#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 3.49 0.46 1.61 0.01 -1.26 -5.08 113.70 112.94 1x52 s SER 2 Ca 0.00 1.73 0.03 0.00 1.31 0.00 0.00 55.95 59.01 1x52 s SER 2 Cb 0.00 -2.37 -0.01 0.00 0.21 0.00 0.00 66.02 63.85 1x52 s SER 2 CO 0.00 -2.66 0.10 -0.24 0.41 0.00 0.00 173.24 170.85 1x52 n SER 3 N -3.92 2.02 0.00 2.44 2.88 -1.26 -4.82 113.62 110.96 1x52 n SER 3 Ca 0.08 -3.29 0.00 0.00 -1.33 0.00 0.00 58.87 54.33 1x52 n SER 3 Cb 0.54 0.83 0.00 0.00 -0.75 0.00 0.00 64.21 64.83 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 -1.08 1.92 0.52 0.46 0.00 -1.26 -4.53 105.19 101.23 1x52 n GLY 4 Ca -0.12 -0.62 -0.00 0.00 0.00 0.00 0.00 46.02 45.28 1x52 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x52 n SER 5 N 3.80 -0.03 -4.57 1.61 3.41 -1.26 -5.04 113.62 111.54 1x52 n SER 5 Ca 0.00 -1.16 -0.35 0.00 -0.26 0.00 0.00 58.87 57.10 1x52 n SER 5 Cb 0.00 -0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 63.90 1x52 n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1x52 s SER 6 N -0.17 5.84 -0.38 4.04 1.04 -1.26 -4.58 113.70 118.22 1x52 s SER 6 Ca 0.00 -1.75 0.10 0.00 0.48 0.00 0.00 55.95 54.78 1x52 s SER 6 Cb 0.00 -2.58 0.39 0.00 0.10 0.00 0.00 66.02 63.93 1x52 s SER 6 CO -0.00 -2.20 1.40 0.61 0.98 0.00 0.00 173.24 174.03 1x52 n GLY 7 N 5.97 1.48 3.26 7.32 0.00 -1.26 -5.07 105.19 116.90 1x52 n GLY 7 Ca 0.44 -0.13 -0.11 0.00 0.00 0.00 0.00 46.02 46.21 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 0.18 -0.02 -0.04 2.61 -1.32 -1.26 -5.16 115.64 110.63 1x52 s THR 8 Ca 0.18 0.07 0.02 0.00 -1.21 0.00 0.00 61.69 60.75 1x52 s THR 8 Cb 0.41 -0.57 0.01 0.00 -1.51 0.00 0.00 72.50 70.83 1x52 s THR 8 CO -0.10 0.03 -0.08 -0.69 -2.21 0.00 0.00 174.62 171.57 1x52 s VAL 9 N 0.98 0.77 -0.89 5.08 1.01 -1.26 -4.96 120.40 121.14 1x52 s VAL 9 Ca -0.06 -0.31 -0.21 0.00 0.00 0.00 0.00 61.98 61.40 1x52 s VAL 9 Cb -0.07 -0.72 0.03 0.00 0.00 0.00 0.00 36.38 35.62 1x52 s VAL 9 CO -0.08 0.26 0.40 0.00 0.00 0.00 0.00 175.10 175.69 1x52 n ALA 10 N 3.64 -2.07 -2.55 5.51 0.00 -1.26 -4.97 120.51 118.81 1x52 n ALA 10 Ca -0.22 -0.41 -0.25 0.00 0.00 0.00 0.00 53.44 52.56 1x52 n ALA 10 Cb 0.53 -1.61 -0.10 0.00 0.00 0.00 0.00 19.45 18.27 1x52 n ALA 10 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1x52 s SER 11 N -3.97 3.11 0.20 0.00 0.01 -1.26 -5.17 113.70 106.62 1x52 s SER 11 Ca 0.30 -1.44 0.02 0.00 1.31 0.00 0.00 55.95 56.14 1x52 s SER 11 Cb -0.17 -0.05 -0.01 0.00 0.21 0.00 0.00 66.02 66.01 1x52 s SER 11 CO 0.69 -0.62 0.07 0.54 0.41 0.00 0.00 173.24 174.33 1x52 n ARG 12 N -0.87 0.76 0.04 12.44 1.74 -1.26 -5.10 116.66 124.40 1x52 n ARG 12 Ca -0.06 -1.71 0.00 0.00 -0.77 0.00 0.00 57.85 55.31 1x52 n ARG 12 Cb 0.67 0.93 0.00 0.00 -1.02 0.00 0.00 32.46 33.04 1x52 n ARG 12 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1x52 n LEU 13 N 0.00 0.04 -3.44 0.55 7.94 -1.26 -5.09 117.00 115.75 1x52 n LEU 13 Ca -0.03 0.12 -0.17 0.00 -1.11 0.00 0.00 56.01 54.82 1x52 n LEU 13 Cb 0.30 0.06 0.02 0.00 0.53 0.00 0.00 43.42 44.34 1x52 n LEU 13 CO 0.16 -0.49 0.05 -1.20 -1.11 0.00 0.00 177.39 174.80 1x52 n SER 14 N -2.88 -6.26 -4.04 1.96 7.64 -1.26 -5.06 113.62 103.71 1x52 n SER 14 Ca 0.00 -0.63 -0.11 0.00 1.01 0.00 0.00 58.87 59.15 1x52 n SER 14 Cb 0.09 -3.84 -0.11 0.00 -1.01 0.00 0.00 64.21 59.34 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 -3.17 0.61 -0.13 6.43 2.15 -1.26 -5.09 116.67 116.22 1x52 s ASP 15 Ca 0.18 -0.62 -0.08 0.00 0.43 0.00 0.00 52.55 52.46 1x52 s ASP 15 Cb -0.06 0.08 -0.25 0.00 -0.30 0.00 0.00 42.92 42.39 1x52 s ASP 15 CO 0.82 -0.30 0.33 0.41 -0.17 0.00 0.00 175.17 176.26 1x52 n THR 16 N 1.24 1.75 0.04 1.71 -1.04 -1.26 -2.89 114.28 113.83 1x52 n THR 16 Ca -0.21 -0.58 -0.12 0.00 -2.04 0.00 0.00 64.05 61.09 1x52 n THR 16 Cb 0.56 -1.76 -0.09 0.00 -1.82 0.00 0.00 70.33 67.22 1x52 n THR 16 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1x52 h LYS 17 N -0.05 -0.14 -0.91 -2.82 3.64 -2.00 -2.55 116.57 111.73 1x52 h LYS 17 Ca -0.42 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.01 1x52 h LYS 17 Cb 1.95 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 33.75 1x52 h LYS 17 CO 0.05 0.31 0.59 0.00 -2.27 0.00 0.00 179.45 178.13 1x52 h ALA 18 N 0.11 1.22 0.00 5.00 0.00 -1.96 0.32 119.26 123.95 1x52 h ALA 18 Ca -0.02 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1x52 h ALA 18 Cb 0.51 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1x52 h ALA 18 CO 0.02 0.43 -0.20 0.00 0.00 0.00 0.00 179.25 179.50 1x52 h ALA 19 N 1.39 1.30 -0.41 0.00 0.00 -1.54 0.15 119.26 120.15 1x52 h ALA 19 Ca 0.37 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.96 1x52 h ALA 19 Cb 0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1x52 h ALA 19 CO -0.13 0.25 -0.27 0.78 0.00 0.00 0.00 179.25 179.88 1x52 h GLY 20 N 1.08 0.95 0.77 0.00 0.00 -0.50 0.37 103.07 105.74 1x52 h GLY 20 Ca -0.00 -0.87 -0.01 0.00 0.00 0.00 0.00 47.33 46.45 1x52 h GLY 20 CO 0.03 0.79 -0.10 0.83 0.00 0.00 0.00 176.54 178.08 1x52 h GLU 21 N 0.74 -0.27 -0.32 4.80 3.07 -0.97 -2.68 114.58 118.95 1x52 h GLU 21 Ca 0.09 0.02 0.06 0.00 -0.50 0.00 0.00 59.36 59.02 1x52 h GLU 21 Cb 0.83 0.06 -0.05 0.00 -0.84 0.00 0.00 28.75 28.75 1x52 h GLU 21 CO 0.07 -0.01 0.01 0.28 -1.40 0.00 0.00 179.01 177.96 1x52 h VAL 22 N -0.51 0.77 -0.26 3.13 2.07 -0.66 0.00 116.25 120.79 1x52 h VAL 22 Ca -0.03 -0.03 0.05 0.00 0.82 0.00 0.00 66.70 67.51 1x52 h VAL 22 Cb 0.38 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 30.77 1x52 h VAL 22 CO 0.05 0.02 -0.06 0.50 0.02 0.00 0.00 177.57 178.09 1x52 h LYS 23 N 0.10 0.00 -0.83 1.57 3.11 -0.99 0.76 116.57 120.30 1x52 h LYS 23 Ca 0.16 -0.00 0.03 0.00 -2.81 0.00 0.00 60.65 58.02 1x52 h LYS 23 Cb 0.21 -0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 31.39 1x52 h LYS 23 CO -0.26 0.00 0.55 0.00 -2.81 0.00 0.00 179.45 176.93 1x52 h ALA 24 N 1.26 1.47 0.19 5.00 0.00 -0.95 0.54 119.26 126.77 1x52 h ALA 24 Ca 0.12 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1x52 h ALA 24 Cb 0.19 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1x52 h ALA 24 CO -0.27 0.46 -0.09 1.25 0.00 0.00 0.00 179.25 180.60 1x52 h LEU 25 N 1.05 -0.22 -0.66 0.00 5.85 -0.17 -1.96 115.31 119.21 1x52 h LEU 25 Ca 0.32 -0.18 0.05 0.00 0.84 0.00 0.00 57.88 58.91 1x52 h LEU 25 Cb -0.01 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 1x52 h LEU 25 CO -0.09 0.06 0.38 -0.78 -0.34 0.00 0.00 178.44 177.68 1x52 h ASP 26 N -0.50 0.60 0.36 1.25 1.82 -0.45 0.76 116.42 120.25 1x52 h ASP 26 Ca -0.03 0.02 -0.19 0.00 -0.39 0.00 0.00 57.03 56.44 1x52 h ASP 26 Cb 0.38 -0.11 -0.00 0.00 0.68 0.00 0.00 39.33 40.28 1x52 h ASP 26 CO 0.04 0.40 -0.80 -0.78 -1.61 0.00 0.00 179.24 176.49 1x52 h ASP 27 N 0.73 0.43 0.42 2.28 3.58 -0.96 -2.49 116.42 120.41 1x52 h ASP 27 Ca 0.28 -0.31 -0.02 0.00 0.42 0.00 0.00 57.03 57.40 1x52 h ASP 27 Cb 0.11 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.04 1x52 h ASP 27 CO -0.15 1.07 -0.20 0.15 -2.88 0.00 0.00 179.24 177.23 1x52 h PHE 28 N 0.22 -0.52 -0.95 0.28 3.04 -0.87 -3.16 116.94 114.98 1x52 h PHE 28 Ca -0.04 -0.01 0.08 0.00 3.98 0.00 0.00 57.97 61.97 1x52 h PHE 28 Cb 1.40 0.17 -0.07 0.00 2.56 0.00 0.00 35.95 40.02 1x52 h PHE 28 CO 0.04 -0.23 0.61 1.88 -2.02 0.00 0.00 178.31 178.59 1x52 h TYR 29 N -0.75 1.09 -0.31 0.41 0.05 -0.84 0.43 116.97 117.05 1x52 h TYR 29 Ca -0.06 0.03 0.06 0.00 0.05 0.00 0.00 58.73 58.81 1x52 h TYR 29 Cb 0.53 -0.35 -0.06 0.00 1.01 0.00 0.00 36.73 37.85 1x52 h TYR 29 CO -0.01 0.54 -0.08 -0.22 -1.05 0.00 0.00 178.16 177.34 1x52 h LYS 30 N 1.04 -0.01 -0.11 4.88 3.64 -1.49 -1.06 116.57 123.47 1x52 h LYS 30 Ca 0.42 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.71 1x52 h LYS 30 Cb 0.27 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1x52 h LYS 30 CO -0.17 -0.01 -0.37 0.52 -2.27 0.00 0.00 179.45 177.15 1x52 h MET 31 N -0.01 0.22 -0.79 1.90 0.00 -1.15 -0.41 114.93 114.69 1x52 h MET 31 Ca 0.15 -0.09 0.11 0.00 0.00 0.00 0.00 59.70 59.87 1x52 h MET 31 Cb 0.23 -0.01 -0.06 0.00 0.00 0.00 0.00 31.60 31.77 1x52 h MET 31 CO -0.32 0.56 0.52 1.25 0.00 0.00 0.00 176.91 178.92 1x52 h LEU 32 N 0.19 0.60 0.21 1.22 5.85 0.24 0.23 115.31 123.84 1x52 h LEU 32 Ca 0.02 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1x52 h LEU 32 Cb 0.74 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.67 1x52 h LEU 32 CO 0.06 0.34 -0.10 1.56 -0.34 0.00 0.00 178.44 179.96 1x52 h GLN 33 N 0.66 -0.27 0.15 1.25 1.08 -1.02 -3.39 115.11 113.56 1x52 h GLN 33 Ca 0.38 0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.59 1x52 h GLN 33 Cb 0.56 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.05 1x52 h GLN 33 CO -0.15 0.02 -0.07 0.45 -0.95 0.00 0.00 178.83 178.13 1x52 h HIS 34 N -0.99 -0.18 -2.19 2.96 3.86 -0.30 -3.43 115.15 114.87 1x52 h HIS 34 Ca -0.03 -0.00 -0.58 0.00 -1.16 0.00 0.00 60.37 58.60 1x52 h HIS 34 Cb 0.42 0.06 -0.39 0.00 1.06 0.00 0.00 27.41 28.56 1x52 h HIS 34 CO 0.05 -0.01 -0.99 -0.85 0.86 0.00 0.00 177.93 176.99 1x52 n GLU 35 N -4.90 0.79 0.13 2.45 0.28 0.71 -5.00 120.64 115.10 1x52 n GLU 35 Ca -0.04 -3.42 0.10 0.00 -0.16 0.00 0.00 57.16 53.65 1x52 n GLU 35 Cb 0.13 -1.52 0.49 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 1.83 0.14 0.12 3.44 -0.04 -0.72 -0.81 135.00 138.96 1x52 n PRO 36 Ca 0.25 0.53 0.10 0.00 -0.04 0.00 0.00 63.50 64.33 1x52 n PRO 36 Cb 0.49 -1.87 0.46 0.00 -0.04 0.00 0.00 33.50 32.54 1x52 n PRO 36 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1x52 n ASP 37 N -2.15 0.48 -0.79 3.54 8.00 -1.26 -1.20 116.55 123.17 1x52 n ASP 37 Ca 0.00 0.67 0.10 0.00 0.71 0.00 0.00 54.79 56.27 1x52 n ASP 37 Cb 0.11 -0.75 0.08 0.00 -0.02 0.00 0.00 41.12 40.54 1x52 n ASP 37 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1x52 n ARG 38 N -2.09 1.78 -3.79 -1.24 1.74 0.01 -2.21 116.66 110.86 1x52 n ARG 38 Ca 0.01 -1.66 -0.30 0.00 -0.77 0.00 0.00 57.85 55.13 1x52 n ARG 38 Cb 0.12 -1.39 -0.13 0.00 -1.02 0.00 0.00 32.46 30.04 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 -1.71 2.42 -0.03 7.54 0.00 -0.34 -0.97 121.76 128.67 1x52 s ALA 39 Ca 0.23 -2.69 -0.15 0.00 0.00 0.00 0.00 51.96 49.35 1x52 s ALA 39 Cb 0.17 -1.94 -0.05 0.00 0.00 0.00 0.00 23.12 21.29 1x52 s ALA 39 CO 0.26 -2.01 0.41 -0.06 0.00 0.00 0.00 175.76 174.36 1x52 s PHE 40 N 0.32 3.68 0.05 0.00 0.40 -1.00 -4.83 117.98 116.59 1x52 s PHE 40 Ca 0.17 0.95 -0.01 0.00 -0.60 0.00 0.00 56.93 57.43 1x52 s PHE 40 Cb -0.24 -2.33 -0.04 0.00 0.51 0.00 0.00 43.02 40.92 1x52 s PHE 40 CO -0.02 0.54 -0.02 1.52 0.70 0.00 0.00 175.22 177.95 1x52 s TYR 41 N -0.71 0.49 0.07 0.36 1.13 -1.26 -1.07 117.35 116.37 1x52 s TYR 41 Ca 0.23 -1.03 0.00 0.00 -1.41 0.00 0.00 57.07 54.87 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 0.12 -0.38 0.00 0.41 -2.51 0.00 0.00 175.55 173.19 1x52 n GLY 42 N 0.16 -3.44 0.34 5.49 0.00 -0.27 -4.34 105.19 103.14 1x52 n GLY 42 Ca -0.14 -0.98 0.01 0.00 0.00 0.00 0.00 46.02 44.91 1x52 n GLY 42 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1x52 h LEU 43 N 0.38 -1.05 -0.79 0.99 5.85 -1.90 -0.60 115.31 118.18 1x52 h LEU 43 Ca 0.00 0.27 0.06 0.00 0.84 0.00 0.00 57.88 59.05 1x52 h LEU 43 Cb 0.00 0.61 -0.06 0.00 0.37 0.00 0.00 40.66 41.58 1x52 h LEU 43 CO 0.00 -0.29 0.48 0.50 -0.34 0.00 0.00 178.44 178.78 1x52 h LYS 44 N -0.03 0.84 0.45 1.25 3.64 -1.99 0.88 116.57 121.62 1x52 h LYS 44 Ca 0.37 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.68 1x52 h LYS 44 Cb 0.62 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1x52 h LYS 44 CO -0.90 0.56 -0.21 1.96 -2.27 0.00 0.00 179.45 178.58 1x52 h GLN 45 N 0.87 -0.58 -0.90 1.90 4.20 -1.31 -2.99 115.11 116.31 1x52 h GLN 45 Ca 0.35 0.04 0.17 0.00 0.06 0.00 0.00 58.65 59.27 1x52 h GLN 45 Cb 0.18 0.13 -0.10 0.00 0.30 0.00 0.00 27.48 27.99 1x52 h GLN 45 CO -0.18 -0.28 0.47 0.28 -0.67 0.00 0.00 178.83 178.46 1x52 h VAL 46 N -0.86 0.67 -0.98 -0.54 2.07 -1.16 0.53 116.25 115.98 1x52 h VAL 46 Ca -0.06 -0.21 0.10 0.00 0.82 0.00 0.00 66.70 67.35 1x52 h VAL 46 Cb 0.57 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.26 1x52 h VAL 46 CO 0.10 0.11 0.61 -0.33 0.02 0.00 0.00 177.57 178.09 1x52 h GLU 47 N 0.62 0.99 -0.24 1.57 5.08 -0.81 -0.73 114.58 121.06 1x52 h GLU 47 Ca 0.51 -0.06 -0.17 0.00 -1.00 0.00 0.00 59.36 58.64 1x52 h GLU 47 Cb 0.80 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1x52 h GLU 47 CO -0.40 0.66 -0.52 -0.22 -1.00 0.00 0.00 179.01 177.52 1x52 h LYS 48 N 1.02 0.78 -0.01 2.33 1.63 -0.81 -3.02 116.57 118.49 1x52 h LYS 48 Ca 0.46 -0.52 -0.09 0.00 -0.85 0.00 0.00 60.65 59.66 1x52 h LYS 48 Cb 0.37 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.06 1x52 h LYS 48 CO -0.23 1.14 -0.40 0.00 -3.45 0.00 0.00 179.45 176.51 1x52 h ALA 49 N 0.63 1.32 -0.51 5.00 0.00 -0.57 -2.58 119.26 122.56 1x52 h ALA 49 Ca 0.00 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 1x52 h ALA 49 Cb 1.13 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1x52 h ALA 49 CO 0.12 0.51 0.25 -0.97 0.00 0.00 0.00 179.25 179.15 1x52 h ASN 50 N 0.02 0.66 -0.45 0.00 -0.73 -1.09 -2.57 115.58 111.42 1x52 h ASN 50 Ca -0.00 -0.12 0.05 0.00 1.87 0.00 0.00 56.30 58.10 1x52 h ASN 50 Cb 0.71 -0.17 -0.03 0.00 0.27 0.00 0.00 38.32 39.11 1x52 h ASN 50 CO 0.05 0.59 0.30 -0.33 -0.37 0.00 0.00 177.43 177.68 1x52 h GLU 51 N 0.68 0.40 0.00 6.67 5.08 -1.34 -0.00 114.58 126.06 1x52 h GLU 51 Ca 0.18 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1x52 h GLU 51 Cb 0.10 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1x52 h GLU 51 CO -0.02 0.27 0.00 0.00 -1.00 0.00 0.00 179.01 178.25 1x52 n ALA 52 N -2.51 2.43 -3.61 3.43 0.00 -1.00 -4.88 120.51 114.37 1x52 n ALA 52 Ca 0.06 -0.16 -0.26 0.00 0.00 0.00 0.00 53.44 53.08 1x52 n ALA 52 Cb 0.22 -1.41 -0.01 0.00 0.00 0.00 0.00 19.45 18.24 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 -1.03 -3.12 -0.01 0.00 2.81 -0.02 -4.84 117.12 110.91 1x52 n MET 53 Ca 0.18 0.39 0.08 0.00 -1.81 0.00 0.00 57.70 56.54 1x52 n MET 53 Cb 0.10 -5.08 -0.13 0.00 -0.71 0.00 0.00 33.22 27.39 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 -3.71 2.57 -2.16 3.04 0.00 -1.02 -4.93 120.51 114.30 1x52 n ALA 54 Ca 0.02 -0.43 -0.43 0.00 0.00 0.00 0.00 53.44 52.60 1x52 n ALA 54 Cb 0.52 -0.55 -0.02 0.00 0.00 0.00 0.00 19.45 19.39 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 -3.12 3.74 -0.09 0.00 1.01 -1.25 -0.20 121.20 121.28 1x52 s ILE 55 Ca -0.06 0.82 -0.13 0.00 0.00 0.00 0.00 60.65 61.28 1x52 s ILE 55 Cb 0.10 -3.79 -0.28 0.00 0.01 0.00 0.00 42.46 38.50 1x52 s ILE 55 CO 0.70 -0.37 0.57 -0.78 0.00 0.00 0.00 174.94 175.06 1x52 h ASP 56 N 10.79 0.46 -3.33 3.58 3.58 -1.41 -3.37 116.42 126.72 1x52 h ASP 56 Ca -0.32 -0.89 -0.30 0.00 0.42 0.00 0.00 57.03 55.93 1x52 h ASP 56 Cb 1.14 -0.15 -0.35 0.00 1.72 0.00 0.00 39.33 41.69 1x52 h ASP 56 CO 1.02 1.70 -0.68 -0.89 -2.88 0.00 0.00 179.24 177.51 1x52 s THR 57 N -2.52 -0.12 -0.19 2.25 2.01 -1.16 -0.26 115.64 115.65 1x52 s THR 57 Ca -0.19 0.30 -0.04 0.00 0.31 0.00 0.00 61.69 62.08 1x52 s THR 57 Cb 0.05 -0.19 -0.02 0.00 0.01 0.00 0.00 72.50 72.35 1x52 s THR 57 CO 0.79 0.13 -0.03 -0.22 -0.69 0.00 0.00 174.62 174.60 1x52 s LEU 58 N 1.71 3.11 -0.18 4.42 2.96 0.30 -0.48 118.68 130.51 1x52 s LEU 58 Ca -0.02 -0.24 -0.05 0.00 -0.22 0.00 0.00 54.13 53.60 1x52 s LEU 58 Cb -0.12 -1.77 -0.03 0.00 0.50 0.00 0.00 46.19 44.77 1x52 s LEU 58 CO -0.04 0.08 -0.00 -0.76 -1.32 0.00 0.00 176.35 174.31 1x52 s LEU 59 N 0.88 3.33 -0.03 -0.68 1.43 0.36 -1.02 118.68 122.95 1x52 s LEU 59 Ca -0.00 -0.14 -0.04 0.00 -1.03 0.00 0.00 54.13 52.91 1x52 s LEU 59 Cb -0.15 -1.83 0.01 0.00 0.03 0.00 0.00 46.19 44.25 1x52 s LEU 59 CO 0.01 0.11 0.11 -0.51 0.23 0.00 0.00 176.35 176.30 1x52 s ILE 60 N 0.72 0.02 0.24 -0.59 2.07 -1.03 -0.93 121.20 121.70 1x52 s ILE 60 Ca -0.00 -0.19 -0.31 0.00 -1.41 0.00 0.00 60.65 58.74 1x52 s ILE 60 Cb -0.14 -0.22 -0.11 0.00 0.13 0.00 0.00 42.46 42.12 1x52 s ILE 60 CO 0.02 -0.11 1.54 -0.55 -1.91 0.00 0.00 174.94 173.93 1x52 s SER 61 N -0.31 6.54 0.28 4.50 0.15 0.12 -0.59 113.70 124.37 1x52 s SER 61 Ca -0.04 2.75 -0.01 0.00 0.70 0.00 0.00 55.95 59.36 1x52 s SER 61 Cb -0.03 -2.62 0.47 0.00 -1.71 0.00 0.00 66.02 62.14 1x52 s SER 61 CO 0.00 -0.81 1.87 -2.24 1.20 0.00 0.00 173.24 173.25 1x52 h ASP 62 N 5.55 0.99 -1.02 5.45 2.03 -1.05 -1.30 116.42 127.08 1x52 h ASP 62 Ca -0.45 0.02 0.25 0.00 -0.73 0.00 0.00 57.03 56.12 1x52 h ASP 62 Cb 1.21 -0.18 -0.09 0.00 -0.83 0.00 0.00 39.33 39.44 1x52 h ASP 62 CO 0.83 0.59 0.65 1.05 -1.03 0.00 0.00 179.24 181.34 1x52 h GLU 63 N 1.10 0.41 0.12 4.15 4.11 -1.90 0.63 114.58 123.20 1x52 h GLU 63 Ca 0.46 -0.02 -0.29 0.00 0.07 0.00 0.00 59.36 59.58 1x52 h GLU 63 Cb 0.30 -0.09 0.02 0.00 0.50 0.00 0.00 28.75 29.48 1x52 h GLU 63 CO -0.21 0.27 -1.22 -0.07 0.07 0.00 0.00 179.01 177.85 1x52 h LEU 64 N 0.42 0.76 -1.97 3.06 3.38 -1.61 -0.52 115.31 118.82 1x52 h LEU 64 Ca 0.58 -0.71 0.10 0.00 0.09 0.00 0.00 57.88 57.93 1x52 h LEU 64 Cb 1.41 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 1x52 h LEU 64 CO -0.29 1.53 0.26 0.15 0.09 0.00 0.00 178.44 180.18 1x52 h PHE 65 N 0.23 0.03 -0.86 1.13 3.57 -0.48 -2.20 116.94 118.36 1x52 h PHE 65 Ca -0.17 0.00 -0.51 0.00 3.53 0.00 0.00 57.97 60.82 1x52 h PHE 65 Cb 1.90 -0.01 -0.42 0.00 2.79 0.00 0.00 35.95 40.21 1x52 h PHE 65 CO 0.10 0.01 -0.86 2.89 -2.23 0.00 0.00 178.31 178.23 1x52 n ARG 66 N -4.44 3.25 -1.80 1.11 1.85 -0.10 -4.77 116.66 111.77 1x52 n ARG 66 Ca 0.05 -4.11 -0.38 0.00 -1.00 0.00 0.00 57.85 52.41 1x52 n ARG 66 Cb 0.42 -2.15 0.04 0.00 -1.05 0.00 0.00 32.46 29.72 1x52 n ARG 66 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 1x52 s HIS 67 N -3.60 2.28 0.35 2.89 2.46 -0.21 -4.88 115.29 114.57 1x52 s HIS 67 Ca 0.46 1.39 0.03 0.00 0.47 0.00 0.00 55.06 57.42 1x52 s HIS 67 Cb 0.40 -3.77 0.63 0.00 -0.13 0.00 0.00 32.58 29.70 1x52 s HIS 67 CO -0.01 -2.85 1.96 -0.56 -2.47 0.00 0.00 174.74 170.81 1x52 h GLN 68 N 1.35 0.73 -5.80 2.88 -0.00 -1.92 -3.41 115.11 108.95 1x52 h GLN 68 Ca -0.51 -0.08 -0.61 0.00 -0.00 0.00 0.00 58.65 57.45 1x52 h GLN 68 Cb 1.30 -0.15 -0.11 0.00 -0.00 0.00 0.00 27.48 28.53 1x52 h GLN 68 CO 0.57 0.55 0.39 0.34 -0.00 0.00 0.00 178.83 180.69 1x52 s ASP 69 N -6.57 6.58 0.40 0.06 2.15 -1.26 -4.95 116.67 113.08 1x52 s ASP 69 Ca -0.09 0.43 0.09 0.00 0.43 0.00 0.00 52.55 53.41 1x52 s ASP 69 Cb 0.17 -2.40 0.89 0.00 -0.30 0.00 0.00 42.92 41.28 1x52 s ASP 69 CO 0.77 -0.72 2.00 0.58 -0.17 0.00 0.00 175.17 177.62 1x52 h VAL 70 N 5.73 0.99 0.42 1.11 2.07 -1.98 0.14 116.25 124.73 1x52 h VAL 70 Ca -0.25 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 1x52 h VAL 70 Cb 1.09 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1x52 h VAL 70 CO 0.91 0.10 -0.20 0.00 0.02 0.00 0.00 177.57 178.40 1x52 h ALA 71 N 1.68 -0.57 -0.41 1.67 0.00 -1.95 0.51 119.26 120.19 1x52 h ALA 71 Ca 0.25 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1x52 h ALA 71 Cb 0.28 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1x52 h ALA 71 CO -0.07 -0.65 0.19 1.15 0.00 0.00 0.00 179.25 179.86 1x52 h THR 72 N -0.90 1.18 -0.71 0.00 2.02 -1.94 -2.02 112.91 110.53 1x52 h THR 72 Ca -0.06 -0.51 0.13 0.00 0.77 0.00 0.00 66.41 66.74 1x52 h THR 72 Cb 0.56 0.77 -0.09 0.00 -1.74 0.00 0.00 68.15 67.64 1x52 h THR 72 CO 0.10 0.19 0.26 -0.09 0.37 0.00 0.00 175.52 176.35 1x52 h ARG 73 N 0.52 0.39 -0.65 6.66 2.43 -0.74 -2.00 114.38 120.98 1x52 h ARG 73 Ca 0.14 -0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.41 1x52 h ARG 73 Cb 0.13 -0.09 -0.09 0.00 -0.42 0.00 0.00 29.97 29.50 1x52 h ARG 73 CO -0.02 0.26 0.18 0.66 -1.51 0.00 0.00 179.97 179.54 1x52 h SER 74 N 0.40 0.08 -0.35 -3.80 4.64 -0.13 -0.65 113.55 113.75 1x52 h SER 74 Ca 0.39 0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 61.81 1x52 h SER 74 Cb 0.58 0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.79 1x52 h SER 74 CO -0.40 0.03 0.20 0.03 -0.87 0.00 0.00 176.83 175.82 1x52 h ARG 75 N 0.31 0.48 0.85 4.77 3.08 -1.24 0.12 114.38 122.76 1x52 h ARG 75 Ca 0.35 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.30 1x52 h ARG 75 Cb 0.52 -0.10 0.01 0.00 0.08 0.00 0.00 29.97 30.48 1x52 h ARG 75 CO -0.41 0.39 -0.42 1.88 -1.07 0.00 0.00 179.97 180.34 1x52 h TYR 76 N 0.44 -1.10 -0.67 3.04 0.05 -1.11 -1.53 116.97 116.08 1x52 h TYR 76 Ca 0.12 -0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.87 1x52 h TYR 76 Cb 0.05 0.37 -0.03 0.00 1.01 0.00 0.00 36.73 38.12 1x52 h TYR 76 CO -0.03 -0.67 0.40 -0.39 -1.05 0.00 0.00 178.16 176.42 1x52 h VAL 77 N -1.16 1.19 -0.07 -2.88 -1.51 -0.91 0.33 116.25 111.24 1x52 h VAL 77 Ca -0.12 -0.42 0.00 0.00 -1.23 0.00 0.00 66.70 64.93 1x52 h VAL 77 Cb 0.89 0.25 -0.00 0.00 -2.13 0.00 0.00 31.29 30.30 1x52 h VAL 77 CO 0.18 0.20 0.05 0.03 -1.23 0.00 0.00 177.57 176.80 1x52 h ARG 78 N 0.93 0.09 -0.51 5.19 2.47 -0.79 0.28 114.38 122.03 1x52 h ARG 78 Ca 0.24 -0.01 -0.04 0.00 -1.26 0.00 0.00 59.98 58.91 1x52 h ARG 78 Cb -0.03 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.25 1x52 h ARG 78 CO -0.05 0.07 0.16 1.25 0.56 0.00 0.00 179.97 181.96 1x52 h LEU 79 N 0.09 0.75 0.11 3.04 5.85 -0.45 0.22 115.31 124.92 1x52 h LEU 79 Ca 0.03 -0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.56 1x52 h LEU 79 Cb -0.01 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.79 1x52 h LEU 79 CO -0.01 0.76 -0.31 0.58 -0.34 0.00 0.00 178.44 179.13 1x52 h VAL 80 N 0.70 0.33 -0.75 1.05 2.07 -0.76 0.01 116.25 118.91 1x52 h VAL 80 Ca 0.16 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.63 1x52 h VAL 80 Cb 0.28 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 1x52 h VAL 80 CO -0.00 0.00 0.25 0.44 0.02 0.00 0.00 177.57 178.28 1x52 h ASP 81 N -0.53 1.06 -0.26 0.57 3.32 -0.78 -2.77 116.42 117.02 1x52 h ASP 81 Ca 0.03 -0.19 -0.10 0.00 0.02 0.00 0.00 57.03 56.79 1x52 h ASP 81 Cb 0.56 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 1x52 h ASP 81 CO -0.19 0.97 -0.18 -1.28 -1.72 0.00 0.00 179.24 176.84 1x52 h SER 82 N 1.10 0.72 -0.99 6.45 0.87 -0.75 -1.93 113.55 119.03 1x52 h SER 82 Ca 0.24 -0.24 0.05 0.00 -1.23 0.00 0.00 61.79 60.62 1x52 h SER 82 Cb 0.28 -0.19 -0.06 0.00 -0.44 0.00 0.00 62.40 61.98 1x52 h SER 82 CO -0.01 0.90 0.64 0.58 -0.53 0.00 0.00 176.83 178.41 1x52 h VAL 83 N 0.63 1.12 -0.58 2.23 2.07 -0.72 -1.05 116.25 119.96 1x52 h VAL 83 Ca 0.10 -0.41 -0.07 0.00 0.82 0.00 0.00 66.70 67.14 1x52 h VAL 83 Cb 0.66 -0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 1x52 h VAL 83 CO 0.05 0.22 0.08 0.11 0.02 0.00 0.00 177.57 178.05 1x52 h LYS 84 N 1.19 0.96 -1.00 1.57 1.57 -1.18 0.15 116.57 119.84 1x52 h LYS 84 Ca 0.41 -0.26 0.09 0.00 -1.87 0.00 0.00 60.65 59.02 1x52 h LYS 84 Cb 0.10 -0.11 -0.07 0.00 0.08 0.00 0.00 32.23 32.23 1x52 h LYS 84 CO -0.15 0.92 0.64 0.93 -0.57 0.00 0.00 179.45 181.22 1x52 h GLU 85 N 0.86 1.06 0.00 3.15 5.08 -0.78 -1.05 114.58 122.89 1x52 h GLU 85 Ca 0.17 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1x52 h GLU 85 Cb 0.43 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1x52 h GLU 85 CO 0.01 0.70 0.00 0.09 -1.00 0.00 0.00 179.01 178.82 1x52 n ASN 86 N -4.55 0.00 0.00 1.42 3.02 -0.45 -4.88 115.26 109.82 1x52 n ASN 86 Ca 0.17 -0.41 0.00 0.00 -0.03 0.00 0.00 54.58 54.31 1x52 n ASN 86 Cb 0.26 -0.14 0.00 0.00 -0.61 0.00 0.00 39.78 39.28 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 -1.14 0.00 -2.66 5.41 0.00 -0.40 -4.97 120.51 116.75 1x52 n ALA 87 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.23 1x52 n ALA 87 Cb 0.13 -0.49 -0.05 0.00 0.00 0.00 0.00 19.45 19.04 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 -2.97 2.32 0.10 0.00 0.00 0.46 -4.96 107.32 102.26 1x52 s GLY 88 Ca 0.00 -0.45 -0.30 0.00 0.00 0.00 0.00 44.72 43.97 1x52 s GLY 88 CO 0.00 -0.22 1.16 -1.59 0.00 0.00 0.00 173.10 172.45 1x52 s THR 89 N -1.28 4.01 0.14 0.90 2.01 0.64 -3.81 115.64 118.25 1x52 s THR 89 Ca 0.28 1.53 -0.08 0.00 0.31 0.00 0.00 61.69 63.73 1x52 s THR 89 Cb -0.14 -3.98 -0.06 0.00 0.01 0.00 0.00 72.50 68.33 1x52 s THR 89 CO 0.15 0.17 0.42 -0.69 -0.69 0.00 0.00 174.62 173.98 1x52 s VAL 90 N 0.63 5.09 -0.04 3.82 1.01 -1.26 -0.54 120.40 129.10 1x52 s VAL 90 Ca 0.55 0.27 -0.02 0.00 0.00 0.00 0.00 61.98 62.78 1x52 s VAL 90 Cb -0.29 -3.63 0.03 0.00 0.00 0.00 0.00 36.38 32.49 1x52 s VAL 90 CO 0.31 0.09 0.06 -0.13 0.00 0.00 0.00 175.10 175.44 1x52 s ARG 91 N -2.45 -0.06 -0.38 2.72 1.81 -0.19 -4.86 118.95 115.54 1x52 s ARG 91 Ca 0.40 0.36 -0.10 0.00 -1.72 0.00 0.00 55.73 54.67 1x52 s ARG 91 Cb -0.12 -0.44 0.04 0.00 -0.45 0.00 0.00 34.95 33.97 1x52 s ARG 91 CO 0.22 -0.30 0.20 0.42 -0.68 0.00 0.00 175.30 175.16 1x52 s ILE 92 N 1.96 4.45 -0.18 1.52 -1.09 -1.26 -2.47 121.20 124.13 1x52 s ILE 92 Ca 0.02 -0.97 -0.21 0.00 -2.23 0.00 0.00 60.65 57.27 1x52 s ILE 92 Cb -0.12 -3.52 -0.03 0.00 -1.58 0.00 0.00 42.46 37.21 1x52 s ILE 92 CO -0.03 -0.27 0.62 -0.36 -1.23 0.00 0.00 174.94 173.67 1x52 s PHE 93 N 1.52 3.40 0.06 3.97 0.40 0.24 -4.87 117.98 122.71 1x52 s PHE 93 Ca 0.02 0.94 -0.31 0.00 -0.60 0.00 0.00 56.93 56.98 1x52 s PHE 93 Cb -0.20 -2.78 -0.07 0.00 0.51 0.00 0.00 43.02 40.48 1x52 s PHE 93 CO 0.06 -0.13 1.40 0.45 0.70 0.00 0.00 175.22 177.69 1x52 s SER 94 N 1.13 6.84 0.49 1.36 0.15 -1.26 -0.38 113.70 122.03 1x52 s SER 94 Ca 0.29 2.23 0.20 0.00 0.70 0.00 0.00 55.95 59.37 1x52 s SER 94 Cb -0.16 -2.57 1.23 0.00 -1.71 0.00 0.00 66.02 62.81 1x52 s SER 94 CO 0.11 -0.68 2.00 -1.28 1.20 0.00 0.00 173.24 174.59 1x52 h SER 95 N 7.31 0.16 0.24 5.45 0.87 -1.95 -2.14 113.55 123.47 1x52 h SER 95 Ca -0.40 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.16 1x52 h SER 95 Cb 1.20 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 1x52 h SER 95 CO 0.88 0.09 0.00 0.18 -0.53 0.00 0.00 176.83 177.45 1x52 n LEU 96 N -4.44 0.00 -4.62 2.23 4.77 -1.26 -4.46 117.00 109.21 1x52 n LEU 96 Ca 0.09 0.24 -0.33 0.00 -0.03 0.00 0.00 56.01 55.98 1x52 n LEU 96 Cb 0.46 -0.24 -0.10 0.00 -2.33 0.00 0.00 43.42 41.21 1x52 n LEU 96 CO 0.35 -0.12 -0.36 -2.28 -1.33 0.00 0.00 177.39 173.65 1x52 s HIS 97 N -2.48 2.97 0.41 -1.77 2.46 -0.81 -5.03 115.29 111.05 1x52 s HIS 97 Ca 0.16 0.02 0.34 0.00 0.47 0.00 0.00 55.06 56.05 1x52 s HIS 97 Cb 0.10 -1.65 1.71 0.00 -0.13 0.00 0.00 32.58 32.61 1x52 s HIS 97 CO 0.22 0.40 2.14 -0.24 -2.47 0.00 0.00 174.74 174.79 1x52 h VAL 98 N 3.79 0.28 0.00 0.89 3.04 -1.85 0.13 116.25 122.53 1x52 h VAL 98 Ca -0.49 -0.37 -0.00 0.00 -1.01 0.00 0.00 66.70 64.83 1x52 h VAL 98 Cb 1.17 1.28 -0.00 0.00 -2.01 0.00 0.00 31.29 31.73 1x52 h VAL 98 CO 0.55 0.05 -0.01 0.28 -1.01 0.00 0.00 177.57 177.43 1x52 h SER 99 N 0.00 0.00 0.52 3.17 0.02 -1.93 -0.31 113.55 115.02 1x52 h SER 99 Ca -0.00 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.66 1x52 h SER 99 Cb 0.28 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.78 1x52 h SER 99 CO 0.01 0.01 -1.58 1.23 -1.14 0.00 0.00 176.83 175.36 1x52 h GLY 100 N 0.95 0.11 0.86 -3.77 0.00 -0.89 -1.46 103.07 98.87 1x52 h GLY 100 Ca -0.00 -0.29 0.05 0.00 0.00 0.00 0.00 47.33 47.09 1x52 h GLY 100 CO 0.00 0.25 0.64 0.83 0.00 0.00 0.00 176.54 178.27 1x52 h GLU 101 N 0.03 1.18 0.18 4.80 4.39 -1.33 -0.66 114.58 123.17 1x52 h GLU 101 Ca -0.25 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.37 1x52 h GLU 101 Cb 1.98 -0.27 0.00 0.00 -0.10 0.00 0.00 28.75 30.36 1x52 h GLU 101 CO 0.11 0.78 -0.09 1.96 -1.16 0.00 0.00 179.01 180.61 1x52 h GLN 102 N 1.21 -0.23 -0.42 2.33 4.20 -1.10 -3.12 115.11 117.97 1x52 h GLN 102 Ca 0.40 0.02 0.10 0.00 0.06 0.00 0.00 58.65 59.23 1x52 h GLN 102 Cb 0.06 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 1x52 h GLN 102 CO -0.14 0.04 0.30 1.25 -0.67 0.00 0.00 178.83 179.61 1x52 h LEU 103 N -0.49 0.09 -1.01 1.46 5.85 -0.80 -1.74 115.31 118.66 1x52 h LEU 103 Ca -0.02 0.00 0.17 0.00 0.84 0.00 0.00 57.88 58.86 1x52 h LEU 103 Cb 0.38 -0.02 -0.10 0.00 0.37 0.00 0.00 40.66 41.29 1x52 h LEU 103 CO 0.04 0.05 0.62 -1.28 -0.34 0.00 0.00 178.44 177.53 1x52 h SER 104 N 0.10 0.84 -0.16 1.25 0.87 -1.07 0.30 113.55 115.68 1x52 h SER 104 Ca 0.20 0.08 0.05 0.00 -1.23 0.00 0.00 61.79 60.88 1x52 h SER 104 Cb 0.67 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.54 1x52 h SER 104 CO -0.02 0.35 0.17 1.56 -0.53 0.00 0.00 176.83 178.36 1x52 h GLN 105 N 0.85 0.00 -0.38 2.24 4.20 -1.42 -1.02 115.11 119.58 1x52 h GLN 105 Ca 0.55 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 59.17 1x52 h GLN 105 Cb 0.76 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.48 1x52 h GLN 105 CO -0.34 0.00 0.04 1.28 -0.67 0.00 0.00 178.83 179.14 1x52 n LEU 106 N -3.85 4.39 0.00 1.46 4.77 0.53 -4.93 117.00 119.37 1x52 n LEU 106 Ca 0.01 -3.25 0.00 0.00 -0.03 0.00 0.00 56.01 52.74 1x52 n LEU 106 Cb 0.29 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 1x52 n LEU 106 CO 0.28 0.85 0.00 0.35 -1.33 0.00 0.00 177.39 177.54 1x52 n THR 107 N -0.60 0.00 -1.05 -5.08 -2.24 -0.39 -3.41 114.28 101.51 1x52 n THR 107 Ca 0.28 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.06 1x52 n THR 107 Cb 1.03 -0.16 0.00 0.00 -2.10 0.00 0.00 70.33 69.10 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 -1.99 0.42 3.09 3.38 0.00 0.74 -4.85 105.19 105.98 1x52 n GLY 108 Ca 0.00 -1.02 -0.12 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.07 0.36 1.61 0.11 -1.22 -0.71 120.40 118.49 1x52 s VAL 109 Ca 0.00 0.15 -0.14 0.00 -2.93 0.00 0.00 61.98 59.06 1x52 s VAL 109 Cb 0.00 -0.43 0.04 0.00 -1.53 0.00 0.00 36.38 34.46 1x52 s VAL 109 CO 0.00 0.06 0.71 0.00 -3.33 0.00 0.00 175.10 172.54 1x52 s ALA 110 N 1.38 -0.48 -0.05 1.54 0.00 -0.11 -1.12 121.76 122.92 1x52 s ALA 110 Ca -0.09 -0.86 -0.31 0.00 0.00 0.00 0.00 51.96 50.71 1x52 s ALA 110 Cb -0.10 0.80 0.07 0.00 0.00 0.00 0.00 23.12 23.90 1x52 s ALA 110 CO -0.09 -0.95 0.70 0.00 0.00 0.00 0.00 175.76 175.42 1x52 s ALA 111 N -2.70 -1.78 0.19 0.00 0.00 -0.23 -0.48 121.76 116.76 1x52 s ALA 111 Ca 0.18 1.31 -0.25 0.00 0.00 0.00 0.00 51.96 53.21 1x52 s ALA 111 Cb -0.04 -0.02 -0.08 0.00 0.00 0.00 0.00 23.12 22.98 1x52 s ALA 111 CO 0.13 -0.38 0.79 0.42 0.00 0.00 0.00 175.76 176.72 1x52 s ILE 112 N -1.26 4.37 0.01 0.00 1.01 0.36 -2.38 121.20 123.32 1x52 s ILE 112 Ca -0.10 1.67 0.05 0.00 0.00 0.00 0.00 60.65 62.27 1x52 s ILE 112 Cb -0.00 -4.10 -0.03 0.00 0.01 0.00 0.00 42.46 38.34 1x52 s ILE 112 CO 0.09 0.44 -0.11 -0.76 0.00 0.00 0.00 174.94 174.60 1x52 s LEU 113 N -1.36 2.93 0.49 2.97 1.43 -0.15 -1.05 118.68 123.96 1x52 s LEU 113 Ca 0.38 -0.25 0.24 0.00 -1.03 0.00 0.00 54.13 53.48 1x52 s LEU 113 Cb -0.22 -1.69 1.29 0.00 0.03 0.00 0.00 46.19 45.60 1x52 s LEU 113 CO 0.26 0.28 2.02 0.03 0.23 0.00 0.00 176.35 179.16 1x52 h ARG 114 N 4.59 0.00 -3.01 1.70 3.08 -0.91 -3.46 114.38 116.38 1x52 h ARG 114 Ca -0.48 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.56 1x52 h ARG 114 Cb 1.16 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 31.10 1x52 h ARG 114 CO 0.51 0.16 0.21 -0.59 -1.07 0.00 0.00 179.97 179.19 1x52 s PHE 115 N -4.19 -0.48 0.16 3.04 -0.12 -1.26 -5.11 117.98 110.02 1x52 s PHE 115 Ca -0.03 0.24 -0.31 0.00 -0.05 0.00 0.00 56.93 56.79 1x52 s PHE 115 Cb 0.13 0.57 -0.08 0.00 -0.63 0.00 0.00 43.02 43.01 1x52 s PHE 115 CO 0.61 -0.90 1.35 -1.25 -0.05 0.00 0.00 175.22 174.98 1x52 s PRO 116 N -3.77 4.35 -0.05 1.99 0.04 -1.26 -4.68 135.00 131.62 1x52 s PRO 116 Ca 0.02 2.07 -0.22 0.00 0.04 0.00 0.00 61.00 62.91 1x52 s PRO 116 Cb -0.02 -3.22 -0.04 0.00 0.04 0.00 0.00 34.50 31.26 1x52 s PRO 116 CO -0.10 -0.34 0.66 0.08 0.04 0.00 0.00 177.00 177.33 1x52 s VAL 117 N 0.57 5.01 -0.25 -0.36 1.01 -0.94 -4.99 120.40 120.44 1x52 s VAL 117 Ca 0.60 1.36 -0.29 0.00 0.00 0.00 0.00 61.98 63.66 1x52 s VAL 117 Cb -0.37 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 31.98 1x52 s VAL 117 CO 0.35 0.31 1.87 -2.16 0.00 0.00 0.00 175.10 175.46 1x52 s PRO 118 N 0.49 3.45 -0.29 2.72 0.04 -1.26 -4.92 135.00 135.22 1x52 s PRO 118 Ca 0.35 1.70 -0.14 0.00 0.04 0.00 0.00 61.00 62.96 1x52 s PRO 118 Cb -0.18 -4.20 0.11 0.00 0.04 0.00 0.00 34.50 30.27 1x52 s PRO 118 CO 0.17 -1.73 0.72 0.45 0.04 0.00 0.00 177.00 176.66 1x52 s SER 119 N 6.07 -0.97 0.00 6.66 0.15 -1.26 -5.10 113.70 119.26 1x52 s SER 119 Ca 0.83 1.43 0.00 0.00 0.70 0.00 0.00 55.95 58.92 1x52 s SER 119 Cb -0.27 1.76 0.00 0.00 -1.71 0.00 0.00 66.02 65.80 1x52 s SER 119 CO 0.34 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.17 1x52 n GLY 120 N 4.77 -2.16 0.09 9.45 0.00 -1.26 -4.87 105.19 111.21 1x52 n GLY 120 Ca -0.16 -1.49 -0.03 0.00 0.00 0.00 0.00 46.02 44.35 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 -0.17 -0.85 1.61 0.13 -2.03 -3.47 132.00 127.23 1x52 h PRO 121 Ca 0.00 0.01 0.13 0.00 -0.87 0.00 0.00 66.00 65.27 1x52 h PRO 121 Cb 0.00 0.04 -0.21 0.00 0.13 0.00 0.00 31.00 30.96 1x52 h PRO 121 CO 0.00 -0.11 -0.15 0.45 -0.23 0.00 0.00 178.00 177.96 1x52 s SER 122 N -3.84 -1.12 0.82 1.44 0.15 -1.26 -5.14 113.70 104.75 1x52 s SER 122 Ca -0.03 0.74 0.00 0.00 0.70 0.00 0.00 55.95 57.36 1x52 s SER 122 Cb 0.00 1.95 0.00 0.00 -1.71 0.00 0.00 66.02 66.26 1x52 s SER 122 CO 0.08 -0.21 0.00 -1.20 1.20 0.00 0.00 173.24 173.11 1x52 n SER 123 N 5.44 -4.70 0.00 5.45 7.64 -1.26 -5.27 113.62 120.92 1x52 n SER 123 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.85 1x52 n SER 123 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 1x52 n SER 123 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64