#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 2.62 -0.18 1.61 0.15 -1.26 -5.03 113.70 111.61 1x52 s SER 2 Ca 0.00 -1.11 0.14 0.00 0.70 0.00 0.00 55.95 55.68 1x52 s SER 2 Cb 0.00 0.06 0.38 0.00 -1.71 0.00 0.00 66.02 64.74 1x52 s SER 2 CO 0.00 -0.41 1.21 -1.20 1.20 0.00 0.00 173.24 174.04 1x52 n SER 3 N 5.19 2.01 -0.23 5.45 7.64 -1.26 -5.09 113.62 127.33 1x52 n SER 3 Ca -0.03 -3.59 0.00 0.00 1.01 0.00 0.00 58.87 56.27 1x52 n SER 3 Cb 0.44 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 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 -1.23 -0.87 3.35 0.23 0.00 -1.26 -4.98 105.19 100.43 1x52 n GLY 4 Ca 0.18 -1.14 -0.13 0.00 0.00 0.00 0.00 46.02 44.94 1x52 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x52 s SER 5 N -4.00 -0.34 0.36 1.61 0.15 -1.26 -5.19 113.70 105.04 1x52 s SER 5 Ca 0.00 -0.02 -0.02 0.00 0.70 0.00 0.00 55.95 56.61 1x52 s SER 5 Cb 0.00 0.47 0.01 0.00 -1.71 0.00 0.00 66.02 64.78 1x52 s SER 5 CO 0.00 -0.74 0.51 -0.55 1.20 0.00 0.00 173.24 173.66 1x52 s SER 6 N -2.21 0.98 0.11 5.45 0.15 -1.26 -5.19 113.70 111.74 1x52 s SER 6 Ca -0.03 -1.52 -0.25 0.00 0.70 0.00 0.00 55.95 54.85 1x52 s SER 6 Cb -0.00 0.69 0.08 0.00 -1.71 0.00 0.00 66.02 65.08 1x52 s SER 6 CO -0.05 -1.36 0.74 -0.83 1.20 0.00 0.00 173.24 172.94 1x52 s GLY 7 N -3.25 -0.49 -0.05 9.45 0.00 -1.26 -5.19 107.32 106.54 1x52 s GLY 7 Ca 0.30 0.57 -0.20 0.00 0.00 0.00 0.00 44.72 45.39 1x52 s GLY 7 CO 0.21 0.19 0.44 -1.08 0.00 0.00 0.00 173.10 172.86 1x52 s THR 8 N -3.51 0.03 -0.26 0.90 -1.32 -1.26 -5.16 115.64 105.06 1x52 s THR 8 Ca 0.04 -0.26 -0.01 0.00 -1.21 0.00 0.00 61.69 60.25 1x52 s THR 8 Cb -0.01 -0.73 0.15 0.00 -1.51 0.00 0.00 72.50 70.39 1x52 s THR 8 CO -0.09 -0.14 0.41 0.54 -2.21 0.00 0.00 174.62 173.13 1x52 s VAL 9 N -1.04 -0.65 0.04 5.08 0.11 -1.26 -5.15 120.40 117.54 1x52 s VAL 9 Ca -0.11 -0.14 -0.01 0.00 -2.93 0.00 0.00 61.98 58.79 1x52 s VAL 9 Cb -0.03 -0.89 -0.04 0.00 -1.53 0.00 0.00 36.38 33.89 1x52 s VAL 9 CO 0.05 -0.17 -0.03 0.00 -3.33 0.00 0.00 175.10 171.62 1x52 s ALA 10 N 2.57 0.43 0.22 1.54 0.00 -1.26 -5.18 121.76 120.09 1x52 s ALA 10 Ca 0.12 -1.07 -0.22 0.00 0.00 0.00 0.00 51.96 50.79 1x52 s ALA 10 Cb -0.14 0.24 0.06 0.00 0.00 0.00 0.00 23.12 23.27 1x52 s ALA 10 CO -0.21 -0.32 0.91 -1.12 0.00 0.00 0.00 175.76 175.01 1x52 s SER 11 N -2.59 -0.12 0.00 0.00 0.01 -1.26 -5.12 113.70 104.62 1x52 s SER 11 Ca 0.02 -0.63 0.00 0.00 1.31 0.00 0.00 55.95 56.65 1x52 s SER 11 Cb 0.04 0.60 0.00 0.00 0.21 0.00 0.00 66.02 66.86 1x52 s SER 11 CO -0.08 -1.14 0.00 -1.14 0.41 0.00 0.00 173.24 171.29 1x52 n ARG 12 N -0.53 0.00 -3.10 12.44 0.00 -1.26 -5.12 116.66 119.08 1x52 n ARG 12 Ca -0.05 0.00 -0.00 0.00 -0.00 0.00 0.00 57.85 57.80 1x52 n ARG 12 Cb 0.60 -0.45 -0.00 0.00 0.00 0.00 0.00 32.46 32.61 1x52 n ARG 12 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1x52 n LEU 13 N -1.30 -4.35 -3.83 6.15 7.99 -1.26 -5.07 117.00 115.33 1x52 n LEU 13 Ca 0.00 0.62 -0.12 0.00 -0.01 0.00 0.00 56.01 56.50 1x52 n LEU 13 Cb 0.00 -1.86 -0.09 0.00 -0.11 0.00 0.00 43.42 41.35 1x52 n LEU 13 CO 0.00 -1.81 -0.09 -0.55 -1.51 0.00 0.00 177.39 173.43 1x52 s SER 14 N -1.03 -0.05 0.43 -1.43 0.15 -1.26 -5.07 113.70 105.44 1x52 s SER 14 Ca -0.00 -0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.50 1x52 s SER 14 Cb 0.00 0.26 0.00 0.00 -1.71 0.00 0.00 66.02 64.57 1x52 s SER 14 CO 0.13 -0.43 0.00 0.47 1.20 0.00 0.00 173.24 174.61 1x52 n ASP 15 N 1.24 -5.78 0.08 5.45 8.00 -1.26 -1.73 116.55 122.55 1x52 n ASP 15 Ca -0.22 1.20 -0.11 0.00 0.71 0.00 0.00 54.79 56.37 1x52 n ASP 15 Cb 0.56 -4.04 -0.04 0.00 -0.02 0.00 0.00 41.12 37.58 1x52 n ASP 15 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1x52 h THR 16 N -0.53 1.48 0.14 -3.53 2.02 -2.01 -2.78 112.91 107.69 1x52 h THR 16 Ca -0.06 -2.66 -0.01 0.00 0.77 0.00 0.00 66.41 64.45 1x52 h THR 16 Cb 0.82 2.53 0.00 0.00 -1.74 0.00 0.00 68.15 69.76 1x52 h THR 16 CO 0.02 0.78 -0.07 0.50 0.37 0.00 0.00 175.52 177.13 1x52 h LYS 17 N 0.14 -0.18 -0.04 6.66 3.64 -2.03 -3.38 116.57 121.38 1x52 h LYS 17 Ca -0.07 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 1x52 h LYS 17 Cb 1.60 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 33.46 1x52 h LYS 17 CO 0.15 0.27 -0.01 0.00 -2.27 0.00 0.00 179.45 177.59 1x52 h ALA 18 N -0.01 0.05 -0.86 5.00 0.00 -1.73 -3.07 119.26 118.64 1x52 h ALA 18 Ca -0.02 -0.20 0.15 0.00 0.00 0.00 0.00 54.91 54.84 1x52 h ALA 18 Cb 0.52 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.23 1x52 h ALA 18 CO 0.03 -0.24 0.56 0.00 0.00 0.00 0.00 179.25 179.60 1x52 h ALA 19 N 0.64 1.91 -0.30 0.00 0.00 -1.04 0.14 119.26 120.63 1x52 h ALA 19 Ca 0.01 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 1x52 h ALA 19 Cb 0.40 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1x52 h ALA 19 CO 0.00 -0.15 -0.28 0.78 0.00 0.00 0.00 179.25 179.60 1x52 h GLY 20 N 0.61 0.78 0.87 0.00 0.00 -1.71 0.21 103.07 103.83 1x52 h GLY 20 Ca 0.43 -0.79 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 1x52 h GLY 20 CO -0.19 0.71 -0.14 0.83 0.00 0.00 0.00 176.54 177.76 1x52 h GLU 21 N 0.46 -0.37 -0.42 4.80 3.07 -1.31 -3.04 114.58 117.76 1x52 h GLU 21 Ca 0.05 0.03 0.04 0.00 -0.50 0.00 0.00 59.36 58.98 1x52 h GLU 21 Cb 0.85 0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.82 1x52 h GLU 21 CO 0.07 -0.16 0.28 0.28 -1.40 0.00 0.00 179.01 178.08 1x52 h VAL 22 N -0.52 1.00 -0.23 3.13 2.07 -0.69 -0.14 116.25 120.87 1x52 h VAL 22 Ca -0.04 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 1x52 h VAL 22 Cb 0.39 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1x52 h VAL 22 CO 0.07 0.07 0.10 0.50 0.02 0.00 0.00 177.57 178.33 1x52 h LYS 23 N 0.41 0.34 -0.75 1.57 3.11 -0.91 0.16 116.57 120.50 1x52 h LYS 23 Ca 0.18 -0.06 -0.00 0.00 -2.81 0.00 0.00 60.65 57.96 1x52 h LYS 23 Cb 0.20 -0.06 -0.04 0.00 -1.00 0.00 0.00 32.23 31.34 1x52 h LYS 23 CO -0.04 0.38 0.46 0.00 -2.81 0.00 0.00 179.45 177.43 1x52 h ALA 24 N 0.95 1.39 -0.10 5.00 0.00 -1.12 0.17 119.26 125.56 1x52 h ALA 24 Ca 0.08 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1x52 h ALA 24 Cb 0.16 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1x52 h ALA 24 CO -0.01 0.53 0.06 1.25 0.00 0.00 0.00 179.25 181.08 1x52 h LEU 25 N 1.03 0.12 0.19 0.00 5.85 -0.59 -0.61 115.31 121.30 1x52 h LEU 25 Ca 0.27 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.94 1x52 h LEU 25 Cb -0.05 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 1x52 h LEU 25 CO -0.05 0.14 -0.20 -0.78 -0.34 0.00 0.00 178.44 177.21 1x52 h ASP 26 N 0.08 -0.53 -0.41 1.25 1.82 -0.19 0.71 116.42 119.15 1x52 h ASP 26 Ca 0.03 0.05 -0.12 0.00 -0.39 0.00 0.00 57.03 56.60 1x52 h ASP 26 Cb 0.04 0.19 -0.01 0.00 0.68 0.00 0.00 39.33 40.23 1x52 h ASP 26 CO -0.01 -0.30 -0.21 0.44 -1.61 0.00 0.00 179.24 177.56 1x52 h ASP 27 N -0.43 0.93 0.20 2.28 3.32 -0.98 0.45 116.42 122.19 1x52 h ASP 27 Ca 0.00 -0.34 0.00 0.00 0.02 0.00 0.00 57.03 56.71 1x52 h ASP 27 Cb 0.40 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1x52 h ASP 27 CO -0.05 1.10 -0.17 0.15 -1.72 0.00 0.00 179.24 178.55 1x52 h PHE 28 N 0.79 -0.45 -0.53 4.55 3.57 -0.92 -0.20 116.94 123.76 1x52 h PHE 28 Ca 0.11 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.58 1x52 h PHE 28 Cb 0.76 0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.64 1x52 h PHE 28 CO 0.05 -0.26 0.20 1.88 -2.23 0.00 0.00 178.31 177.94 1x52 h TYR 29 N -0.39 0.78 0.07 0.41 0.05 -0.46 0.24 116.97 117.66 1x52 h TYR 29 Ca -0.01 -0.04 0.03 0.00 0.05 0.00 0.00 58.73 58.76 1x52 h TYR 29 Cb 0.36 -0.24 -0.04 0.00 1.01 0.00 0.00 36.73 37.81 1x52 h TYR 29 CO -0.13 0.61 -0.31 -0.22 -1.05 0.00 0.00 178.16 177.07 1x52 h LYS 30 N 0.76 -0.48 -0.92 4.88 3.64 -0.74 -0.92 116.57 122.79 1x52 h LYS 30 Ca 0.18 0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.66 1x52 h LYS 30 Cb 0.17 0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 32.04 1x52 h LYS 30 CO -0.01 -0.32 0.60 1.98 -2.27 0.00 0.00 179.45 179.42 1x52 h MET 31 N -0.50 1.03 0.00 1.90 4.05 -0.04 -0.16 114.93 121.20 1x52 h MET 31 Ca 0.04 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 1x52 h MET 31 Cb 0.55 -0.23 0.00 0.00 -0.80 0.00 0.00 31.60 31.12 1x52 h MET 31 CO -0.22 0.68 0.00 1.25 0.23 0.00 0.00 176.91 178.85 1x52 h LEU 32 N 1.06 0.00 0.03 3.39 5.85 0.08 0.63 115.31 126.36 1x52 h LEU 32 Ca 0.39 0.00 -0.35 0.00 0.84 0.00 0.00 57.88 58.76 1x52 h LEU 32 Cb 0.18 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.16 1x52 h LEU 32 CO -0.15 0.00 -2.14 0.00 -0.34 0.00 0.00 178.44 175.82 1x52 n GLN 33 N -3.02 0.68 0.00 1.25 1.13 -0.41 -4.61 117.38 112.40 1x52 n GLN 33 Ca -0.01 0.18 0.00 0.00 -1.94 0.00 0.00 57.00 55.23 1x52 n GLN 33 Cb 0.18 -1.64 0.00 0.00 0.11 0.00 0.00 30.24 28.89 1x52 n GLN 33 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1x52 n HIS 34 N -3.13 0.00 -3.48 1.08 8.25 -0.21 -4.89 115.22 112.85 1x52 n HIS 34 Ca -0.32 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 56.88 1x52 n HIS 34 Cb 1.06 -0.23 -0.10 0.00 1.12 0.00 0.00 29.99 31.84 1x52 n HIS 34 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 1x52 n GLU 35 N -2.18 0.93 0.00 -0.41 0.28 0.18 -4.98 120.64 114.47 1x52 n GLU 35 Ca 0.00 -3.66 0.02 0.00 -0.16 0.00 0.00 57.16 53.36 1x52 n GLU 35 Cb 0.00 -1.79 0.10 0.00 1.43 0.00 0.00 31.44 31.18 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 2.14 0.02 0.27 3.44 -0.04 -1.06 -0.95 135.00 138.81 1x52 n PRO 36 Ca 0.26 0.38 0.18 0.00 -0.04 0.00 0.00 63.50 64.28 1x52 n PRO 36 Cb 0.45 -1.50 0.94 0.00 -0.04 0.00 0.00 33.50 33.35 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 -0.45 3.54 3.32 -1.93 -1.43 116.42 119.47 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 0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 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 -3.43 2.61 -3.79 3.56 1.74 -0.13 -2.39 116.66 114.83 1x52 n ARG 38 Ca -0.01 -2.21 -0.30 0.00 -0.77 0.00 0.00 57.85 54.56 1x52 n ARG 38 Cb 0.26 -1.39 -0.15 0.00 -1.02 0.00 0.00 32.46 30.16 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 -1.05 1.94 -0.09 7.54 0.00 -0.54 -1.16 121.76 128.41 1x52 s ALA 39 Ca 0.33 -2.03 -0.05 0.00 0.00 0.00 0.00 51.96 50.21 1x52 s ALA 39 Cb 0.17 -1.75 -0.04 0.00 0.00 0.00 0.00 23.12 21.51 1x52 s ALA 39 CO 0.23 -1.74 0.14 -0.06 0.00 0.00 0.00 175.76 174.33 1x52 s PHE 40 N 1.24 3.56 0.07 0.00 0.40 -1.05 -4.86 117.98 117.32 1x52 s PHE 40 Ca 0.11 0.46 -0.01 0.00 -0.60 0.00 0.00 56.93 56.89 1x52 s PHE 40 Cb -0.19 -1.90 -0.04 0.00 0.51 0.00 0.00 43.02 41.40 1x52 s PHE 40 CO -0.17 0.70 -0.01 1.52 0.70 0.00 0.00 175.22 177.96 1x52 s TYR 41 N -1.10 0.58 0.25 0.36 1.13 -1.26 -1.65 117.35 115.65 1x52 s TYR 41 Ca 0.18 -1.09 0.00 0.00 -1.41 0.00 0.00 57.07 54.75 1x52 s TYR 41 Cb -0.12 -0.40 0.00 0.00 -1.10 0.00 0.00 41.96 40.34 1x52 s TYR 41 CO 0.08 -0.41 0.00 0.41 -2.51 0.00 0.00 175.55 173.12 1x52 n GLY 42 N 0.07 -3.40 0.28 5.49 0.00 -0.03 -4.09 105.19 103.50 1x52 n GLY 42 Ca -0.12 -1.08 0.07 0.00 0.00 0.00 0.00 46.02 44.88 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 0.19 0.14 0.43 0.99 5.85 -1.91 -2.48 115.31 118.53 1x52 h LEU 43 Ca 0.00 0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 1x52 h LEU 43 Cb 0.34 0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.52 1x52 h LEU 43 CO 0.00 0.01 -0.21 0.50 -0.34 0.00 0.00 178.44 178.40 1x52 h LYS 44 N 0.34 -0.56 0.09 1.25 3.64 -1.98 0.50 116.57 119.84 1x52 h LYS 44 Ca 0.44 0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.85 1x52 h LYS 44 Cb 0.74 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.69 1x52 h LYS 44 CO -0.48 -0.35 -0.04 1.96 -2.27 0.00 0.00 179.45 178.27 1x52 h GLN 45 N -0.64 -0.12 -0.99 1.90 4.20 -1.61 -2.63 115.11 115.23 1x52 h GLN 45 Ca -0.06 0.01 0.20 0.00 0.06 0.00 0.00 58.65 58.85 1x52 h GLN 45 Cb 0.48 0.03 -0.10 0.00 0.30 0.00 0.00 27.48 28.18 1x52 h GLN 45 CO 0.10 0.00 0.61 0.28 -0.67 0.00 0.00 178.83 179.16 1x52 h VAL 46 N -0.21 0.70 0.00 -0.54 2.07 -1.34 0.11 116.25 117.03 1x52 h VAL 46 Ca -0.01 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 1x52 h VAL 46 Cb 0.17 -0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 29.89 1x52 h VAL 46 CO 0.02 0.13 -0.10 -0.33 0.02 0.00 0.00 177.57 177.31 1x52 h GLU 47 N 0.69 0.00 0.09 1.57 5.08 -0.53 0.39 114.58 121.86 1x52 h GLU 47 Ca 0.56 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.72 1x52 h GLU 47 Cb 0.97 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.24 1x52 h GLU 47 CO -0.34 0.10 -0.85 -0.22 -1.00 0.00 0.00 179.01 176.70 1x52 h LYS 48 N 0.00 0.42 -0.88 2.33 1.63 -0.64 -3.32 116.57 116.11 1x52 h LYS 48 Ca -0.00 -0.57 -0.02 0.00 -0.85 0.00 0.00 60.65 59.21 1x52 h LYS 48 Cb 0.48 0.19 -0.04 0.00 -0.60 0.00 0.00 32.23 32.25 1x52 h LYS 48 CO 0.01 1.23 0.48 0.00 -3.45 0.00 0.00 179.45 177.72 1x52 h ALA 49 N 0.22 1.13 -0.25 5.00 0.00 -0.23 -2.25 119.26 122.88 1x52 h ALA 49 Ca -0.13 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 1x52 h ALA 49 Cb 1.59 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1x52 h ALA 49 CO 0.16 0.65 -0.11 -0.97 0.00 0.00 0.00 179.25 178.98 1x52 h ASN 50 N 1.24 0.38 -0.24 0.00 -0.73 -1.11 -2.09 115.58 113.03 1x52 h ASN 50 Ca 0.31 -0.09 -0.06 0.00 1.87 0.00 0.00 56.30 58.33 1x52 h ASN 50 Cb 0.04 -0.10 -0.02 0.00 0.27 0.00 0.00 38.32 38.51 1x52 h ASN 50 CO -0.05 0.53 -0.03 -0.33 -0.37 0.00 0.00 177.43 177.18 1x52 h GLU 51 N 0.38 0.58 0.00 6.67 5.08 -1.51 -0.63 114.58 125.14 1x52 h GLU 51 Ca 0.07 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1x52 h GLU 51 Cb 0.42 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1x52 h GLU 51 CO 0.02 0.62 0.00 0.00 -1.00 0.00 0.00 179.01 178.66 1x52 n ALA 52 N -2.48 2.61 -0.69 3.43 0.00 -0.89 -4.91 120.51 117.58 1x52 n ALA 52 Ca 0.01 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1x52 n ALA 52 Cb 0.28 -1.49 0.00 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 -1.01 -0.55 0.00 0.00 2.81 -0.24 -4.83 117.12 113.29 1x52 n MET 53 Ca 0.22 0.14 0.15 0.00 -1.81 0.00 0.00 57.70 56.40 1x52 n MET 53 Cb 0.11 -4.44 0.80 0.00 -0.71 0.00 0.00 33.22 28.98 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 1.00 2.64 -1.82 3.04 0.00 -1.14 -4.77 120.51 119.46 1x52 n ALA 54 Ca 0.00 -0.22 -0.43 0.00 0.00 0.00 0.00 53.44 52.79 1x52 n ALA 54 Cb 0.14 -1.45 -0.03 0.00 0.00 0.00 0.00 19.45 18.11 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 -2.25 3.27 -0.07 0.00 1.01 -1.26 -0.33 121.20 121.58 1x52 s ILE 55 Ca 0.38 0.28 -0.26 0.00 0.00 0.00 0.00 60.65 61.04 1x52 s ILE 55 Cb 0.21 -3.35 -0.23 0.00 0.01 0.00 0.00 42.46 39.10 1x52 s ILE 55 CO 0.41 -0.22 1.05 -0.78 0.00 0.00 0.00 174.94 175.40 1x52 h ASP 56 N 13.70 0.06 -3.67 3.58 3.58 -1.40 -3.36 116.42 128.92 1x52 h ASP 56 Ca -0.37 -0.73 -0.20 0.00 0.42 0.00 0.00 57.03 56.15 1x52 h ASP 56 Cb 1.20 -0.02 -0.28 0.00 1.72 0.00 0.00 39.33 41.95 1x52 h ASP 56 CO 1.00 0.78 -0.54 -0.89 -2.88 0.00 0.00 179.24 176.70 1x52 s THR 57 N -3.31 -0.02 -0.04 2.25 2.01 -1.18 -0.20 115.64 115.15 1x52 s THR 57 Ca -0.17 0.06 0.01 0.00 0.31 0.00 0.00 61.69 61.90 1x52 s THR 57 Cb -0.00 -0.25 -0.03 0.00 0.01 0.00 0.00 72.50 72.23 1x52 s THR 57 CO 0.70 0.02 -0.04 -0.22 -0.69 0.00 0.00 174.62 174.39 1x52 s LEU 58 N 0.45 3.31 -0.14 4.42 2.96 -0.61 -0.74 118.68 128.33 1x52 s LEU 58 Ca -0.03 -0.02 0.03 0.00 -0.22 0.00 0.00 54.13 53.88 1x52 s LEU 58 Cb -0.04 -1.81 0.01 0.00 0.50 0.00 0.00 46.19 44.84 1x52 s LEU 58 CO -0.02 0.33 -0.22 -0.76 -1.32 0.00 0.00 176.35 174.36 1x52 s LEU 59 N -1.14 2.09 -0.01 -0.68 1.43 0.29 -1.00 118.68 119.67 1x52 s LEU 59 Ca 0.15 -0.59 -0.02 0.00 -1.03 0.00 0.00 54.13 52.64 1x52 s LEU 59 Cb -0.11 -1.43 -0.00 0.00 0.03 0.00 0.00 46.19 44.68 1x52 s LEU 59 CO 0.05 0.08 0.04 -0.51 0.23 0.00 0.00 176.35 176.24 1x52 s ILE 60 N 0.80 0.03 0.26 -0.59 2.07 -0.70 -0.95 121.20 122.13 1x52 s ILE 60 Ca -0.08 -0.28 -0.29 0.00 -1.41 0.00 0.00 60.65 58.59 1x52 s ILE 60 Cb -0.16 -0.15 -0.10 0.00 0.13 0.00 0.00 42.46 42.19 1x52 s ILE 60 CO -0.01 -0.15 1.29 -0.55 -1.91 0.00 0.00 174.94 173.60 1x52 s SER 61 N -0.45 6.88 0.35 4.50 0.15 -0.24 -0.53 113.70 124.35 1x52 s SER 61 Ca -0.05 2.51 0.06 0.00 0.70 0.00 0.00 55.95 59.17 1x52 s SER 61 Cb -0.03 -2.63 0.72 0.00 -1.71 0.00 0.00 66.02 62.37 1x52 s SER 61 CO -0.00 -0.49 1.92 -2.24 1.20 0.00 0.00 173.24 173.63 1x52 h ASP 62 N 4.40 0.71 0.00 5.45 2.03 -1.01 -1.33 116.42 126.67 1x52 h ASP 62 Ca -0.47 0.01 0.00 0.00 -0.73 0.00 0.00 57.03 55.85 1x52 h ASP 62 Cb 1.22 -0.13 0.00 0.00 -0.83 0.00 0.00 39.33 39.58 1x52 h ASP 62 CO 0.71 0.43 0.02 1.05 -1.03 0.00 0.00 179.24 180.43 1x52 h GLU 63 N 0.79 0.00 0.08 4.15 4.11 -1.91 0.15 114.58 121.95 1x52 h GLU 63 Ca 0.37 0.00 -0.34 0.00 0.07 0.00 0.00 59.36 59.46 1x52 h GLU 63 Cb 0.39 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 1x52 h GLU 63 CO -0.14 0.00 -1.87 1.28 0.07 0.00 0.00 179.01 178.34 1x52 n LEU 64 N -2.86 2.43 0.03 3.06 4.77 -0.56 -2.79 117.00 121.08 1x52 n LEU 64 Ca -0.03 0.24 0.22 0.00 -0.03 0.00 0.00 56.01 56.42 1x52 n LEU 64 Cb 0.08 -1.05 0.72 0.00 -2.33 0.00 0.00 43.42 40.85 1x52 n LEU 64 CO 0.17 0.70 1.20 0.15 -1.33 0.00 0.00 177.39 178.27 1x52 h PHE 65 N -0.27 0.00 -0.48 -1.77 3.57 -0.49 -1.37 116.94 116.12 1x52 h PHE 65 Ca -0.43 0.00 -0.35 0.00 3.53 0.00 0.00 57.97 60.72 1x52 h PHE 65 Cb 1.81 0.00 -0.34 0.00 2.79 0.00 0.00 35.95 40.21 1x52 h PHE 65 CO 0.07 0.00 -0.85 2.89 -2.23 0.00 0.00 178.31 178.19 1x52 n ARG 66 N -3.80 2.52 -1.66 1.11 1.85 0.36 -4.71 116.66 112.32 1x52 n ARG 66 Ca 0.10 -3.68 -0.39 0.00 -1.00 0.00 0.00 57.85 52.87 1x52 n ARG 66 Cb 0.72 -1.82 0.03 0.00 -1.05 0.00 0.00 32.46 30.34 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 -0.66 1.56 -0.26 2.89 -0.00 -0.52 -4.92 115.22 113.31 1x52 n HIS 67 Ca 0.28 0.48 -0.07 0.00 0.46 0.00 0.00 57.72 58.87 1x52 n HIS 67 Cb 0.90 -2.27 0.05 0.00 -0.12 0.00 0.00 29.99 28.55 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 1.33 1.12 -6.15 1.57 -0.00 -1.91 -3.42 115.11 107.65 1x52 h GLN 68 Ca -0.48 -0.23 -0.57 0.00 -0.00 0.00 0.00 58.65 57.37 1x52 h GLN 68 Cb 1.33 -0.17 -0.04 0.00 -0.00 0.00 0.00 27.48 28.60 1x52 h GLN 68 CO 0.56 0.95 0.86 0.34 -0.00 0.00 0.00 178.83 181.53 1x52 s ASP 69 N -6.35 6.99 0.22 0.06 2.15 -1.26 -4.93 116.67 113.55 1x52 s ASP 69 Ca -0.12 1.64 -0.08 0.00 0.43 0.00 0.00 52.55 54.41 1x52 s ASP 69 Cb 0.15 -2.54 0.29 0.00 -0.30 0.00 0.00 42.92 40.51 1x52 s ASP 69 CO 0.84 -0.72 1.79 0.58 -0.17 0.00 0.00 175.17 177.49 1x52 h VAL 70 N 5.43 0.90 0.27 1.11 2.07 -1.99 0.76 116.25 124.80 1x52 h VAL 70 Ca -0.26 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 1x52 h VAL 70 Cb 1.10 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1x52 h VAL 70 CO 0.96 0.12 -0.13 0.00 0.02 0.00 0.00 177.57 178.54 1x52 h ALA 71 N 1.39 -0.36 -0.24 1.67 0.00 -1.95 0.21 119.26 119.98 1x52 h ALA 71 Ca 0.32 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.13 1x52 h ALA 71 Cb 0.28 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.14 1x52 h ALA 71 CO -0.23 -0.57 -0.25 1.15 0.00 0.00 0.00 179.25 179.36 1x52 h THR 72 N -0.62 0.38 -0.33 0.00 2.02 -1.93 -1.45 112.91 110.98 1x52 h THR 72 Ca -0.04 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.19 1x52 h THR 72 Cb 0.44 0.38 -0.05 0.00 -1.74 0.00 0.00 68.15 67.19 1x52 h THR 72 CO 0.06 0.00 0.05 -0.09 0.37 0.00 0.00 175.52 175.91 1x52 h ARG 73 N -0.26 0.15 -0.99 6.66 2.43 -0.72 -1.51 114.38 120.14 1x52 h ARG 73 Ca 0.13 -0.01 0.18 0.00 -0.81 0.00 0.00 59.98 59.47 1x52 h ARG 73 Cb 0.47 -0.03 -0.10 0.00 -0.42 0.00 0.00 29.97 29.89 1x52 h ARG 73 CO -0.39 0.10 0.61 1.03 -1.51 0.00 0.00 179.97 179.82 1x52 h SER 74 N 0.15 0.76 0.59 -3.80 0.87 0.15 0.38 113.55 112.65 1x52 h SER 74 Ca 0.16 0.08 -0.03 0.00 -1.23 0.00 0.00 61.79 60.77 1x52 h SER 74 Cb 0.18 -0.06 0.01 0.00 -0.44 0.00 0.00 62.40 62.09 1x52 h SER 74 CO -0.22 0.30 -0.28 0.03 -0.53 0.00 0.00 176.83 176.13 1x52 h ARG 75 N 0.76 -0.76 -0.22 2.24 3.08 -0.27 -0.02 114.38 119.19 1x52 h ARG 75 Ca 0.55 0.05 0.05 0.00 0.07 0.00 0.00 59.98 60.70 1x52 h ARG 75 Cb 0.86 0.17 -0.05 0.00 0.08 0.00 0.00 29.97 31.04 1x52 h ARG 75 CO -0.33 -0.46 -0.07 1.88 -1.07 0.00 0.00 179.97 179.92 1x52 h TYR 76 N -0.91 -0.16 -0.66 3.04 0.05 -0.81 0.17 116.97 117.69 1x52 h TYR 76 Ca -0.08 0.02 -0.07 0.00 0.05 0.00 0.00 58.73 58.66 1x52 h TYR 76 Cb 0.65 0.10 -0.03 0.00 1.01 0.00 0.00 36.73 38.46 1x52 h TYR 76 CO -0.01 -0.12 0.16 -0.39 -1.05 0.00 0.00 178.16 176.75 1x52 h VAL 77 N -0.02 1.26 0.25 -2.88 -1.51 -0.96 -0.24 116.25 112.15 1x52 h VAL 77 Ca 0.11 -0.95 -0.01 0.00 -1.23 0.00 0.00 66.70 64.62 1x52 h VAL 77 Cb 0.19 0.61 0.00 0.00 -2.13 0.00 0.00 31.29 29.97 1x52 h VAL 77 CO -0.24 0.36 -0.12 0.03 -1.23 0.00 0.00 177.57 176.37 1x52 h ARG 78 N 0.98 -0.32 -0.80 5.19 3.08 -0.62 -0.84 114.38 121.05 1x52 h ARG 78 Ca 0.21 0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.36 1x52 h ARG 78 Cb 0.37 0.07 -0.07 0.00 0.08 0.00 0.00 29.97 30.42 1x52 h ARG 78 CO 0.00 -0.13 0.46 1.25 -1.07 0.00 0.00 179.97 180.48 1x52 h LEU 79 N -0.45 0.67 0.02 3.04 5.85 -0.55 0.43 115.31 124.32 1x52 h LEU 79 Ca -0.03 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.74 1x52 h LEU 79 Cb 0.34 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 1x52 h LEU 79 CO 0.06 0.40 -0.08 0.58 -0.34 0.00 0.00 178.44 179.06 1x52 h VAL 80 N 0.80 0.79 -0.17 1.05 2.07 -0.81 -0.83 116.25 119.15 1x52 h VAL 80 Ca 0.37 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.80 1x52 h VAL 80 Cb 0.30 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1x52 h VAL 80 CO -0.22 0.00 -0.30 -0.78 0.02 0.00 0.00 177.57 176.29 1x52 h ASP 81 N -0.15 0.33 0.56 0.57 3.58 -0.43 -2.76 116.42 118.11 1x52 h ASP 81 Ca 0.03 -0.11 -0.12 0.00 0.42 0.00 0.00 57.03 57.24 1x52 h ASP 81 Cb 0.18 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.13 1x52 h ASP 81 CO -0.07 0.62 -0.57 0.28 -2.88 0.00 0.00 179.24 176.61 1x52 h SER 82 N 0.29 0.01 -0.23 2.28 0.02 0.09 -0.81 113.55 115.19 1x52 h SER 82 Ca 0.04 -0.01 -0.14 0.00 -0.84 0.00 0.00 61.79 60.84 1x52 h SER 82 Cb 0.68 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.20 1x52 h SER 82 CO 0.05 0.58 -0.36 0.58 -1.14 0.00 0.00 176.83 176.55 1x52 h VAL 83 N 0.01 1.28 -0.36 2.27 2.07 -0.91 0.06 116.25 120.67 1x52 h VAL 83 Ca -0.01 -1.52 -0.01 0.00 0.82 0.00 0.00 66.70 65.99 1x52 h VAL 83 Cb 1.02 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 32.18 1x52 h VAL 83 CO 0.08 0.50 0.19 0.11 0.02 0.00 0.00 177.57 178.46 1x52 h LYS 84 N 0.63 0.50 -0.67 1.57 1.57 -1.12 0.13 116.57 119.18 1x52 h LYS 84 Ca 0.06 -0.06 0.04 0.00 -1.87 0.00 0.00 60.65 58.82 1x52 h LYS 84 Cb 0.90 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 33.06 1x52 h LYS 84 CO 0.08 0.42 0.40 0.93 -0.57 0.00 0.00 179.45 180.72 1x52 h GLU 85 N 0.45 0.75 -0.05 3.15 4.39 -1.10 -0.49 114.58 121.69 1x52 h GLU 85 Ca 0.13 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.78 1x52 h GLU 85 Cb 0.07 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.55 1x52 h GLU 85 CO -0.02 0.50 0.00 0.09 -1.16 0.00 0.00 179.01 178.42 1x52 n ASN 86 N -4.72 0.05 -1.15 1.42 4.13 -0.00 -4.88 115.26 110.10 1x52 n ASN 86 Ca 0.07 -1.75 -0.15 0.00 1.68 0.00 0.00 54.58 54.43 1x52 n ASN 86 Cb 0.11 -0.02 -0.06 0.00 -1.54 0.00 0.00 39.78 38.26 1x52 n ASN 86 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1x52 n ALA 87 N -0.47 -0.23 -1.90 5.41 0.00 -0.19 -4.97 120.51 118.16 1x52 n ALA 87 Ca 0.00 0.24 -0.29 0.00 0.00 0.00 0.00 53.44 53.39 1x52 n ALA 87 Cb 0.01 -1.68 0.08 0.00 0.00 0.00 0.00 19.45 17.86 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 -2.76 1.60 0.54 0.00 0.00 0.36 -4.98 107.32 102.09 1x52 s GLY 88 Ca 0.00 -0.57 -0.09 0.00 0.00 0.00 0.00 44.72 44.06 1x52 s GLY 88 CO 0.00 -0.12 0.91 -1.59 0.00 0.00 0.00 173.10 172.30 1x52 s THR 89 N -3.50 4.79 0.07 0.90 2.01 0.72 -4.25 115.64 116.38 1x52 s THR 89 Ca 0.61 0.59 0.08 0.00 0.31 0.00 0.00 61.69 63.28 1x52 s THR 89 Cb -0.11 -3.85 -0.03 0.00 0.01 0.00 0.00 72.50 68.52 1x52 s THR 89 CO 0.50 -0.97 -0.21 -0.69 -0.69 0.00 0.00 174.62 172.56 1x52 s VAL 90 N -2.92 1.71 -0.09 3.82 1.01 -1.26 -1.57 120.40 121.09 1x52 s VAL 90 Ca 0.52 -1.33 -0.03 0.00 0.00 0.00 0.00 61.98 61.13 1x52 s VAL 90 Cb -0.11 -1.51 0.05 0.00 0.00 0.00 0.00 36.38 34.82 1x52 s VAL 90 CO 0.48 0.12 0.17 -0.13 0.00 0.00 0.00 175.10 175.74 1x52 s ARG 91 N -1.45 0.05 -0.33 2.72 1.81 -0.17 -4.88 118.95 116.71 1x52 s ARG 91 Ca 0.07 0.56 -0.05 0.00 -1.72 0.00 0.00 55.73 54.59 1x52 s ARG 91 Cb -0.09 -0.23 0.04 0.00 -0.45 0.00 0.00 34.95 34.21 1x52 s ARG 91 CO 0.03 -0.29 0.08 0.42 -0.68 0.00 0.00 175.30 174.86 1x52 s ILE 92 N 2.17 3.62 0.28 1.52 -1.09 -1.26 -1.71 121.20 124.72 1x52 s ILE 92 Ca 0.01 -1.17 -0.09 0.00 -2.23 0.00 0.00 60.65 57.17 1x52 s ILE 92 Cb -0.12 -3.05 -0.07 0.00 -1.58 0.00 0.00 42.46 37.64 1x52 s ILE 92 CO -0.06 -0.16 0.59 -0.36 -1.23 0.00 0.00 174.94 173.72 1x52 s PHE 93 N 1.37 3.44 -0.17 3.97 0.40 0.31 -4.89 117.98 122.42 1x52 s PHE 93 Ca -0.02 0.85 -0.07 0.00 -0.60 0.00 0.00 56.93 57.09 1x52 s PHE 93 Cb -0.19 -2.26 -0.04 0.00 0.51 0.00 0.00 43.02 41.04 1x52 s PHE 93 CO 0.02 0.18 0.07 -1.12 0.70 0.00 0.00 175.22 175.07 1x52 s SER 94 N -2.68 5.76 0.00 1.36 0.01 -1.26 -0.31 113.70 116.58 1x52 s SER 94 Ca 0.47 0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.89 1x52 s SER 94 Cb -0.11 -1.94 0.00 0.00 0.21 0.00 0.00 66.02 64.18 1x52 s SER 94 CO 0.25 0.23 0.26 -1.54 0.41 0.00 0.00 173.24 172.85 1x52 n SER 95 N 3.19 0.01 0.00 2.44 3.41 -1.26 -3.20 113.62 118.21 1x52 n SER 95 Ca -0.17 -0.54 0.00 0.00 -0.26 0.00 0.00 58.87 57.90 1x52 n SER 95 Cb 0.53 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 1x52 n SER 95 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1x52 n LEU 96 N -0.46 1.06 -4.10 1.04 4.77 -1.26 -4.91 117.00 113.13 1x52 n LEU 96 Ca 0.00 -1.06 -0.08 0.00 -0.03 0.00 0.00 56.01 54.85 1x52 n LEU 96 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 1x52 n LEU 96 CO 0.00 0.26 -0.36 -2.28 -1.33 0.00 0.00 177.39 173.69 1x52 s HIS 97 N -0.07 0.58 0.60 -1.77 5.04 -1.19 -5.06 115.29 113.42 1x52 s HIS 97 Ca 0.00 -1.07 0.31 0.00 -1.54 0.00 0.00 55.06 52.76 1x52 s HIS 97 Cb 0.00 -0.41 1.86 0.00 0.04 0.00 0.00 32.58 34.07 1x52 s HIS 97 CO 0.00 -0.37 2.24 -0.24 -2.34 0.00 0.00 174.74 174.03 1x52 h VAL 98 N 3.11 0.45 -0.09 0.89 3.04 -1.96 -1.80 116.25 119.89 1x52 h VAL 98 Ca -0.34 0.00 -0.10 0.00 -1.01 0.00 0.00 66.70 65.25 1x52 h VAL 98 Cb 1.15 0.97 -0.01 0.00 -2.01 0.00 0.00 31.29 31.38 1x52 h VAL 98 CO 0.65 0.00 -0.39 0.77 -1.01 0.00 0.00 177.57 177.60 1x52 h SER 99 N 0.00 0.21 -0.28 3.17 4.64 -1.97 0.86 113.55 120.17 1x52 h SER 99 Ca 0.01 -0.08 -0.17 0.00 -0.47 0.00 0.00 61.79 61.09 1x52 h SER 99 Cb 0.10 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1x52 h SER 99 CO -0.00 0.58 -0.45 1.23 -0.87 0.00 0.00 176.83 177.32 1x52 h GLY 100 N 1.19 0.92 2.00 -0.77 0.00 -1.39 -1.06 103.07 103.97 1x52 h GLY 100 Ca 0.02 -0.99 -0.06 0.00 0.00 0.00 0.00 47.33 46.29 1x52 h GLY 100 CO 0.06 0.89 -0.29 0.83 0.00 0.00 0.00 176.54 178.04 1x52 h GLU 101 N 0.68 0.00 0.06 4.80 5.08 -1.29 0.24 114.58 124.14 1x52 h GLU 101 Ca 0.04 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1x52 h GLU 101 Cb 1.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.29 1x52 h GLU 101 CO 0.10 0.29 -0.03 1.96 -1.00 0.00 0.00 179.01 180.33 1x52 h GLN 102 N 0.00 -0.07 0.00 2.33 4.20 -0.78 -3.21 115.11 117.58 1x52 h GLN 102 Ca -0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1x52 h GLN 102 Cb 0.54 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.34 1x52 h GLN 102 CO 0.04 0.44 -0.00 1.25 -0.67 0.00 0.00 178.83 179.88 1x52 h LEU 103 N -0.63 0.00 -1.39 1.46 5.85 -0.49 -1.88 115.31 118.23 1x52 h LEU 103 Ca -0.01 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.75 1x52 h LEU 103 Cb 0.54 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.53 1x52 h LEU 103 CO 0.01 0.00 0.44 0.28 -0.34 0.00 0.00 178.44 178.83 1x52 h SER 104 N 0.00 0.68 0.03 1.25 0.02 -0.55 0.32 113.55 115.30 1x52 h SER 104 Ca -0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1x52 h SER 104 Cb 0.00 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.38 1x52 h SER 104 CO 0.00 0.47 0.00 0.00 -1.14 0.00 0.00 176.83 176.16 1x52 n GLN 105 N -4.46 0.38 -1.11 3.45 6.02 -0.71 -1.76 117.38 119.19 1x52 n GLN 105 Ca 0.08 0.02 0.04 0.00 -0.01 0.00 0.00 57.00 57.13 1x52 n GLN 105 Cb 0.13 -1.50 0.06 0.00 1.02 0.00 0.00 30.24 29.95 1x52 n GLN 105 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1x52 n LEU 106 N -1.03 1.30 0.00 1.08 4.77 0.44 -4.99 117.00 118.56 1x52 n LEU 106 Ca 0.09 -2.33 0.00 0.00 -0.03 0.00 0.00 56.01 53.74 1x52 n LEU 106 Cb 0.05 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 1x52 n LEU 106 CO 0.08 0.67 0.00 0.35 -1.33 0.00 0.00 177.39 177.16 1x52 n THR 107 N -0.00 0.00 -0.90 -5.08 -2.24 -0.72 -3.31 114.28 102.02 1x52 n THR 107 Ca 0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 1x52 n THR 107 Cb 0.97 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.92 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 -1.80 0.47 3.05 3.38 0.00 0.85 -4.89 105.19 106.25 1x52 n GLY 108 Ca 0.00 -0.70 -0.13 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.02 0.36 1.61 0.11 -1.21 -1.08 120.40 118.17 1x52 s VAL 109 Ca 0.00 0.09 -0.11 0.00 -2.93 0.00 0.00 61.98 59.02 1x52 s VAL 109 Cb 0.00 -0.32 0.03 0.00 -1.53 0.00 0.00 36.38 34.57 1x52 s VAL 109 CO 0.00 0.04 0.67 0.00 -3.33 0.00 0.00 175.10 172.48 1x52 s ALA 110 N 0.73 -0.24 -0.19 1.54 0.00 -0.13 -0.85 121.76 122.63 1x52 s ALA 110 Ca -0.05 -0.99 -0.28 0.00 0.00 0.00 0.00 51.96 50.64 1x52 s ALA 110 Cb -0.07 0.86 0.08 0.00 0.00 0.00 0.00 23.12 24.00 1x52 s ALA 110 CO -0.04 -0.92 0.79 0.00 0.00 0.00 0.00 175.76 175.59 1x52 s ALA 111 N -2.70 -1.83 0.26 0.00 0.00 -0.66 -0.55 121.76 116.29 1x52 s ALA 111 Ca 0.21 1.73 -0.21 0.00 0.00 0.00 0.00 51.96 53.68 1x52 s ALA 111 Cb -0.03 -0.79 -0.09 0.00 0.00 0.00 0.00 23.12 22.21 1x52 s ALA 111 CO 0.14 -0.33 0.79 0.42 0.00 0.00 0.00 175.76 176.78 1x52 s ILE 112 N -0.32 4.48 -0.04 0.00 1.01 0.08 -2.53 121.20 123.87 1x52 s ILE 112 Ca -0.03 1.41 0.06 0.00 0.00 0.00 0.00 60.65 62.09 1x52 s ILE 112 Cb -0.03 -3.88 -0.02 0.00 0.01 0.00 0.00 42.46 38.54 1x52 s ILE 112 CO 0.03 0.16 -0.21 -0.76 0.00 0.00 0.00 174.94 174.16 1x52 s LEU 113 N -2.07 2.32 0.49 2.97 1.43 -0.31 -1.06 118.68 122.46 1x52 s LEU 113 Ca 0.46 -0.37 0.26 0.00 -1.03 0.00 0.00 54.13 53.45 1x52 s LEU 113 Cb -0.17 -1.43 1.24 0.00 0.03 0.00 0.00 46.19 45.86 1x52 s LEU 113 CO 0.21 0.32 1.97 0.03 0.23 0.00 0.00 176.35 179.11 1x52 h ARG 114 N 5.53 0.00 -3.35 1.70 3.08 -1.00 -3.46 114.38 116.89 1x52 h ARG 114 Ca -0.43 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.55 1x52 h ARG 114 Cb 1.14 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 31.04 1x52 h ARG 114 CO 0.48 0.16 -0.18 -0.59 -1.07 0.00 0.00 179.97 178.78 1x52 s PHE 115 N -3.94 -0.13 -0.20 3.04 -0.12 -1.26 -5.11 117.98 110.25 1x52 s PHE 115 Ca -0.01 -0.08 -0.29 0.00 -0.05 0.00 0.00 56.93 56.49 1x52 s PHE 115 Cb 0.12 0.15 -0.02 0.00 -0.63 0.00 0.00 43.02 42.64 1x52 s PHE 115 CO 0.60 -0.59 1.47 -1.25 -0.05 0.00 0.00 175.22 175.40 1x52 s PRO 116 N -3.15 3.98 -0.23 1.99 0.04 -1.26 -4.66 135.00 131.71 1x52 s PRO 116 Ca -0.01 1.65 -0.29 0.00 0.04 0.00 0.00 61.00 62.39 1x52 s PRO 116 Cb 0.01 -3.93 -0.00 0.00 0.04 0.00 0.00 34.50 30.61 1x52 s PRO 116 CO -0.07 -1.05 1.25 0.08 0.04 0.00 0.00 177.00 177.25 1x52 s VAL 117 N 4.44 4.27 -0.04 -0.36 1.01 -1.01 -4.97 120.40 123.75 1x52 s VAL 117 Ca 0.64 1.49 -0.30 0.00 0.00 0.00 0.00 61.98 63.82 1x52 s VAL 117 Cb -0.24 -4.11 -0.06 0.00 0.00 0.00 0.00 36.38 31.98 1x52 s VAL 117 CO 0.24 -0.30 1.61 -2.16 0.00 0.00 0.00 175.10 174.50 1x52 s PRO 118 N 3.76 4.20 0.00 2.72 0.04 -1.26 -4.86 135.00 139.59 1x52 s PRO 118 Ca 0.54 2.16 0.00 0.00 0.04 0.00 0.00 61.00 63.74 1x52 s PRO 118 Cb -0.19 -3.89 0.00 0.00 0.04 0.00 0.00 34.50 30.47 1x52 s PRO 118 CO 0.17 -0.80 0.00 0.45 0.04 0.00 0.00 177.00 176.87 1x52 n SER 119 N 6.74 0.00 -2.92 6.66 2.88 -1.26 -5.14 113.62 120.58 1x52 n SER 119 Ca 0.16 -0.10 -0.11 0.00 -1.33 0.00 0.00 58.87 57.49 1x52 n SER 119 Cb 0.43 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.89 1x52 n SER 119 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x52 s GLY 120 N -0.41 0.85 -0.03 0.46 0.00 -1.26 -5.13 107.32 101.81 1x52 s GLY 120 Ca 0.00 -1.09 -0.30 0.00 0.00 0.00 0.00 44.72 43.33 1x52 s GLY 120 CO 0.00 -0.59 1.49 2.56 0.00 0.00 0.00 173.10 176.57 1x52 s PRO 121 N -2.40 4.23 0.00 2.90 0.04 -1.26 -4.82 135.00 133.69 1x52 s PRO 121 Ca 0.21 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.29 1x52 s PRO 121 Cb -0.03 -3.74 0.00 0.00 0.04 0.00 0.00 34.50 30.77 1x52 s PRO 121 CO 0.16 -0.70 0.00 0.43 0.04 0.00 0.00 177.00 176.92 1x52 n SER 122 N 6.15 0.10 -0.02 6.66 7.64 -1.26 -4.88 113.62 128.01 1x52 n SER 122 Ca 0.15 -0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.96 1x52 n SER 122 Cb 0.43 0.02 -0.13 0.00 -1.01 0.00 0.00 64.21 63.52 1x52 n SER 122 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1x52 n SER 123 N -0.03 0.80 0.00 6.43 3.41 -1.26 -5.26 113.62 117.70 1x52 n SER 123 Ca 0.00 0.38 0.00 0.00 -0.26 0.00 0.00 58.87 58.99 1x52 n SER 123 Cb 0.00 0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 1x52 n SER 123 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49