.10 0.00 0.77 0.00 0.00 66.41 66.97 1x52 h THR 72 Cb 0.83 0.33 -0.09 0.00 -1.74 0.00 0.00 68.15 67.49 1x52 h THR 72 CO 0.18 0.11 -0.02 -0.09 0.37 0.00 0.00 175.52 176.07 1x52 h ARG 73 N 0.58 0.09 0.00 6.66 2.43 -0.78 -1.12 114.38 122.23 1x52 h ARG 73 Ca 0.26 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 1x52 h ARG 73 Cb 0.16 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 1x52 h ARG 73 CO -0.17 0.06 0.00 0.43 -1.51 0.00 0.00 179.97 178.78 1x52 n SER 74 N -5.26 0.43 0.06 -3.80 7.64 0.54 -1.28 113.62 111.96 1x52 n SER 74 Ca 0.05 0.70 -0.03 0.00 1.01 0.00 0.00 58.87 60.60 1x52 n SER 74 Cb 0.27 -0.75 -0.02 0.00 -1.01 0.00 0.00 64.21 62.71 1x52 n SER 74 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1x52 h ARG 75 N 0.00 -0.21 -0.33 1.43 3.08 -0.81 -3.29 114.38 114.25 1x52 h ARG 75 Ca 0.00 0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.14 1x52 h ARG 75 Cb 0.02 0.05 -0.08 0.00 0.08 0.00 0.00 29.97 30.03 1x52 h ARG 75 CO 0.00 -0.14 -0.29 1.88 -1.07 0.00 0.00 179.97 180.35 1x52 h TYR 76 N -0.71 -0.79 -0.61 3.04 0.05 -1.01 -0.52 116.97 116.42 1x52 h TYR 76 Ca -0.02 0.05 -0.00 0.00 0.05 0.00 0.00 58.73 58.81 1x52 h TYR 76 Cb 0.16 0.40 -0.03 0.00 1.01 0.00 0.00 36.73 38.27 1x52 h TYR 76 CO 0.02 -0.36 0.37 -0.39 -1.05 0.00 0.00 178.16 176.75 1x52 h VAL 77 N -0.25 1.17 -0.19 -2.88 -1.51 -1.40 0.76 116.25 111.95 1x52 h VAL 77 Ca 0.16 -0.37 -0.02 0.00 -1.23 0.00 0.00 66.70 65.24 1x52 h VAL 77 Cb 0.51 0.30 -0.01 0.00 -2.13 0.00 0.00 31.29 29.97 1x52 h VAL 77 CO -0.48 0.18 0.04 0.03 -1.23 0.00 0.00 177.57 176.11 1x52 h ARG 78 N 0.84 0.30 -0.33 5.19 3.08 -1.24 -1.10 114.38 121.12 1x52 h ARG 78 Ca 0.22 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1x52 h ARG 78 Cb -0.04 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 1x52 h ARG 78 CO -0.04 0.45 0.21 1.25 -1.07 0.00 0.00 179.97 180.76 1x52 h LEU 79 N 0.11 0.39 -1.09 3.04 5.85 -0.65 0.45 115.31 123.41 1x52 h LEU 79 Ca 0.06 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.75 1x52 h LEU 79 Cb 0.28 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 1x52 h LEU 79 CO 0.00 0.31 0.60 0.58 -0.34 0.00 0.00 178.44 179.58 1x52 h VAL 80 N 0.44 1.24 -0.07 1.05 2.07 -0.74 0.27 116.25 120.50 1x52 h VAL 80 Ca 0.12 -0.44 -0.17 0.00 0.82 0.00 0.00 66.70 67.03 1x52 h VAL 80 Cb -0.02 -0.10 0.01 0.00 -1.52 0.00 0.00 31.29 29.66 1x52 h VAL 80 CO -0.02 0.23 -0.60 0.44 0.02 0.00 0.00 177.57 177.63 1x52 h ASP 81 N 1.24 0.66 0.26 0.57 5.19 -1.00 -3.18 116.42 120.16 1x52 h ASP 81 Ca 0.33 -0.68 -0.04 0.00 -0.62 0.00 0.00 57.03 56.03 1x52 h ASP 81 Cb -0.13 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.18 1x52 h ASP 81 CO -0.07 1.24 -0.18 -1.28 -3.12 0.00 0.00 179.24 175.83 1x52 h SER 82 N 0.13 0.00 -0.35 6.45 0.87 -0.53 0.29 113.55 120.41 1x52 h SER 82 Ca -0.05 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.43 1x52 h SER 82 Cb 1.26 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.20 1x52 h SER 82 CO 0.12 0.18 -0.02 0.58 -0.53 0.00 0.00 176.83 177.17 1x52 h VAL 83 N 0.00 1.24 -0.34 2.23 2.07 -0.98 0.60 116.25 121.07 1x52 h VAL 83 Ca -0.00 -0.99 -0.02 0.00 0.82 0.00 0.00 66.70 66.51 1x52 h VAL 83 Cb 0.36 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1x52 h VAL 83 CO 0.02 0.34 0.12 0.11 0.02 0.00 0.00 177.57 178.19 1x52 h LYS 84 N 0.68 0.52 -0.89 1.57 1.57 -0.96 0.59 116.57 119.65 1x52 h LYS 84 Ca 0.13 -0.10 0.13 0.00 -1.87 0.00 0.00 60.65 58.94 1x52 h LYS 84 Cb 0.45 -0.08 -0.07 0.00 0.08 0.00 0.00 32.23 32.61 1x52 h LYS 84 CO 0.02 0.53 0.57 0.93 -0.57 0.00 0.00 179.45 180.94 1x52 h GLU 85 N 0.40 0.70 -0.73 3.15 4.39 -0.94 -1.79 114.58 119.77 1x52 h GLU 85 Ca 0.11 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 1x52 h GLU 85 Cb 0.22 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 1x52 h GLU 85 CO -0.01 0.47 0.01 0.09 -1.16 0.00 0.00 179.01 178.41 1x52 n ASN 86 N -4.56 4.12 -1.97 1.42 3.02 0.17 -4.90 115.26 112.57 1x52 n ASN 86 Ca 0.17 -2.63 -0.19 0.00 -0.03 0.00 0.00 54.58 51.90 1x52 n ASN 86 Cb 0.44 -0.63 -0.03 0.00 -0.61 0.00 0.00 39.78 38.95 1x52 n ASN 86 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1x52 n ALA 87 N 0.38 -0.49 -2.47 5.41 0.00 -0.67 -4.74 120.51 117.93 1x52 n ALA 87 Ca 0.19 0.19 -0.23 0.00 0.00 0.00 0.00 53.44 53.60 1x52 n ALA 87 Cb 0.89 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 18.35 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 -2.32 1.49 0.23 0.00 0.00 0.16 -4.88 107.32 102.01 1x52 s GLY 88 Ca 0.00 -1.08 -0.17 0.00 0.00 0.00 0.00 44.72 43.47 1x52 s GLY 88 CO 0.00 -0.96 0.69 -1.59 0.00 0.00 0.00 173.10 171.25 1x52 s THR 89 N -2.41 4.65 -0.13 0.90 2.01 0.32 -4.04 115.64 116.95 1x52 s THR 89 Ca 0.45 1.11 -0.07 0.00 0.31 0.00 0.00 61.69 63.49 1x52 s THR 89 Cb -0.10 -3.78 -0.04 0.00 0.01 0.00 0.00 72.50 68.59 1x52 s THR 89 CO 0.36 0.12 0.14 -0.69 -0.69 0.00 0.00 174.62 173.86 1x52 s VAL 90 N -1.63 5.49 -0.12 3.82 1.01 -1.26 -1.05 120.40 126.67 1x52 s VAL 90 Ca 0.45 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.65 1x52 s VAL 90 Cb -0.15 -3.41 0.02 0.00 0.00 0.00 0.00 36.38 32.84 1x52 s VAL 90 CO 0.20 0.60 -0.10 -0.13 0.00 0.00 0.00 175.10 175.67 1x52 s ARG 91 N -0.90 1.72 -0.18 2.72 1.81 0.63 -4.91 118.95 119.84 1x52 s ARG 91 Ca 0.15 -0.34 -0.01 0.00 -1.72 0.00 0.00 55.73 53.80 1x52 s ARG 91 Cb -0.12 -1.68 0.00 0.00 -0.45 0.00 0.00 34.95 32.70 1x52 s ARG 91 CO 0.04 -0.22 -0.13 0.42 -0.68 0.00 0.00 175.30 174.73 1x52 s ILE 92 N 1.53 2.75 -0.16 1.52 1.01 -1.26 -1.12 121.20 125.47 1x52 s ILE 92 Ca 0.03 -0.72 -0.16 0.00 0.00 0.00 0.00 60.65 59.80 1x52 s ILE 92 Cb -0.13 -2.20 -0.04 0.00 0.01 0.00 0.00 42.46 40.10 1x52 s ILE 92 CO -0.07 0.49 0.37 -0.36 0.00 0.00 0.00 174.94 175.37 1x52 s PHE 93 N 1.17 3.44 -0.05 3.97 0.40 0.01 -4.91 117.98 122.02 1x52 s PHE 93 Ca 0.02 0.67 -0.29 0.00 -0.60 0.00 0.00 56.93 56.73 1x52 s PHE 93 Cb -0.14 -2.46 -0.07 0.00 0.51 0.00 0.00 43.02 40.86 1x52 s PHE 93 CO -0.05 0.13 1.97 -1.12 0.70 0.00 0.00 175.22 176.86 1x52 s SER 94 N 0.71 6.24 0.60 1.36 0.01 -1.26 -0.65 113.70 120.71 1x52 s SER 94 Ca 0.20 2.39 0.31 0.00 1.31 0.00 0.00 55.95 60.15 1x52 s SER 94 Cb -0.14 -2.53 1.83 0.00 0.21 0.00 0.00 66.02 65.39 1x52 s SER 94 CO 0.07 -1.26 2.21 0.28 0.41 0.00 0.00 173.24 174.95 1x52 h SER 95 N 11.54 0.00 0.56 2.44 0.02 -1.95 -1.42 113.55 124.73 1x52 h SER 95 Ca -0.46 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.44 1x52 h SER 95 Cb 1.23 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.76 1x52 h SER 95 CO 0.95 0.00 -0.25 -0.07 -1.14 0.00 0.00 176.83 176.32 1x52 h LEU 96 N 0.00 0.00 -9.97 5.07 -0.00 -2.00 -3.42 115.31 105.00 1x52 h LEU 96 Ca 0.03 0.00 -0.47 0.00 -0.00 0.00 0.00 57.88 57.44 1x52 h LEU 96 Cb 0.17 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.81 1x52 h LEU 96 CO -0.00 0.25 0.28 -2.28 -0.00 0.00 0.00 178.44 176.68 1x52 s HIS 97 N -3.98 3.50 0.01 1.13 2.46 -0.53 -4.97 115.29 112.90 1x52 s HIS 97 Ca -0.02 1.58 0.27 0.00 0.47 0.00 0.00 55.06 57.37 1x52 s HIS 97 Cb 0.12 -2.80 1.48 0.00 -0.13 0.00 0.00 32.58 31.26 1x52 s HIS 97 CO 0.65 0.09 1.84 -0.24 -2.47 0.00 0.00 174.74 174.60 1x52 h VAL 98 N 2.27 0.00 -0.60 0.89 3.04 -1.85 0.01 116.25 120.02 1x52 h VAL 98 Ca -0.48 -0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.21 1x52 h VAL 98 Cb 1.18 0.61 -0.03 0.00 -2.01 0.00 0.00 31.29 31.04 1x52 h VAL 98 CO 0.64 0.00 0.38 0.77 -1.01 0.00 0.00 177.57 178.35 1x52 h SER 99 N 0.00 0.69 -0.70 3.17 4.64 -1.92 0.02 113.55 119.46 1x52 h SER 99 Ca 0.00 -0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.25 1x52 h SER 99 Cb 0.00 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 61.89 1x52 h SER 99 CO 0.00 0.51 0.27 1.23 -0.87 0.00 0.00 176.83 177.97 1x52 h GLY 100 N 0.82 1.15 1.31 -0.77 0.00 -1.16 -0.83 103.07 103.59 1x52 h GLY 100 Ca 0.22 -0.63 -0.19 0.00 0.00 0.00 0.00 47.33 46.72 1x52 h GLY 100 CO -0.05 0.59 -0.67 0.83 0.00 0.00 0.00 176.54 177.25 1x52 h GLU 101 N 1.04 0.70 -0.03 4.80 5.08 -1.51 0.19 114.58 124.85 1x52 h GLU 101 Ca 0.24 -0.51 0.02 0.00 -1.00 0.00 0.00 59.36 58.11 1x52 h GLU 101 Cb 0.23 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1x52 h GLU 101 CO -0.02 1.13 -0.10 1.96 -1.00 0.00 0.00 179.01 180.98 1x52 h GLN 102 N 0.50 -0.15 -0.07 2.33 4.20 -0.89 -2.87 115.11 118.16 1x52 h GLN 102 Ca -0.02 0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.65 1x52 h GLN 102 Cb 1.26 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.07 1x52 h GLN 102 CO 0.13 -0.10 -0.19 1.25 -0.67 0.00 0.00 178.83 179.25 1x52 h LEU 103 N -0.15 0.10 -1.28 1.46 5.85 -0.88 -3.10 115.31 117.31 1x52 h LEU 103 Ca 0.05 -0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.80 1x52 h LEU 103 Cb 0.22 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.17 1x52 h LEU 103 CO -0.12 0.31 0.52 -1.28 -0.34 0.00 0.00 178.44 177.53 1x52 h SER 104 N 0.10 0.79 -0.86 1.25 0.87 -0.40 0.29 113.55 115.59 1x52 h SER 104 Ca 0.02 -0.00 0.21 0.00 -1.23 0.00 0.00 61.79 60.79 1x52 h SER 104 Cb 0.40 -0.17 -0.06 0.00 -0.44 0.00 0.00 62.40 62.14 1x52 h SER 104 CO 0.03 0.52 0.58 1.56 -0.53 0.00 0.00 176.83 178.99 1x52 h GLN 105 N 0.90 0.28 -0.75 2.24 4.20 -1.54 -1.35 115.11 119.09 1x52 h GLN 105 Ca 0.33 -0.02 -0.41 0.00 0.06 0.00 0.00 58.65 58.61 1x52 h GLN 105 Cb 0.16 -0.06 -0.24 0.00 0.30 0.00 0.00 27.48 27.64 1x52 h GLN 105 CO -0.11 0.19 0.35 1.28 -0.67 0.00 0.00 178.83 179.87 1x52 n LEU 106 N -4.45 5.81 0.00 1.46 4.77 0.70 -4.90 117.00 120.39 1x52 n LEU 106 Ca 0.18 -3.79 0.00 0.00 -0.03 0.00 0.00 56.01 52.37 1x52 n LEU 106 Cb 0.73 -0.76 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1x52 n LEU 106 CO 0.33 1.21 0.00 0.35 -1.33 0.00 0.00 177.39 177.95 1x52 n THR 107 N -1.11 0.00 -0.50 -5.08 -2.24 -0.51 -3.11 114.28 101.73 1x52 n THR 107 Ca 0.50 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.28 1x52 n THR 107 Cb 1.32 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.55 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 -1.88 0.72 2.86 3.38 0.00 0.51 -4.78 105.19 106.00 1x52 n GLY 108 Ca 0.00 -0.26 -0.14 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 -2.00 -0.04 0.32 1.61 0.11 -1.18 -0.60 120.40 118.62 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 -0.13 0.02 0.00 -1.53 0.00 0.00 36.38 34.74 1x52 s VAL 109 CO 0.00 0.06 0.62 0.00 -3.33 0.00 0.00 175.10 172.45 1x52 s ALA 110 N 0.83 -0.32 -0.17 1.54 0.00 -0.07 -1.23 121.76 122.34 1x52 s ALA 110 Ca -0.07 -0.90 -0.27 0.00 0.00 0.00 0.00 51.96 50.72 1x52 s ALA 110 Cb -0.09 0.92 0.07 0.00 0.00 0.00 0.00 23.12 24.02 1x52 s ALA 110 CO -0.03 -0.91 0.69 0.00 0.00 0.00 0.00 175.76 175.50 1x52 s ALA 111 N -3.18 -1.73 0.23 0.00 0.00 -0.01 -0.31 121.76 116.75 1x52 s ALA 111 Ca 0.20 1.67 -0.23 0.00 0.00 0.00 0.00 51.96 53.60 1x52 s ALA 111 Cb -0.03 -0.64 -0.09 0.00 0.00 0.00 0.00 23.12 22.37 1x52 s ALA 111 CO 0.12 -0.35 0.79 0.42 0.00 0.00 0.00 175.76 176.75 1x52 s ILE 112 N -0.33 4.42 0.14 0.00 1.01 0.33 -1.44 121.20 125.35 1x52 s ILE 112 Ca -0.05 1.54 0.10 0.00 0.00 0.00 0.00 60.65 62.23 1x52 s ILE 112 Cb -0.03 -3.98 -0.04 0.00 0.01 0.00 0.00 42.46 38.42 1x52 s ILE 112 CO 0.05 0.29 -0.19 -0.76 0.00 0.00 0.00 174.94 174.33 1x52 s LEU 113 N -1.74 2.65 0.04 2.97 1.43 0.13 -1.21 118.68 122.95 1x52 s LEU 113 Ca 0.42 -0.64 -0.25 0.00 -1.03 0.00 0.00 54.13 52.63 1x52 s LEU 113 Cb -0.19 -1.46 -0.17 0.00 0.03 0.00 0.00 46.19 44.40 1x52 s LEU 113 CO 0.23 0.16 1.50 0.03 0.23 0.00 0.00 176.35 178.49 1x52 h ARG 114 N 3.51 -0.20 -5.45 1.70 3.08 -1.13 -3.46 114.38 112.43 1x52 h ARG 114 Ca -0.49 0.01 -0.42 0.00 0.07 0.00 0.00 59.98 59.15 1x52 h ARG 114 Cb 1.18 0.05 -0.18 0.00 0.08 0.00 0.00 29.97 31.10 1x52 h ARG 114 CO 0.47 0.02 -0.76 -0.59 -1.07 0.00 0.00 179.97 178.04 1x52 s PHE 115 N -5.36 1.43 -0.51 3.04 -0.12 -1.26 -5.07 117.98 110.13 1x52 s PHE 115 Ca -0.15 -0.55 -0.28 0.00 -0.05 0.00 0.00 56.93 55.90 1x52 s PHE 115 Cb 0.04 -0.74 0.01 0.00 -0.63 0.00 0.00 43.02 41.69 1x52 s PHE 115 CO 0.63 0.16 1.45 -1.25 -0.05 0.00 0.00 175.22 176.16 1x52 s PRO 116 N -2.69 3.36 0.28 1.99 0.04 -1.26 -4.63 135.00 132.08 1x52 s PRO 116 Ca 0.09 0.66 -0.30 0.00 0.04 0.00 0.00 61.00 61.49 1x52 s PRO 116 Cb -0.05 -4.11 -0.11 0.00 0.04 0.00 0.00 34.50 30.28 1x52 s PRO 116 CO 0.03 -1.85 1.50 0.08 0.04 0.00 0.00 177.00 176.80 1x52 s VAL 117 N 6.04 2.39 -0.86 -0.36 1.01 -1.07 -4.89 120.40 122.66 1x52 s VAL 117 Ca 0.57 0.34 -0.25 0.00 0.00 0.00 0.00 61.98 62.64 1x52 s VAL 117 Cb -0.12 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 1x52 s VAL 117 CO 0.28 0.06 1.91 -2.16 0.00 0.00 0.00 175.10 175.19 1x52 s PRO 118 N -0.56 2.60 0.04 2.72 0.04 -1.26 -4.87 135.00 133.71 1x52 s PRO 118 Ca 0.60 -0.17 -0.00 0.00 0.04 0.00 0.00 61.00 61.47 1x52 s PRO 118 Cb -0.44 -4.96 0.00 0.00 0.04 0.00 0.00 34.50 29.14 1x52 s PRO 118 CO 0.46 -3.23 0.06 0.43 0.04 0.00 0.00 177.00 174.76 1x52 n SER 119 N 13.60 -0.16 -3.24 6.66 7.64 -1.26 -5.18 113.62 131.67 1x52 n SER 119 Ca 0.36 -1.20 -0.19 0.00 1.01 0.00 0.00 58.87 58.85 1x52 n SER 119 Cb 0.48 0.29 -0.06 0.00 -1.01 0.00 0.00 64.21 63.91 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 -0.06 3.27 3.77 0.23 0.00 -1.26 -5.17 105.19 105.98 1x52 n GLY 120 Ca -0.00 -2.00 -0.30 0.00 0.00 0.00 0.00 46.02 43.72 1x52 n GLY 120 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x52 s PRO 121 N -3.23 1.97 0.18 1.61 0.04 -1.26 -5.01 135.00 129.30 1x52 s PRO 121 Ca 0.23 0.84 0.00 0.00 0.04 0.00 0.00 61.00 62.12 1x52 s PRO 121 Cb 0.01 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.66 1x52 s PRO 121 CO 0.16 -1.75 0.00 -1.13 0.04 0.00 0.00 177.00 174.32 1x52 n SER 122 N -3.55 0.07 -3.94 6.66 3.41 -1.26 -5.13 113.62 109.88 1x52 n SER 122 Ca 0.07 0.30 -0.30 0.00 -0.26 0.00 0.00 58.87 58.69 1x52 n SER 122 Cb 0.55 0.19 0.25 0.00 -0.26 0.00 0.00 64.21 64.93 1x52 n SER 122 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1x52 s SER 123 N -4.92 0.64 0.00 4.04 0.01 -1.26 -5.27 113.70 106.94 1x52 s SER 123 Ca 0.00 0.87 0.00 0.00 1.31 0.00 0.00 55.95 58.13 1x52 s SER 123 Cb 0.00 -1.28 0.00 0.00 0.21 0.00 0.00 66.02 64.95 1x52 s SER 123 CO 0.00 -4.32 0.00 0.61 0.41 0.00 0.00 173.24 169.94