#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x52 s SER 2 N 0.00 0.83 0.00 1.61 0.01 -1.26 -5.12 113.70 109.78 1x52 s SER 2 Ca 0.00 -1.21 0.00 0.00 1.31 0.00 0.00 55.95 56.05 1x52 s SER 2 Cb 0.00 0.20 0.00 0.00 0.21 0.00 0.00 66.02 66.43 1x52 s SER 2 CO 0.00 -0.65 0.00 -1.20 0.41 0.00 0.00 173.24 171.80 1x52 n SER 3 N -0.21 0.00 -0.07 2.44 7.64 -1.26 -5.05 113.62 117.12 1x52 n SER 3 Ca -0.05 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.82 1x52 n SER 3 Cb 0.64 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.83 1x52 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x52 n GLY 4 N -0.05 0.36 3.56 0.23 0.00 -1.26 -4.94 105.19 103.10 1x52 n GLY 4 Ca 0.00 -0.06 -0.23 0.00 0.00 0.00 0.00 46.02 45.73 1x52 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x52 s SER 5 N -2.09 4.75 0.00 1.61 1.04 -1.26 -4.85 113.70 112.91 1x52 s SER 5 Ca 0.00 -0.69 0.00 0.00 0.48 0.00 0.00 55.95 55.74 1x52 s SER 5 Cb 0.00 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.56 1x52 s SER 5 CO 0.00 -3.16 0.00 -1.54 0.98 0.00 0.00 173.24 169.52 1x52 n SER 6 N 15.39 0.00 0.00 7.02 3.41 -1.26 -5.16 113.62 133.01 1x52 n SER 6 Ca 0.42 -0.77 0.00 0.00 -0.26 0.00 0.00 58.87 58.26 1x52 n SER 6 Cb 0.46 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 1x52 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x52 n GLY 7 N 0.00 0.88 3.02 5.00 0.00 -1.26 -5.12 105.19 107.71 1x52 n GLY 7 Ca 0.00 -2.03 -0.09 0.00 0.00 0.00 0.00 46.02 43.90 1x52 n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x52 s THR 8 N -1.25 0.13 -0.28 2.61 2.01 -1.26 -5.08 115.64 112.51 1x52 s THR 8 Ca 0.00 -1.04 0.20 0.00 0.31 0.00 0.00 61.69 61.16 1x52 s THR 8 Cb 0.00 -0.52 0.49 0.00 0.01 0.00 0.00 72.50 72.48 1x52 s THR 8 CO 0.00 -0.57 1.08 1.33 -0.69 0.00 0.00 174.62 175.77 1x52 n VAL 9 N 1.29 1.35 -0.72 3.82 0.24 -1.26 -5.11 118.33 117.93 1x52 n VAL 9 Ca -0.22 -3.13 -0.32 0.00 -2.04 0.00 0.00 64.34 58.64 1x52 n VAL 9 Cb 0.56 0.86 0.16 0.00 -1.47 0.00 0.00 33.84 33.95 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 -0.47 -1.24 -2.38 2.33 0.00 -1.26 -5.06 120.51 112.42 1x52 n ALA 10 Ca 0.12 -0.56 -0.09 0.00 0.00 0.00 0.00 53.44 52.91 1x52 n ALA 10 Cb 0.81 -2.10 -0.08 0.00 0.00 0.00 0.00 19.45 18.08 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 -2.47 0.24 0.18 0.00 0.15 -1.26 -5.17 113.70 105.38 1x52 s SER 11 Ca 0.65 -0.90 -0.04 0.00 0.70 0.00 0.00 55.95 56.35 1x52 s SER 11 Cb -0.23 0.31 -0.03 0.00 -1.71 0.00 0.00 66.02 64.37 1x52 s SER 11 CO 0.60 -0.73 0.19 -0.13 1.20 0.00 0.00 173.24 174.37 1x52 s ARG 12 N -3.94 1.18 0.00 5.44 0.52 -1.26 -5.17 118.95 115.72 1x52 s ARG 12 Ca 0.12 -1.45 0.00 0.00 -0.52 0.00 0.00 55.73 53.88 1x52 s ARG 12 Cb 0.06 0.31 0.00 0.00 0.52 0.00 0.00 34.95 35.84 1x52 s ARG 12 CO -0.06 -0.40 0.00 -0.11 0.02 0.00 0.00 175.30 174.75 1x52 n LEU 13 N -0.23 0.00 0.00 2.53 0.00 -1.26 -5.10 117.00 112.93 1x52 n LEU 13 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.99 1x52 n LEU 13 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.06 1x52 n LEU 13 CO 0.29 0.00 0.00 -1.20 0.00 0.00 0.00 177.39 176.48 1x52 n SER 14 N -1.08 0.00 -4.42 1.96 7.64 -1.26 -4.75 113.62 111.71 1x52 n SER 14 Ca 0.00 0.00 -0.47 0.00 1.01 0.00 0.00 58.87 59.41 1x52 n SER 14 Cb 0.00 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.06 1x52 n SER 14 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1x52 n ASP 15 N -0.84 0.45 0.02 6.43 9.92 -1.26 -4.84 116.55 126.42 1x52 n ASP 15 Ca 0.00 0.35 0.06 0.00 -0.53 0.00 0.00 54.79 54.67 1x52 n ASP 15 Cb 0.00 -0.91 0.47 0.00 -0.64 0.00 0.00 41.12 40.04 1x52 n ASP 15 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 1x52 h THR 16 N 7.67 1.04 0.11 -3.53 2.02 -1.96 0.29 112.91 118.55 1x52 h THR 16 Ca -0.07 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 1x52 h THR 16 Cb 1.35 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 68.31 1x52 h THR 16 CO 1.29 0.08 -0.05 0.11 0.37 0.00 0.00 175.52 177.32 1x52 h LYS 17 N 0.45 -0.14 -0.53 6.66 1.57 -1.99 -2.87 116.57 119.72 1x52 h LYS 17 Ca 0.16 0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.88 1x52 h LYS 17 Cb 0.09 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 1x52 h LYS 17 CO -0.04 0.33 0.06 0.00 -0.57 0.00 0.00 179.45 179.24 1x52 h ALA 18 N 0.06 0.71 0.00 3.86 0.00 -1.81 -0.30 119.26 121.77 1x52 h ALA 18 Ca -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1x52 h ALA 18 Cb 0.54 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1x52 h ALA 18 CO 0.02 0.46 0.00 0.00 0.00 0.00 0.00 179.25 179.74 1x52 n ALA 19 N -2.42 1.42 -0.06 0.00 0.00 0.97 -0.44 120.51 119.97 1x52 n ALA 19 Ca 0.02 -0.03 -0.21 0.00 0.00 0.00 0.00 53.44 53.21 1x52 n ALA 19 Cb 0.28 -1.14 -0.13 0.00 0.00 0.00 0.00 19.45 18.46 1x52 n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x52 n GLY 20 N -0.57 -0.55 0.41 0.00 0.00 -0.27 -3.27 105.19 100.94 1x52 n GLY 20 Ca 0.02 -0.17 -0.16 0.00 0.00 0.00 0.00 46.02 45.70 1x52 n GLY 20 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1x52 h GLU 21 N -0.23 -0.80 -0.47 1.61 5.08 -0.78 -1.60 114.58 117.39 1x52 h GLU 21 Ca -0.47 0.05 0.10 0.00 -1.00 0.00 0.00 59.36 58.04 1x52 h GLU 21 Cb 1.84 0.18 -0.09 0.00 0.50 0.00 0.00 28.75 31.18 1x52 h GLU 21 CO -0.05 -0.53 -0.15 0.28 -1.00 0.00 0.00 179.01 177.56 1x52 h VAL 22 N -0.83 0.47 -0.05 3.13 2.07 -0.97 -0.43 116.25 119.64 1x52 h VAL 22 Ca -0.04 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.50 1x52 h VAL 22 Cb 0.72 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1x52 h VAL 22 CO -0.04 0.00 -0.05 0.50 0.02 0.00 0.00 177.57 178.01 1x52 h LYS 23 N -0.04 -0.06 -0.43 1.57 3.11 -1.47 0.88 116.57 120.13 1x52 h LYS 23 Ca 0.23 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 58.06 1x52 h LYS 23 Cb 0.38 0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 31.61 1x52 h LYS 23 CO -0.51 -0.04 0.22 0.00 -2.81 0.00 0.00 179.45 176.32 1x52 h ALA 24 N 0.99 1.58 -0.01 5.00 0.00 -0.82 0.53 119.26 126.52 1x52 h ALA 24 Ca 0.04 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1x52 h ALA 24 Cb 0.11 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1x52 h ALA 24 CO -0.09 0.35 -0.00 1.25 0.00 0.00 0.00 179.25 180.76 1x52 h LEU 25 N 0.60 0.02 -0.10 0.00 5.85 -0.34 -2.41 115.31 118.93 1x52 h LEU 25 Ca 0.15 -0.35 0.00 0.00 0.84 0.00 0.00 57.88 58.53 1x52 h LEU 25 Cb 0.04 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1x52 h LEU 25 CO -0.02 0.36 0.06 -0.78 -0.34 0.00 0.00 178.44 177.71 1x52 h ASP 26 N -0.33 0.09 0.07 1.25 1.82 -0.52 0.48 116.42 119.28 1x52 h ASP 26 Ca 0.00 0.00 -0.13 0.00 -0.39 0.00 0.00 57.03 56.52 1x52 h ASP 26 Cb 0.35 -0.02 -0.01 0.00 0.68 0.00 0.00 39.33 40.34 1x52 h ASP 26 CO 0.00 0.07 -0.42 -0.78 -1.61 0.00 0.00 179.24 176.50 1x52 h ASP 27 N 0.12 0.47 0.77 2.28 3.58 -0.99 -1.82 116.42 120.83 1x52 h ASP 27 Ca 0.04 -0.21 -0.04 0.00 0.42 0.00 0.00 57.03 57.24 1x52 h ASP 27 Cb -0.00 -0.13 0.01 0.00 1.72 0.00 0.00 39.33 40.93 1x52 h ASP 27 CO -0.02 0.83 -0.37 0.15 -2.88 0.00 0.00 179.24 176.95 1x52 h PHE 28 N 0.36 -0.96 -0.99 0.28 3.04 -1.20 -3.22 116.94 114.25 1x52 h PHE 28 Ca 0.03 -0.02 0.13 0.00 3.98 0.00 0.00 57.97 62.08 1x52 h PHE 28 Cb 0.89 0.32 -0.08 0.00 2.56 0.00 0.00 35.95 39.63 1x52 h PHE 28 CO 0.03 -0.58 0.63 1.88 -2.02 0.00 0.00 178.31 178.24 1x52 h TYR 29 N -1.15 1.11 -0.58 0.41 0.05 -0.68 0.38 116.97 116.51 1x52 h TYR 29 Ca -0.11 0.03 0.12 0.00 0.05 0.00 0.00 58.73 58.82 1x52 h TYR 29 Cb 0.81 -0.35 -0.10 0.00 1.01 0.00 0.00 36.73 38.10 1x52 h TYR 29 CO -0.01 0.43 -0.02 -0.22 -1.05 0.00 0.00 178.16 177.29 1x52 h LYS 30 N 0.95 0.09 -0.17 4.88 3.64 -1.38 -0.42 116.57 124.17 1x52 h LYS 30 Ca 0.50 -0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 59.71 1x52 h LYS 30 Cb 0.53 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 1x52 h LYS 30 CO -0.26 0.06 -0.57 0.52 -2.27 0.00 0.00 179.45 176.93 1x52 h MET 31 N 0.10 0.52 -0.30 1.90 0.00 -1.02 -0.32 114.93 115.81 1x52 h MET 31 Ca 0.29 -0.34 0.09 0.00 0.00 0.00 0.00 59.70 59.74 1x52 h MET 31 Cb 0.47 0.04 -0.01 0.00 0.00 0.00 0.00 31.60 32.10 1x52 h MET 31 CO -0.51 0.95 0.28 1.25 0.00 0.00 0.00 176.91 178.88 1x52 h LEU 32 N 0.40 0.00 0.06 1.22 5.85 0.17 0.21 115.31 123.22 1x52 h LEU 32 Ca 0.00 0.00 -0.35 0.00 0.84 0.00 0.00 57.88 58.37 1x52 h LEU 32 Cb 1.11 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.10 1x52 h LEU 32 CO 0.11 0.00 -2.05 0.00 -0.34 0.00 0.00 178.44 176.16 1x52 n GLN 33 N -3.97 0.70 -0.04 1.25 1.13 -0.29 -4.48 117.38 111.69 1x52 n GLN 33 Ca 0.04 0.22 -0.02 0.00 -1.94 0.00 0.00 57.00 55.31 1x52 n GLN 33 Cb 0.44 -1.68 -0.01 0.00 0.11 0.00 0.00 30.24 29.10 1x52 n GLN 33 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1x52 h HIS 34 N 0.03 0.00 -2.20 1.08 3.86 -0.41 -3.46 115.15 114.05 1x52 h HIS 34 Ca -0.43 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.25 1x52 h HIS 34 Cb 2.03 0.00 -0.35 0.00 1.06 0.00 0.00 27.41 30.15 1x52 h HIS 34 CO 0.04 0.00 -0.91 -1.83 0.86 0.00 0.00 177.93 176.10 1x52 s GLU 35 N -1.57 0.89 0.18 2.45 -1.05 0.69 -5.01 118.70 115.29 1x52 s GLU 35 Ca -0.05 -1.90 0.18 0.00 -0.15 0.00 0.00 54.97 53.05 1x52 s GLU 35 Cb 0.01 -1.22 0.83 0.00 -0.44 0.00 0.00 34.13 33.30 1x52 s GLU 35 CO 0.08 -1.37 1.56 -0.35 0.95 0.00 0.00 175.26 176.13 1x52 n PRO 36 N 2.97 0.12 0.33 -4.83 -0.04 -0.92 -1.21 135.00 131.42 1x52 n PRO 36 Ca 0.27 0.44 0.18 0.00 -0.04 0.00 0.00 63.50 64.35 1x52 n PRO 36 Cb 0.48 -1.77 0.97 0.00 -0.04 0.00 0.00 33.50 33.14 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 -0.14 3.54 5.19 -1.92 0.25 116.42 123.34 1x52 h ASP 37 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1x52 h ASP 37 Cb 0.22 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.73 1x52 h ASP 37 CO 0.00 0.00 0.00 0.54 -3.12 0.00 0.00 179.24 176.66 1x52 n ARG 38 N -2.98 1.97 -3.68 3.56 1.74 -0.35 -2.40 116.66 114.52 1x52 n ARG 38 Ca -0.02 -1.84 -0.29 0.00 -0.77 0.00 0.00 57.85 54.92 1x52 n ARG 38 Cb 0.27 -1.40 -0.13 0.00 -1.02 0.00 0.00 32.46 30.18 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 -1.55 1.92 0.01 7.54 0.00 0.08 -0.86 121.76 128.89 1x52 s ALA 39 Ca 0.27 -2.41 -0.14 0.00 0.00 0.00 0.00 51.96 49.67 1x52 s ALA 39 Cb 0.18 -1.83 -0.06 0.00 0.00 0.00 0.00 23.12 21.41 1x52 s ALA 39 CO 0.26 -2.04 0.41 -0.06 0.00 0.00 0.00 175.76 174.32 1x52 s PHE 40 N 0.56 3.72 0.05 0.00 0.40 -1.03 -4.81 117.98 116.87 1x52 s PHE 40 Ca 0.17 0.98 -0.01 0.00 -0.60 0.00 0.00 56.93 57.47 1x52 s PHE 40 Cb -0.24 -2.28 -0.04 0.00 0.51 0.00 0.00 43.02 40.97 1x52 s PHE 40 CO -0.01 0.63 -0.03 1.52 0.70 0.00 0.00 175.22 178.04 1x52 s TYR 41 N -1.11 0.53 0.11 0.36 1.13 -1.26 -1.35 117.35 115.76 1x52 s TYR 41 Ca 0.24 -1.07 0.00 0.00 -1.41 0.00 0.00 57.07 54.83 1x52 s TYR 41 Cb -0.16 -0.39 0.00 0.00 -1.10 0.00 0.00 41.96 40.30 1x52 s TYR 41 CO 0.14 -0.38 0.00 0.41 -2.51 0.00 0.00 175.55 173.21 1x52 n GLY 42 N 0.10 -3.22 0.25 5.49 0.00 -0.27 -4.20 105.19 103.35 1x52 n GLY 42 Ca -0.14 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.76 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 0.23 -0.61 -0.34 0.99 5.85 -1.91 -1.30 115.31 118.21 1x52 h LEU 43 Ca 0.00 0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.92 1x52 h LEU 43 Cb 0.06 0.41 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 1x52 h LEU 43 CO 0.00 -0.22 0.21 0.50 -0.34 0.00 0.00 178.44 178.59 1x52 h LYS 44 N 0.00 0.47 0.57 1.25 1.63 -1.99 0.62 116.57 119.12 1x52 h LYS 44 Ca 0.32 -0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 60.05 1x52 h LYS 44 Cb 0.50 -0.10 0.01 0.00 -0.60 0.00 0.00 32.23 32.04 1x52 h LYS 44 CO -0.69 0.35 -0.28 1.96 -3.45 0.00 0.00 179.45 177.35 1x52 h GLN 45 N 0.45 -0.74 -0.83 1.90 4.20 -1.43 -2.89 115.11 115.77 1x52 h GLN 45 Ca 0.12 0.05 0.17 0.00 0.06 0.00 0.00 58.65 59.05 1x52 h GLN 45 Cb 0.00 0.17 -0.10 0.00 0.30 0.00 0.00 27.48 27.85 1x52 h GLN 45 CO -0.02 -0.45 0.37 0.28 -0.67 0.00 0.00 178.83 178.33 1x52 h VAL 46 N -0.90 0.62 -0.95 -0.54 2.07 -1.23 0.13 116.25 115.45 1x52 h VAL 46 Ca -0.08 -0.17 0.12 0.00 0.82 0.00 0.00 66.70 67.39 1x52 h VAL 46 Cb 0.64 0.09 -0.08 0.00 -1.52 0.00 0.00 31.29 30.41 1x52 h VAL 46 CO 0.13 0.09 0.58 -0.33 0.02 0.00 0.00 177.57 178.05 1x52 h GLU 47 N 0.48 0.88 -0.02 1.57 5.08 -0.79 0.59 114.58 122.38 1x52 h GLU 47 Ca 0.48 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.69 1x52 h GLU 47 Cb 0.77 -0.20 0.01 0.00 0.50 0.00 0.00 28.75 29.83 1x52 h GLU 47 CO -0.43 0.58 -0.34 -0.22 -1.00 0.00 0.00 179.01 177.60 1x52 h LYS 48 N 0.91 0.26 -0.89 2.33 1.63 -0.64 -2.65 116.57 117.52 1x52 h LYS 48 Ca 0.47 -0.26 0.13 0.00 -0.85 0.00 0.00 60.65 60.14 1x52 h LYS 48 Cb 0.49 0.07 -0.07 0.00 -0.60 0.00 0.00 32.23 32.12 1x52 h LYS 48 CO -0.27 0.95 0.57 0.00 -3.45 0.00 0.00 179.45 177.25 1x52 h ALA 49 N 0.31 1.76 -0.33 5.00 0.00 -0.61 -0.40 119.26 124.98 1x52 h ALA 49 Ca -0.04 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1x52 h ALA 49 Cb 1.06 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1x52 h ALA 49 CO 0.07 0.02 -0.03 -0.97 0.00 0.00 0.00 179.25 178.33 1x52 h ASN 50 N 0.76 0.60 -0.63 0.00 -1.24 -0.86 -2.52 115.58 111.69 1x52 h ASN 50 Ca 0.44 -0.33 0.08 0.00 0.71 0.00 0.00 56.30 57.19 1x52 h ASN 50 Cb 0.61 -0.16 -0.04 0.00 0.73 0.00 0.00 38.32 39.46 1x52 h ASN 50 CO -0.20 0.79 0.42 -0.33 -1.29 0.00 0.00 177.43 176.82 1x52 h GLU 51 N 0.40 0.52 0.00 6.67 5.08 -0.97 0.09 114.58 126.37 1x52 h GLU 51 Ca 0.09 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1x52 h GLU 51 Cb 0.50 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1x52 h GLU 51 CO 0.02 0.35 0.00 0.00 -1.00 0.00 0.00 179.01 178.38 1x52 n ALA 52 N -2.49 1.77 -3.94 3.43 0.00 -0.24 -4.86 120.51 114.18 1x52 n ALA 52 Ca 0.10 -0.06 -0.31 0.00 0.00 0.00 0.00 53.44 53.16 1x52 n ALA 52 Cb 0.30 -1.23 0.01 0.00 0.00 0.00 0.00 19.45 18.52 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 -1.36 -4.71 -0.00 0.00 2.81 0.02 -4.89 117.12 108.99 1x52 n MET 53 Ca 0.06 0.53 0.04 0.00 -1.81 0.00 0.00 57.70 56.52 1x52 n MET 53 Cb 0.13 -5.37 -0.05 0.00 -0.71 0.00 0.00 33.22 27.22 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 -4.49 3.07 -2.32 3.04 0.00 -0.98 -4.97 120.51 113.85 1x52 n ALA 54 Ca 0.05 -0.24 -0.43 0.00 0.00 0.00 0.00 53.44 52.82 1x52 n ALA 54 Cb 0.52 -0.31 -0.02 0.00 0.00 0.00 0.00 19.45 19.64 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 -1.84 3.90 -0.02 0.00 1.01 -1.25 -0.43 121.20 122.57 1x52 s ILE 55 Ca 0.03 0.94 -0.20 0.00 0.00 0.00 0.00 60.65 61.42 1x52 s ILE 55 Cb 0.06 -4.13 -0.12 0.00 0.01 0.00 0.00 42.46 38.29 1x52 s ILE 55 CO 0.35 -0.66 0.86 -0.78 0.00 0.00 0.00 174.94 174.70 1x52 h ASP 56 N 10.63 -0.56 -3.57 3.58 3.58 -1.39 -3.30 116.42 125.37 1x52 h ASP 56 Ca -0.28 -0.02 -0.19 0.00 0.42 0.00 0.00 57.03 56.97 1x52 h ASP 56 Cb 1.11 0.15 -0.28 0.00 1.72 0.00 0.00 39.33 42.03 1x52 h ASP 56 CO 1.07 -0.15 -0.48 -0.89 -2.88 0.00 0.00 179.24 175.91 1x52 s THR 57 N -3.91 -0.02 -0.06 2.25 2.01 -1.17 -0.60 115.64 114.14 1x52 s THR 57 Ca -0.11 0.08 0.00 0.00 0.31 0.00 0.00 61.69 61.97 1x52 s THR 57 Cb 0.01 -0.34 -0.03 0.00 0.01 0.00 0.00 72.50 72.15 1x52 s THR 57 CO 0.34 0.03 -0.03 -0.22 -0.69 0.00 0.00 174.62 174.05 1x52 s LEU 58 N 0.71 3.38 -0.12 4.42 2.96 0.15 -0.53 118.68 129.66 1x52 s LEU 58 Ca -0.05 0.04 0.01 0.00 -0.22 0.00 0.00 54.13 53.91 1x52 s LEU 58 Cb -0.06 -1.80 -0.01 0.00 0.50 0.00 0.00 46.19 44.82 1x52 s LEU 58 CO -0.04 0.35 -0.17 -0.76 -1.32 0.00 0.00 176.35 174.41 1x52 s LEU 59 N -0.99 2.47 -0.05 -0.68 1.43 0.62 -0.84 118.68 120.65 1x52 s LEU 59 Ca 0.14 -0.42 -0.02 0.00 -1.03 0.00 0.00 54.13 52.80 1x52 s LEU 59 Cb -0.11 -1.53 0.03 0.00 0.03 0.00 0.00 46.19 44.61 1x52 s LEU 59 CO 0.03 0.16 0.10 -0.51 0.23 0.00 0.00 176.35 176.37 1x52 s ILE 60 N 0.37 -0.04 0.17 -0.59 2.07 -1.01 -1.01 121.20 121.16 1x52 s ILE 60 Ca -0.14 0.16 -0.32 0.00 -1.41 0.00 0.00 60.65 58.95 1x52 s ILE 60 Cb -0.17 -0.18 -0.10 0.00 0.13 0.00 0.00 42.46 42.14 1x52 s ILE 60 CO 0.07 0.07 1.60 -0.44 -1.91 0.00 0.00 174.94 174.32 1x52 s SER 61 N 0.97 6.55 0.44 4.50 0.01 0.13 -0.63 113.70 125.67 1x52 s SER 61 Ca -0.08 2.66 0.20 0.00 1.31 0.00 0.00 55.95 60.05 1x52 s SER 61 Cb -0.10 -2.59 1.17 0.00 0.21 0.00 0.00 66.02 64.70 1x52 s SER 61 CO -0.04 -0.85 1.86 -2.24 0.41 0.00 0.00 173.24 172.38 1x52 h ASP 62 N 6.81 0.32 0.03 2.44 3.04 -1.32 -0.97 116.42 126.77 1x52 h ASP 62 Ca -0.43 0.04 -0.00 0.00 -3.24 0.00 0.00 57.03 53.40 1x52 h ASP 62 Cb 1.20 -0.02 -0.00 0.00 -1.04 0.00 0.00 39.33 39.47 1x52 h ASP 62 CO 0.92 0.12 -0.00 1.05 -2.04 0.00 0.00 179.24 179.29 1x52 h GLU 63 N 0.32 0.00 0.11 4.15 4.11 -1.91 -0.34 114.58 121.02 1x52 h GLU 63 Ca 0.46 0.00 -0.36 0.00 0.07 0.00 0.00 59.36 59.53 1x52 h GLU 63 Cb 1.29 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.52 1x52 h GLU 63 CO -0.15 0.00 -2.01 1.28 0.07 0.00 0.00 179.01 178.21 1x52 n LEU 64 N -3.38 2.63 0.30 3.06 4.77 -0.39 -2.80 117.00 121.19 1x52 n LEU 64 Ca -0.03 0.19 0.17 0.00 -0.03 0.00 0.00 56.01 56.31 1x52 n LEU 64 Cb 0.08 -1.10 0.86 0.00 -2.33 0.00 0.00 43.42 40.93 1x52 n LEU 64 CO 0.23 0.84 1.14 0.15 -1.33 0.00 0.00 177.39 178.42 1x52 h PHE 65 N 0.02 0.00 0.00 -1.77 3.57 -0.83 -2.55 116.94 115.38 1x52 h PHE 65 Ca -0.43 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.07 1x52 h PHE 65 Cb 1.99 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.73 1x52 h PHE 65 CO 0.07 0.00 -0.17 2.89 -2.23 0.00 0.00 178.31 178.88 1x52 n ARG 66 N -3.07 0.86 -1.54 1.11 1.85 -0.43 -4.85 116.66 110.60 1x52 n ARG 66 Ca -0.01 -2.07 -0.41 0.00 -1.00 0.00 0.00 57.85 54.36 1x52 n ARG 66 Cb 0.37 -1.17 0.01 0.00 -1.05 0.00 0.00 32.46 30.62 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 -0.97 0.35 -0.09 2.89 -0.00 -0.96 -4.92 115.22 111.52 1x52 n HIS 67 Ca 0.11 0.57 -0.09 0.00 0.46 0.00 0.00 57.72 58.77 1x52 n HIS 67 Cb 0.66 -2.11 -0.02 0.00 -0.12 0.00 0.00 29.99 28.40 1x52 n HIS 67 CO 0.00 0.00 0.00 -0.56 0.46 0.00 0.00 176.34 176.24 1x52 h GLN 68 N 1.10 0.43 -6.38 1.57 3.07 -1.92 -3.40 115.11 109.57 1x52 h GLN 68 Ca -0.43 -0.05 -0.57 0.00 0.09 0.00 0.00 58.65 57.70 1x52 h GLN 68 Cb 1.37 -0.09 -0.04 0.00 0.08 0.00 0.00 27.48 28.80 1x52 h GLN 68 CO 0.54 0.35 1.18 0.34 0.09 0.00 0.00 178.83 181.33 1x52 s ASP 69 N -5.58 6.12 0.32 0.06 -1.08 -1.26 -4.88 116.67 110.37 1x52 s ASP 69 Ca -0.13 1.13 0.01 0.00 -0.52 0.00 0.00 52.55 53.04 1x52 s ASP 69 Cb 0.09 -2.53 0.54 0.00 -1.46 0.00 0.00 42.92 39.56 1x52 s ASP 69 CO 0.72 -1.56 1.93 0.58 0.52 0.00 0.00 175.17 177.36 1x52 h VAL 70 N 6.62 1.19 0.00 1.11 2.07 -1.99 0.84 116.25 126.09 1x52 h VAL 70 Ca -0.31 -0.53 -0.11 0.00 0.82 0.00 0.00 66.70 66.57 1x52 h VAL 70 Cb 1.14 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 1x52 h VAL 70 CO 1.05 0.22 -0.53 0.00 0.02 0.00 0.00 177.57 178.33 1x52 h ALA 71 N 1.50 1.10 -0.02 1.67 0.00 -1.94 0.24 119.26 121.80 1x52 h ALA 71 Ca 0.20 -0.49 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1x52 h ALA 71 Cb 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1x52 h ALA 71 CO -0.03 0.67 -0.10 1.15 0.00 0.00 0.00 179.25 180.94 1x52 h THR 72 N 0.00 1.49 -0.25 0.00 2.02 -1.72 -3.03 112.91 111.42 1x52 h THR 72 Ca -0.01 -1.59 0.05 0.00 0.77 0.00 0.00 66.41 65.63 1x52 h THR 72 Cb 0.96 2.49 -0.05 0.00 -1.74 0.00 0.00 68.15 69.82 1x52 h THR 72 CO 0.07 0.43 -0.06 -0.09 0.37 0.00 0.00 175.52 176.24 1x52 h ARG 73 N -0.50 0.00 -0.73 6.66 2.43 -0.79 -3.01 114.38 118.44 1x52 h ARG 73 Ca -0.01 -0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.26 1x52 h ARG 73 Cb 0.75 -0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.23 1x52 h ARG 73 CO 0.02 0.00 0.37 0.66 -1.51 0.00 0.00 179.97 179.51 1x52 h SER 74 N 0.00 0.49 0.29 -3.80 4.64 -0.55 -0.91 113.55 113.71 1x52 h SER 74 Ca 0.12 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1x52 h SER 74 Cb 0.18 -0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 62.22 1x52 h SER 74 CO -0.26 0.28 -0.40 0.03 -0.87 0.00 0.00 176.83 175.61 1x52 h ARG 75 N 0.63 -0.71 0.04 4.77 3.08 -1.40 0.09 114.38 120.87 1x52 h ARG 75 Ca 0.36 0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.48 1x52 h ARG 75 Cb 0.38 0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.56 1x52 h ARG 75 CO -0.27 -0.48 -0.20 1.88 -1.07 0.00 0.00 179.97 179.83 1x52 h TYR 76 N -0.74 -0.53 -0.55 3.04 0.05 -1.20 -0.22 116.97 116.82 1x52 h TYR 76 Ca -0.01 0.01 -0.09 0.00 0.05 0.00 0.00 58.73 58.70 1x52 h TYR 76 Cb 0.70 0.23 -0.02 0.00 1.01 0.00 0.00 36.73 38.64 1x52 h TYR 76 CO -0.27 -0.29 0.00 -0.39 -1.05 0.00 0.00 178.16 176.17 1x52 h VAL 77 N -0.34 1.26 0.09 -2.88 -1.51 -1.06 0.69 116.25 112.49 1x52 h VAL 77 Ca 0.05 -1.09 0.01 0.00 -1.23 0.00 0.00 66.70 64.44 1x52 h VAL 77 Cb 0.40 0.83 -0.02 0.00 -2.13 0.00 0.00 31.29 30.36 1x52 h VAL 77 CO -0.16 0.39 -0.14 0.03 -1.23 0.00 0.00 177.57 176.46 1x52 h ARG 78 N 0.87 -0.27 -0.56 5.19 2.47 -0.79 -0.64 114.38 120.65 1x52 h ARG 78 Ca 0.16 0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.89 1x52 h ARG 78 Cb 0.51 0.06 -0.03 0.00 -1.65 0.00 0.00 29.97 28.86 1x52 h ARG 78 CO 0.02 -0.18 0.30 1.25 0.56 0.00 0.00 179.97 181.93 1x52 h LEU 79 N -0.28 0.71 -0.35 3.04 5.85 -0.76 -0.06 115.31 123.46 1x52 h LEU 79 Ca 0.02 -0.10 0.07 0.00 0.84 0.00 0.00 57.88 58.71 1x52 h LEU 79 Cb 0.30 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 41.08 1x52 h LEU 79 CO -0.08 0.61 -0.11 0.58 -0.34 0.00 0.00 178.44 179.10 1x52 h VAL 80 N 0.76 0.60 -0.48 1.05 2.07 -0.63 -0.11 116.25 119.51 1x52 h VAL 80 Ca 0.20 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.70 1x52 h VAL 80 Cb 0.06 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 1x52 h VAL 80 CO -0.03 0.00 0.21 -0.78 0.02 0.00 0.00 177.57 176.99 1x52 h ASP 81 N -0.04 0.65 0.18 0.57 1.82 -0.59 -2.83 116.42 116.17 1x52 h ASP 81 Ca 0.17 -0.15 -0.05 0.00 -0.39 0.00 0.00 57.03 56.61 1x52 h ASP 81 Cb 0.30 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 40.13 1x52 h ASP 81 CO -0.38 0.61 -0.21 0.28 -1.61 0.00 0.00 179.24 177.93 1x52 h SER 82 N 0.64 0.06 -0.41 2.28 0.02 -0.61 -1.00 113.55 114.54 1x52 h SER 82 Ca 0.16 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.07 1x52 h SER 82 Cb 0.15 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 1x52 h SER 82 CO -0.02 0.28 0.14 0.58 -1.14 0.00 0.00 176.83 176.68 1x52 h VAL 83 N 0.06 1.21 -0.32 2.27 2.07 -0.80 -1.27 116.25 119.48 1x52 h VAL 83 Ca 0.01 -0.66 -0.05 0.00 0.82 0.00 0.00 66.70 66.82 1x52 h VAL 83 Cb 0.41 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1x52 h VAL 83 CO 0.03 0.24 -0.01 0.11 0.02 0.00 0.00 177.57 177.95 1x52 h LYS 84 N 0.51 0.50 -0.46 1.57 1.57 -1.04 0.65 116.57 119.87 1x52 h LYS 84 Ca 0.13 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 1x52 h LYS 84 Cb 0.23 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 1x52 h LYS 84 CO -0.01 0.54 0.11 0.93 -0.57 0.00 0.00 179.45 180.45 1x52 h GLU 85 N 0.48 0.69 -0.86 3.15 5.08 -0.93 -2.77 114.58 119.41 1x52 h GLU 85 Ca 0.10 -0.13 -0.13 0.00 -1.00 0.00 0.00 59.36 58.21 1x52 h GLU 85 Cb 0.34 -0.11 -0.08 0.00 0.50 0.00 0.00 28.75 29.40 1x52 h GLU 85 CO 0.01 0.63 0.16 0.09 -1.00 0.00 0.00 179.01 178.90 1x52 n ASN 86 N -4.30 3.62 -2.32 1.42 3.02 -0.50 -4.90 115.26 111.30 1x52 n ASN 86 Ca 0.03 -2.71 -0.16 0.00 -0.03 0.00 0.00 54.58 51.71 1x52 n ASN 86 Cb 0.21 -0.65 -0.01 0.00 -0.61 0.00 0.00 39.78 38.72 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 0.01 -0.65 -2.67 5.41 0.00 -1.00 -4.84 120.51 116.78 1x52 n ALA 87 Ca 0.24 0.15 -0.34 0.00 0.00 0.00 0.00 53.44 53.49 1x52 n ALA 87 Cb 0.96 -1.82 -0.05 0.00 0.00 0.00 0.00 19.45 18.54 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 -2.08 2.29 0.55 0.00 0.00 0.11 -4.90 107.32 103.30 1x52 s GLY 88 Ca 0.00 -0.49 -0.16 0.00 0.00 0.00 0.00 44.72 44.07 1x52 s GLY 88 CO 0.00 -0.30 1.01 -1.59 0.00 0.00 0.00 173.10 172.22 1x52 s THR 89 N -1.39 4.30 0.10 0.90 2.01 0.24 -3.59 115.64 118.22 1x52 s THR 89 Ca 0.32 1.07 0.08 0.00 0.31 0.00 0.00 61.69 63.47 1x52 s THR 89 Cb -0.13 -3.61 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 1x52 s THR 89 CO 0.18 -0.66 -0.15 -0.69 -0.69 0.00 0.00 174.62 172.61 1x52 s VAL 90 N -2.61 3.04 -0.05 3.82 1.01 -1.26 -0.67 120.40 123.67 1x52 s VAL 90 Ca 0.60 -1.37 -0.01 0.00 0.00 0.00 0.00 61.98 61.20 1x52 s VAL 90 Cb -0.12 -2.39 0.03 0.00 0.00 0.00 0.00 36.38 33.90 1x52 s VAL 90 CO 0.35 0.14 0.02 -0.13 0.00 0.00 0.00 175.10 175.48 1x52 s ARG 91 N -2.07 0.32 -0.27 2.72 1.81 -0.02 -4.84 118.95 116.60 1x52 s ARG 91 Ca 0.19 0.20 -0.20 0.00 -1.72 0.00 0.00 55.73 54.21 1x52 s ARG 91 Cb -0.11 -0.74 -0.02 0.00 -0.45 0.00 0.00 34.95 33.64 1x52 s ARG 91 CO 0.11 -0.29 0.59 0.42 -0.68 0.00 0.00 175.30 175.45 1x52 s ILE 92 N 1.92 5.00 -0.18 1.52 -1.09 -1.26 -2.40 121.20 124.72 1x52 s ILE 92 Ca 0.03 0.99 -0.20 0.00 -2.23 0.00 0.00 60.65 59.24 1x52 s ILE 92 Cb -0.12 -3.92 -0.03 0.00 -1.58 0.00 0.00 42.46 36.81 1x52 s ILE 92 CO -0.04 0.01 0.59 -0.36 -1.23 0.00 0.00 174.94 173.91 1x52 s PHE 93 N 2.47 3.41 -0.27 3.97 0.40 0.20 -4.90 117.98 123.25 1x52 s PHE 93 Ca 0.24 0.91 -0.28 0.00 -0.60 0.00 0.00 56.93 57.21 1x52 s PHE 93 Cb -0.15 -2.73 -0.04 0.00 0.51 0.00 0.00 43.02 40.60 1x52 s PHE 93 CO 0.09 -0.09 2.08 -1.12 0.70 0.00 0.00 175.22 176.89 1x52 s SER 94 N 1.07 5.57 0.56 1.36 0.01 -1.26 -0.82 113.70 120.20 1x52 s SER 94 Ca 0.28 1.65 0.26 0.00 1.31 0.00 0.00 55.95 59.45 1x52 s SER 94 Cb -0.16 -2.52 1.53 0.00 0.21 0.00 0.00 66.02 65.09 1x52 s SER 94 CO 0.11 -1.91 2.08 0.28 0.41 0.00 0.00 173.24 174.21 1x52 h SER 95 N 14.45 0.00 0.16 2.44 0.02 -1.94 -1.71 113.55 126.97 1x52 h SER 95 Ca -0.38 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.49 1x52 h SER 95 Cb 1.21 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.74 1x52 h SER 95 CO 0.99 0.00 -0.30 -0.07 -1.14 0.00 0.00 176.83 176.32 1x52 h LEU 96 N 0.00 0.22-10.29 5.07 -0.00 -1.96 -3.37 115.31 104.99 1x52 h LEU 96 Ca 0.11 -0.07 -0.51 0.00 -0.00 0.00 0.00 57.88 57.41 1x52 h LEU 96 Cb 0.55 -0.06 0.11 0.00 -0.00 0.00 0.00 40.66 41.25 1x52 h LEU 96 CO -0.00 0.52 0.35 -2.28 -0.00 0.00 0.00 178.44 177.03 1x52 s HIS 97 N -4.38 2.76 0.32 1.13 2.46 -0.64 -4.88 115.29 112.07 1x52 s HIS 97 Ca -0.05 1.52 0.38 0.00 0.47 0.00 0.00 55.06 57.38 1x52 s HIS 97 Cb 0.14 -3.02 1.82 0.00 -0.13 0.00 0.00 32.58 31.39 1x52 s HIS 97 CO 0.75 -1.56 2.14 -0.24 -2.47 0.00 0.00 174.74 173.36 1x52 h VAL 98 N -0.64 0.00 0.00 0.89 3.04 -1.88 0.11 116.25 117.77 1x52 h VAL 98 Ca -0.45 -0.27 -0.04 0.00 -1.01 0.00 0.00 66.70 64.93 1x52 h VAL 98 Cb 1.23 1.24 -0.01 0.00 -2.01 0.00 0.00 31.29 31.74 1x52 h VAL 98 CO 0.54 0.00 -0.21 0.28 -1.01 0.00 0.00 177.57 177.16 1x52 h SER 99 N 0.00 0.00 -0.03 3.17 0.02 -1.92 -0.74 113.55 114.05 1x52 h SER 99 Ca 0.00 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.77 1x52 h SER 99 Cb 0.27 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.82 1x52 h SER 99 CO 0.00 0.21 -0.69 1.23 -1.14 0.00 0.00 176.83 176.45 1x52 h GLY 100 N 2.36 0.57 0.22 -3.77 0.00 -0.96 -0.52 103.07 100.96 1x52 h GLY 100 Ca -0.00 -0.94 0.10 0.00 0.00 0.00 0.00 47.33 46.48 1x52 h GLY 100 CO 0.03 0.84 0.06 0.83 0.00 0.00 0.00 176.54 178.29 1x52 h GLU 101 N 0.07 0.18 -0.51 4.80 4.39 -1.33 0.25 114.58 122.42 1x52 h GLU 101 Ca -0.08 -0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.54 1x52 h GLU 101 Cb 1.37 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.96 1x52 h GLU 101 CO 0.14 0.12 0.05 1.96 -1.16 0.00 0.00 179.01 180.11 1x52 h GLN 102 N 0.18 0.86 -0.33 2.33 4.20 -1.14 -2.72 115.11 118.49 1x52 h GLN 102 Ca 0.27 -0.25 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 1x52 h GLN 102 Cb 0.39 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 1x52 h GLN 102 CO -0.39 0.87 0.10 1.25 -0.67 0.00 0.00 178.83 179.99 1x52 h LEU 103 N 0.73 0.42 -1.35 1.46 5.85 -0.40 -2.85 115.31 119.17 1x52 h LEU 103 Ca 0.15 -0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.84 1x52 h LEU 103 Cb 0.45 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 1x52 h LEU 103 CO 0.02 0.42 0.45 0.28 -0.34 0.00 0.00 178.44 179.26 1x52 h SER 104 N 0.46 0.75 -0.01 1.25 0.02 -0.64 0.30 113.55 115.68 1x52 h SER 104 Ca 0.11 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1x52 h SER 104 Cb 0.15 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.51 1x52 h SER 104 CO -0.01 0.53 0.09 1.56 -1.14 0.00 0.00 176.83 177.87 1x52 h GLN 105 N 0.88 0.00 -0.25 3.45 4.20 -1.49 -0.78 115.11 121.12 1x52 h GLN 105 Ca 0.26 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.93 1x52 h GLN 105 Cb -0.04 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 1x52 h GLN 105 CO -0.06 0.00 -0.01 1.28 -0.67 0.00 0.00 178.83 179.37 1x52 n LEU 106 N -3.12 3.75 0.00 1.46 4.77 0.57 -4.95 117.00 119.48 1x52 n LEU 106 Ca -0.02 -3.18 0.00 0.00 -0.03 0.00 0.00 56.01 52.78 1x52 n LEU 106 Cb 0.16 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 1x52 n LEU 106 CO 0.19 0.79 0.00 0.35 -1.33 0.00 0.00 177.39 177.39 1x52 n THR 107 N -0.75 0.00 -0.64 -5.08 -2.24 -0.30 -3.51 114.28 101.77 1x52 n THR 107 Ca 0.23 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.01 1x52 n THR 107 Cb 0.89 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 69.00 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 -2.00 0.64 2.88 3.38 0.00 0.76 -4.84 105.19 106.01 1x52 n GLY 108 Ca 0.00 -0.38 -0.14 0.00 0.00 0.00 0.00 46.02 45.50 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 0.35 1.61 0.11 -1.23 -0.69 120.40 118.52 1x52 s VAL 109 Ca 0.00 0.14 -0.17 0.00 -2.93 0.00 0.00 61.98 59.02 1x52 s VAL 109 Cb 0.00 -0.14 0.05 0.00 -1.53 0.00 0.00 36.38 34.76 1x52 s VAL 109 CO 0.00 0.06 0.80 0.00 -3.33 0.00 0.00 175.10 172.62 1x52 s ALA 110 N 0.79 -0.88 -0.07 1.54 0.00 -0.18 -1.11 121.76 121.84 1x52 s ALA 110 Ca -0.06 -0.64 -0.31 0.00 0.00 0.00 0.00 51.96 50.95 1x52 s ALA 110 Cb -0.09 0.71 0.08 0.00 0.00 0.00 0.00 23.12 23.82 1x52 s ALA 110 CO -0.03 -1.00 0.71 0.00 0.00 0.00 0.00 175.76 175.44 1x52 s ALA 111 N -2.56 -1.79 0.23 0.00 0.00 -0.46 -0.27 121.76 116.92 1x52 s ALA 111 Ca 0.15 1.38 -0.24 0.00 0.00 0.00 0.00 51.96 53.26 1x52 s ALA 111 Cb -0.05 -0.13 -0.09 0.00 0.00 0.00 0.00 23.12 22.86 1x52 s ALA 111 CO 0.10 -0.36 0.81 0.42 0.00 0.00 0.00 175.76 176.73 1x52 s ILE 112 N -1.10 4.39 0.03 0.00 1.01 0.31 -2.47 121.20 123.36 1x52 s ILE 112 Ca -0.10 1.59 0.03 0.00 0.00 0.00 0.00 60.65 62.18 1x52 s ILE 112 Cb -0.00 -4.01 -0.04 0.00 0.01 0.00 0.00 42.46 38.42 1x52 s ILE 112 CO 0.09 0.30 -0.02 -0.76 0.00 0.00 0.00 174.94 174.55 1x52 s LEU 113 N -1.70 3.40 0.19 2.97 1.43 -0.04 -1.04 118.68 123.89 1x52 s LEU 113 Ca 0.42 -0.10 -0.12 0.00 -1.03 0.00 0.00 54.13 53.31 1x52 s LEU 113 Cb -0.20 -2.01 0.13 0.00 0.03 0.00 0.00 46.19 44.14 1x52 s LEU 113 CO 0.24 0.25 1.84 0.03 0.23 0.00 0.00 176.35 178.93 1x52 h ARG 114 N 4.12 0.72 -4.11 1.70 3.08 -1.06 -3.45 114.38 115.39 1x52 h ARG 114 Ca -0.48 -0.04 -0.12 0.00 0.07 0.00 0.00 59.98 59.40 1x52 h ARG 114 Cb 1.17 -0.16 -0.14 0.00 0.08 0.00 0.00 29.97 30.91 1x52 h ARG 114 CO 0.57 0.48 -0.54 -0.59 -1.07 0.00 0.00 179.97 178.82 1x52 s PHE 115 N -6.13 0.47 -0.26 3.04 -0.12 -1.26 -5.09 117.98 108.62 1x52 s PHE 115 Ca -0.13 -0.93 -0.29 0.00 -0.05 0.00 0.00 56.93 55.53 1x52 s PHE 115 Cb 0.14 -0.27 -0.02 0.00 -0.63 0.00 0.00 43.02 42.24 1x52 s PHE 115 CO 0.75 -0.50 1.56 -1.25 -0.05 0.00 0.00 175.22 175.74 1x52 s PRO 116 N -3.93 3.75 0.00 1.99 0.04 -1.26 -4.63 135.00 130.96 1x52 s PRO 116 Ca 0.11 1.50 -0.30 0.00 0.04 0.00 0.00 61.00 62.35 1x52 s PRO 116 Cb 0.06 -4.02 -0.06 0.00 0.04 0.00 0.00 34.50 30.52 1x52 s PRO 116 CO -0.07 -1.34 1.48 0.08 0.04 0.00 0.00 177.00 177.20 1x52 s VAL 117 N 5.23 3.57 -0.53 -0.36 1.01 -1.01 -4.90 120.40 123.41 1x52 s VAL 117 Ca 0.69 0.93 0.00 0.00 0.00 0.00 0.00 61.98 63.60 1x52 s VAL 117 Cb -0.22 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.56 1x52 s VAL 117 CO 0.29 -0.02 0.67 -0.81 0.00 0.00 0.00 175.10 175.23 1x52 n PRO 118 N 5.71 0.91 -3.67 2.72 -0.04 -1.26 -4.70 135.00 134.67 1x52 n PRO 118 Ca 0.14 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.50 1x52 n PRO 118 Cb 0.43 -1.26 -0.11 0.00 -0.04 0.00 0.00 33.50 32.51 1x52 n PRO 118 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x52 s SER 119 N 0.42 -0.04 0.00 3.54 0.15 -1.26 -5.15 113.70 111.35 1x52 s SER 119 Ca 0.00 0.81 0.00 0.00 0.70 0.00 0.00 55.95 57.46 1x52 s SER 119 Cb 0.00 1.01 0.00 0.00 -1.71 0.00 0.00 66.02 65.32 1x52 s SER 119 CO 0.00 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.82 1x52 n GLY 120 N 5.24 -0.78 0.09 9.45 0.00 -1.26 -5.01 105.19 112.92 1x52 n GLY 120 Ca -0.09 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.33 1.06 -1.57 1.61 -0.04 -1.26 -4.94 135.00 129.53 1x52 n PRO 121 Ca 0.00 -0.08 -0.39 0.00 -0.04 0.00 0.00 63.50 62.99 1x52 n PRO 121 Cb 0.00 -1.07 0.03 0.00 -0.04 0.00 0.00 33.50 32.42 1x52 n PRO 121 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x52 n SER 122 N -0.39 0.45 -3.46 3.54 2.88 -1.26 -5.01 113.62 110.38 1x52 n SER 122 Ca 0.01 0.86 -0.23 0.00 -1.33 0.00 0.00 58.87 58.19 1x52 n SER 122 Cb 0.05 -1.32 -0.12 0.00 -0.75 0.00 0.00 64.21 62.07 1x52 n SER 122 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x52 s SER 123 N -1.06 2.48 0.00 -3.46 1.04 -1.26 -5.24 113.70 106.19 1x52 s SER 123 Ca 0.70 -1.09 0.00 0.00 0.48 0.00 0.00 55.95 56.04 1x52 s SER 123 Cb -0.47 0.12 0.00 0.00 0.10 0.00 0.00 66.02 65.76 1x52 s SER 123 CO 0.52 -0.40 0.00 0.61 0.98 0.00 0.00 173.24 174.95