#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2diy s SER 2 N 0.00 6.83 -0.01 1.61 0.01 -1.26 -4.90 113.70 115.98 2diy s SER 2 Ca 0.00 -2.78 -0.22 0.00 1.31 0.00 0.00 55.95 54.26 2diy s SER 2 Cb 0.00 -2.22 -0.14 0.00 0.21 0.00 0.00 66.02 63.87 2diy s SER 2 CO 0.00 -0.56 1.00 -1.28 0.41 0.00 0.00 173.24 172.81 2diy h SER 3 N 7.68 -0.45 -1.48 2.44 0.87 -2.12 -3.50 113.55 117.00 2diy h SER 3 Ca 0.12 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2diy h SER 3 Cb 1.02 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 2diy h SER 3 CO 0.80 -0.03 0.00 0.61 -0.53 0.00 0.00 176.83 177.68 2diy n GLY 4 N -0.05 -0.99 3.33 5.77 0.00 -1.26 -5.13 105.19 106.85 2diy n GLY 4 Ca -0.09 -0.80 0.03 0.00 0.00 0.00 0.00 46.02 45.16 2diy n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2diy s SER 5 N 0.00 -0.60 -0.14 1.61 0.15 -1.26 -5.04 113.70 108.43 2diy s SER 5 Ca 0.00 0.68 -0.05 0.00 0.70 0.00 0.00 55.95 57.28 2diy s SER 5 Cb 0.00 1.62 -0.13 0.00 -1.71 0.00 0.00 66.02 65.80 2diy s SER 5 CO 0.00 -0.11 3.17 -1.54 1.20 0.00 0.00 173.24 175.96 2diy n SER 6 N 5.10 5.65 0.00 5.45 3.41 -1.26 -4.89 113.62 127.09 2diy n SER 6 Ca -0.08 -2.70 0.00 0.00 -0.26 0.00 0.00 58.87 55.83 2diy n SER 6 Cb 0.53 -1.32 0.00 0.00 -0.26 0.00 0.00 64.21 63.15 2diy n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2diy n GLY 7 N 1.86 0.87 1.01 5.00 0.00 -1.26 -5.03 105.19 107.63 2diy n GLY 7 Ca 0.40 -1.71 -0.00 0.00 0.00 0.00 0.00 46.02 44.71 2diy n GLY 7 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2diy n MET 8 N 0.96 0.01 -3.98 1.61 0.00 -1.26 -5.10 117.12 109.36 2diy n MET 8 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.70 57.61 2diy n MET 8 Cb 0.00 -0.52 -0.11 0.00 0.00 0.00 0.00 33.22 32.59 2diy n MET 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2diy s ALA 9 N -2.02 0.10 -0.12 -5.12 0.00 -1.26 -5.14 121.76 108.20 2diy s ALA 9 Ca -0.01 -0.62 -0.21 0.00 0.00 0.00 0.00 51.96 51.12 2diy s ALA 9 Cb 0.00 0.17 -0.03 0.00 0.00 0.00 0.00 23.12 23.26 2diy s ALA 9 CO 0.01 -0.21 0.61 0.00 0.00 0.00 0.00 175.76 176.17 2diy s ALA 10 N -1.92 3.44 -0.46 0.00 0.00 -1.26 -5.02 121.76 116.54 2diy s ALA 10 Ca -0.11 -0.09 0.03 0.00 0.00 0.00 0.00 51.96 51.79 2diy s ALA 10 Cb -0.06 -2.86 0.16 0.00 0.00 0.00 0.00 23.12 20.35 2diy s ALA 10 CO -0.02 -0.21 0.33 0.20 0.00 0.00 0.00 175.76 176.06 2diy s GLY 11 N 0.87 1.54 -0.52 0.00 0.00 -1.26 -4.86 107.32 103.08 2diy s GLY 11 Ca 0.31 -2.64 -0.03 0.00 0.00 0.00 0.00 44.72 42.36 2diy s GLY 11 CO 0.13 1.84 0.45 0.00 0.00 0.00 0.00 173.10 175.53 2diy n ALA 12 N 2.97 -0.56 -2.88 3.20 0.00 -1.26 -5.04 120.51 116.94 2diy n ALA 12 Ca 0.22 0.13 -0.30 0.00 0.00 0.00 0.00 53.44 53.49 2diy n ALA 12 Cb 0.42 -2.28 -0.05 0.00 0.00 0.00 0.00 19.45 17.54 2diy n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2diy s ALA 13 N -3.13 3.89 0.01 0.00 0.00 -1.26 -5.12 121.76 116.15 2diy s ALA 13 Ca 0.19 -0.91 0.03 0.00 0.00 0.00 0.00 51.96 51.27 2diy s ALA 13 Cb -0.09 -1.72 -0.01 0.00 0.00 0.00 0.00 23.12 21.31 2diy s ALA 13 CO 0.29 0.78 -0.09 -1.83 0.00 0.00 0.00 175.76 174.91 2diy s GLU 14 N -2.56 0.66 -0.24 0.00 -1.05 -1.26 -5.05 118.70 109.20 2diy s GLU 14 Ca 0.33 -0.44 0.15 0.00 -0.15 0.00 0.00 54.97 54.87 2diy s GLU 14 Cb -0.13 -0.61 0.47 0.00 -0.44 0.00 0.00 34.13 33.43 2diy s GLU 14 CO 0.26 0.16 1.16 0.00 0.95 0.00 0.00 175.26 177.80 2diy n ALA 15 N 2.48 3.75 -3.67 -0.84 0.00 -1.26 -5.02 120.51 115.96 2diy n ALA 15 Ca -0.16 -3.23 -0.19 0.00 0.00 0.00 0.00 53.44 49.86 2diy n ALA 15 Cb 0.56 -0.56 -0.17 0.00 0.00 0.00 0.00 19.45 19.29 2diy n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2diy s ALA 16 N -3.27 0.10 -0.12 0.00 0.00 -1.26 -5.14 121.76 112.07 2diy s ALA 16 Ca 0.39 0.32 0.01 0.00 0.00 0.00 0.00 51.96 52.68 2diy s ALA 16 Cb 0.37 -0.68 -0.01 0.00 0.00 0.00 0.00 23.12 22.80 2diy s ALA 16 CO -0.02 -0.51 -0.14 0.08 0.00 0.00 0.00 175.76 175.17 2diy s VAL 17 N 2.19 2.95 -0.40 0.00 1.01 -1.26 -5.02 120.40 119.87 2diy s VAL 17 Ca 0.04 -0.71 0.05 0.00 0.00 0.00 0.00 61.98 61.37 2diy s VAL 17 Cb -0.12 -2.22 0.44 0.00 0.00 0.00 0.00 36.38 34.48 2diy s VAL 17 CO -0.04 0.54 1.24 0.00 0.00 0.00 0.00 175.10 176.83 2diy n ALA 18 N 3.35 5.18 -2.47 5.51 0.00 -1.26 -4.97 120.51 125.85 2diy n ALA 18 Ca -0.18 -4.02 -0.22 0.00 0.00 0.00 0.00 53.44 49.02 2diy n ALA 18 Cb 0.53 -0.56 -0.12 0.00 0.00 0.00 0.00 19.45 19.30 2diy n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2diy s ALA 19 N -3.61 1.97 -0.50 0.00 0.00 -1.26 -4.14 121.76 114.22 2diy s ALA 19 Ca 0.50 -1.43 -0.29 0.00 0.00 0.00 0.00 51.96 50.74 2diy s ALA 19 Cb 0.41 -0.20 0.03 0.00 0.00 0.00 0.00 23.12 23.36 2diy s ALA 19 CO -0.08 0.27 1.14 0.08 0.00 0.00 0.00 175.76 177.18 2diy s VAL 20 N -1.82 4.17 -0.01 0.00 1.01 -1.26 -4.75 120.40 117.75 2diy s VAL 20 Ca 0.14 1.13 -0.30 0.00 0.00 0.00 0.00 61.98 62.94 2diy s VAL 20 Cb -0.07 -4.63 -0.04 0.00 0.00 0.00 0.00 36.38 31.64 2diy s VAL 20 CO 0.06 -1.09 1.17 -1.61 0.00 0.00 0.00 175.10 173.63 2diy s GLU 21 N 4.56 4.41 -0.57 2.72 0.41 -1.04 -4.74 118.70 124.44 2diy s GLU 21 Ca 0.46 1.67 -0.22 0.00 -0.41 0.00 0.00 54.97 56.47 2diy s GLU 21 Cb -0.07 -3.47 0.06 0.00 -1.78 0.00 0.00 34.13 28.86 2diy s GLU 21 CO 0.30 -0.33 0.87 -2.00 -0.49 0.00 0.00 175.26 173.61 2diy s GLU 22 N 1.67 3.21 -0.21 1.61 2.12 -1.26 -1.67 118.70 124.17 2diy s GLU 22 Ca 0.56 -0.61 -0.35 0.00 0.36 0.00 0.00 54.97 54.93 2diy s GLU 22 Cb -0.26 -4.12 -0.12 0.00 0.26 0.00 0.00 34.13 29.89 2diy s GLU 22 CO 0.25 -1.52 1.98 0.28 -0.54 0.00 0.00 175.26 175.71 2diy n VAL 23 N 5.96 0.41 0.03 3.70 0.31 -1.02 -4.85 118.33 122.86 2diy n VAL 23 Ca -0.02 -0.18 -0.12 0.00 -0.01 0.00 0.00 64.34 64.01 2diy n VAL 23 Cb 0.46 -1.78 0.00 0.00 -0.91 0.00 0.00 33.84 31.62 2diy n VAL 23 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2diy h GLY 24 N 10.40 0.58 -1.82 2.92 0.00 -1.94 -3.42 103.07 109.79 2diy h GLY 24 Ca -0.41 -0.80 0.06 0.00 0.00 0.00 0.00 47.33 46.18 2diy h GLY 24 CO 0.97 0.71 0.28 -1.35 0.00 0.00 0.00 176.54 177.15 2diy s SER 25 N -7.00 -0.18 0.24 0.19 1.04 -1.26 -4.74 113.70 101.98 2diy s SER 25 Ca -0.07 -0.71 -0.07 0.00 0.48 0.00 0.00 55.95 55.58 2diy s SER 25 Cb 0.10 0.73 0.41 0.00 0.10 0.00 0.00 66.02 67.36 2diy s SER 25 CO 0.86 -1.37 1.68 0.00 0.98 0.00 0.00 173.24 175.38 2diy h ALA 26 N 2.00 0.84 -0.68 5.32 0.00 -1.92 -0.63 119.26 124.18 2diy h ALA 26 Ca -0.23 0.18 0.14 0.00 0.00 0.00 0.00 54.91 55.00 2diy h ALA 26 Cb 1.25 0.27 -0.10 0.00 0.00 0.00 0.00 17.79 19.21 2diy h ALA 26 CO 0.28 -0.36 0.18 0.78 0.00 0.00 0.00 179.25 180.13 2diy h GLY 27 N 0.21 0.94 0.95 0.00 0.00 -1.97 0.54 103.07 103.74 2diy h GLY 27 Ca 0.39 -0.06 0.01 0.00 0.00 0.00 0.00 47.33 47.67 2diy h GLY 27 CO -0.52 -0.14 0.07 -1.61 0.00 0.00 0.00 176.54 174.34 2diy h GLN 28 N 0.30 0.15 0.34 4.80 4.15 -1.52 -0.58 115.11 122.76 2diy h GLN 28 Ca 0.37 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.77 2diy h GLN 28 Cb 0.59 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.24 2diy h GLN 28 CO -0.44 0.10 -0.16 0.35 -1.93 0.00 0.00 178.83 176.75 2diy h PHE 29 N 0.16 -0.43 -0.98 3.99 3.57 -0.96 -1.66 116.94 120.63 2diy h PHE 29 Ca 0.06 -0.01 0.33 0.00 3.53 0.00 0.00 57.97 61.88 2diy h PHE 29 Cb 0.00 0.14 -0.16 0.00 2.79 0.00 0.00 35.95 38.72 2diy h PHE 29 CO -0.09 -0.27 0.43 0.93 -2.23 0.00 0.00 178.31 177.09 2diy h GLU 30 N -0.69 0.15 0.27 1.11 4.39 -0.02 0.15 114.58 119.94 2diy h GLU 30 Ca -0.05 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 2diy h GLU 30 Cb 0.35 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 2diy h GLU 30 CO 0.08 0.10 -0.13 1.49 -1.16 0.00 0.00 179.01 179.39 2diy h GLU 31 N 0.16 -0.35 -0.77 2.33 4.81 -1.11 -3.15 114.58 116.50 2diy h GLU 31 Ca 0.72 0.02 0.16 0.00 -0.13 0.00 0.00 59.36 60.14 2diy h GLU 31 Cb 1.71 0.08 -0.11 0.00 0.63 0.00 0.00 28.75 31.06 2diy h GLU 31 CO -0.71 -0.04 0.26 1.25 -0.73 0.00 0.00 179.01 179.03 2diy h LEU 32 N -0.66 0.16 -0.99 1.64 5.85 0.23 -0.46 115.31 121.07 2diy h LEU 32 Ca -0.04 0.13 0.34 0.00 0.84 0.00 0.00 57.88 59.15 2diy h LEU 32 Cb 0.47 0.14 -0.18 0.00 0.37 0.00 0.00 40.66 41.46 2diy h LEU 32 CO 0.06 0.02 0.26 -0.07 -0.34 0.00 0.00 178.44 178.37 2diy h LEU 33 N 0.36 -0.11 0.14 2.25 3.38 -1.10 0.59 115.31 120.81 2diy h LEU 33 Ca 0.44 0.27 -0.01 0.00 0.09 0.00 0.00 57.88 58.67 2diy h LEU 33 Cb 0.73 0.39 0.00 0.00 0.09 0.00 0.00 40.66 41.87 2diy h LEU 33 CO -0.47 -0.39 -0.07 0.03 0.09 0.00 0.00 178.44 177.64 2diy h ARG 34 N 0.01 -0.18 0.33 1.13 3.08 -1.19 -2.87 114.38 114.71 2diy h ARG 34 Ca 0.71 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.77 2diy h ARG 34 Cb 1.68 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 31.75 2diy h ARG 34 CO -0.85 0.28 -0.42 -0.07 -1.07 0.00 0.00 179.97 177.85 2diy h LEU 35 N -0.85 -1.17 -3.11 3.04 3.38 -0.63 -2.03 115.31 113.94 2diy h LEU 35 Ca -0.02 0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 2diy h LEU 35 Cb 0.54 0.40 -0.04 0.00 0.09 0.00 0.00 40.66 41.64 2diy h LEU 35 CO 0.03 -0.52 0.13 0.29 0.09 0.00 0.00 178.44 178.46 2diy n LYS 36 N -4.90 1.26 -0.03 1.13 4.76 0.18 -4.29 118.16 116.27 2diy n LYS 36 Ca -0.09 -0.51 -0.15 0.00 -2.87 0.00 0.00 58.31 54.69 2diy n LYS 36 Cb 0.36 -1.20 -0.10 0.00 -1.84 0.00 0.00 35.03 32.25 2diy n LYS 36 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2diy h ALA 37 N 1.19 0.07 -0.31 7.82 0.00 -1.12 -3.31 119.26 123.60 2diy h ALA 37 Ca 0.09 -0.44 0.02 0.00 0.00 0.00 0.00 54.91 54.58 2diy h ALA 37 Cb 0.99 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 2diy h ALA 37 CO 0.24 0.11 0.17 0.87 0.00 0.00 0.00 179.25 180.64 2diy h LYS 38 N -0.36 0.33 -7.72 0.00 1.57 -1.81 -2.79 116.57 105.79 2diy h LYS 38 Ca -0.03 -0.02 -0.45 0.00 -1.87 0.00 0.00 60.65 58.28 2diy h LYS 38 Cb 0.96 -0.08 0.14 0.00 0.08 0.00 0.00 32.23 33.34 2diy h LYS 38 CO 0.05 0.22 0.40 -1.12 -0.57 0.00 0.00 179.45 178.43 2diy s SER 39 N -5.42 3.56 -0.01 0.86 0.01 -1.25 -4.89 113.70 106.57 2diy s SER 39 Ca -0.13 0.36 -0.19 0.00 1.31 0.00 0.00 55.95 57.29 2diy s SER 39 Cb 0.10 -0.54 -0.05 0.00 0.21 0.00 0.00 66.02 65.74 2diy s SER 39 CO 0.71 -2.45 0.56 -0.22 0.41 0.00 0.00 173.24 172.24 2diy s LEU 40 N -5.75 4.42 -0.03 2.44 2.96 -1.23 -4.58 118.68 116.91 2diy s LEU 40 Ca 0.70 1.11 0.03 0.00 -0.22 0.00 0.00 54.13 55.76 2diy s LEU 40 Cb -0.06 -2.86 -0.03 0.00 0.50 0.00 0.00 46.19 43.75 2diy s LEU 40 CO 0.51 0.13 -0.11 -0.22 -1.32 0.00 0.00 176.35 175.35 2diy s LEU 41 N -0.30 2.93 -0.27 -0.68 2.96 -1.08 0.68 118.68 122.92 2diy s LEU 41 Ca 0.29 -0.16 0.00 0.00 -0.22 0.00 0.00 54.13 54.04 2diy s LEU 41 Cb -0.18 -1.64 0.08 0.00 0.50 0.00 0.00 46.19 44.95 2diy s LEU 41 CO 0.16 0.33 0.04 -0.69 -1.32 0.00 0.00 176.35 174.86 2diy s VAL 42 N -0.83 1.22 -0.64 1.68 1.01 0.14 -2.14 120.40 120.84 2diy s VAL 42 Ca 0.13 -1.35 -0.19 0.00 0.00 0.00 0.00 61.98 60.58 2diy s VAL 42 Cb -0.11 -1.75 0.11 0.00 0.00 0.00 0.00 36.38 34.64 2diy s VAL 42 CO 0.03 -0.42 0.75 -0.69 0.00 0.00 0.00 175.10 174.77 2diy s VAL 43 N 1.49 4.86 -0.25 2.92 1.01 -0.66 -0.25 120.40 129.52 2diy s VAL 43 Ca 0.03 -1.14 -0.17 0.00 0.00 0.00 0.00 61.98 60.70 2diy s VAL 43 Cb -0.18 -4.52 -0.03 0.00 0.00 0.00 0.00 36.38 31.65 2diy s VAL 43 CO -0.14 -1.16 0.46 -2.28 0.00 0.00 0.00 175.10 171.98 2diy s HIS 44 N 2.53 3.29 -0.46 5.22 5.65 -0.23 -0.39 115.29 130.90 2diy s HIS 44 Ca 0.14 0.59 -0.29 0.00 0.25 0.00 0.00 55.06 55.75 2diy s HIS 44 Cb -0.21 -2.64 0.03 0.00 -1.18 0.00 0.00 32.58 28.57 2diy s HIS 44 CO 0.04 -0.20 1.12 -0.06 -0.65 0.00 0.00 174.74 174.98 2diy s PHE 45 N 2.01 2.85 0.05 3.88 0.40 0.11 -1.56 117.98 125.71 2diy s PHE 45 Ca 0.20 0.73 0.04 0.00 -0.60 0.00 0.00 56.93 57.30 2diy s PHE 45 Cb -0.15 -4.34 -0.04 0.00 0.51 0.00 0.00 43.02 39.00 2diy s PHE 45 CO 0.09 -1.22 -0.05 1.67 0.70 0.00 0.00 175.22 176.41 2diy s TRP 46 N 4.33 2.90 0.01 0.36 1.48 -0.70 -3.22 118.94 124.10 2diy s TRP 46 Ca 0.47 -0.05 0.03 0.00 -1.06 0.00 0.00 56.10 55.49 2diy s TRP 46 Cb -0.08 -1.56 -0.01 0.00 -1.16 0.00 0.00 33.47 30.66 2diy s TRP 46 CO 0.30 0.42 -0.10 0.00 -4.06 0.00 0.00 176.95 173.50 2diy s ALA 47 N -1.13 0.85 -1.77 2.67 0.00 -1.26 -3.17 121.76 117.94 2diy s ALA 47 Ca 0.20 -0.57 0.15 0.00 0.00 0.00 0.00 51.96 51.74 2diy s ALA 47 Cb -0.11 -0.16 0.86 0.00 0.00 0.00 0.00 23.12 23.71 2diy s ALA 47 CO 0.12 0.17 1.37 -0.35 0.00 0.00 0.00 175.76 177.06 2diy n PRO 48 N 2.37 0.38 -0.07 0.00 -0.04 -1.26 -3.13 135.00 133.26 2diy n PRO 48 Ca -0.16 0.06 -0.12 0.00 -0.04 0.00 0.00 63.50 63.24 2diy n PRO 48 Cb 0.56 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.46 2diy n PRO 48 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2diy n TRP 49 N -1.11 0.00 -1.65 0.54 4.27 -1.26 -4.95 117.44 113.27 2diy n TRP 49 Ca 0.10 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.28 2diy n TRP 49 Cb 0.08 -0.50 -0.03 0.00 -1.36 0.00 0.00 31.31 29.50 2diy n TRP 49 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2diy s ALA 50 N -2.26 2.84 -0.94 -1.67 0.00 -1.18 -4.83 121.76 113.73 2diy s ALA 50 Ca -0.19 0.80 0.15 0.00 0.00 0.00 0.00 51.96 52.73 2diy s ALA 50 Cb 0.06 -4.04 0.65 0.00 0.00 0.00 0.00 23.12 19.79 2diy s ALA 50 CO 0.27 -2.63 1.48 -0.35 0.00 0.00 0.00 175.76 174.53 2diy n PRO 51 N 8.58 0.02 0.01 0.00 -0.04 -1.26 -3.17 135.00 139.14 2diy n PRO 51 Ca 0.28 0.28 -0.13 0.00 -0.04 0.00 0.00 63.50 63.89 2diy n PRO 51 Cb 0.45 -1.54 -0.09 0.00 -0.04 0.00 0.00 33.50 32.27 2diy n PRO 51 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2diy h GLN 52 N 0.00 -0.01 -1.53 0.54 4.20 -1.94 -2.97 115.11 113.39 2diy h GLN 52 Ca 0.00 0.00 0.49 0.00 0.06 0.00 0.00 58.65 59.20 2diy h GLN 52 Cb 0.26 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 27.93 2diy h GLN 52 CO 0.00 0.33 1.04 0.00 -0.67 0.00 0.00 178.83 179.52 2diy n ALA 54 N -2.66 0.00 0.03 0.00 0.00 -1.12 0.74 120.51 117.50 2diy n ALA 54 Ca 0.40 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.72 2diy n ALA 54 Cb 1.66 0.41 -0.09 0.00 0.00 0.00 0.00 19.45 21.43 2diy n ALA 54 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2diy h GLN 55 N 0.00 -0.12 -1.15 0.00 3.07 -1.58 -3.07 115.11 112.25 2diy h GLN 55 Ca 0.00 0.01 0.33 0.00 0.09 0.00 0.00 58.65 59.08 2diy h GLN 55 Cb 0.00 0.03 -0.05 0.00 0.08 0.00 0.00 27.48 27.54 2diy h GLN 55 CO 0.00 0.35 1.09 0.52 0.09 0.00 0.00 178.83 180.88 2diy h MET 56 N -0.67 0.00 0.19 0.06 2.86 -1.31 0.30 114.93 116.36 2diy h MET 56 Ca -0.01 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 2diy h MET 56 Cb 0.53 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.19 2diy h MET 56 CO 0.02 0.00 -0.09 -0.97 1.06 0.00 0.00 176.91 176.93 2diy h ASN 57 N 0.00 -0.21 -0.51 1.22 -1.24 0.41 -3.09 115.58 112.17 2diy h ASN 57 Ca 0.55 0.01 0.15 0.00 0.71 0.00 0.00 56.30 57.71 2diy h ASN 57 Cb 2.72 0.06 -0.02 0.00 0.73 0.00 0.00 38.32 41.81 2diy h ASN 57 CO -0.01 0.07 0.42 1.05 -1.29 0.00 0.00 177.43 177.68 2diy h GLU 58 N -0.70 0.00 -0.55 6.67 -0.00 -1.08 0.86 114.58 119.78 2diy h GLU 58 Ca -0.03 0.00 -0.09 0.00 -0.00 0.00 0.00 59.36 59.25 2diy h GLU 58 Cb 0.19 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 28.92 2diy h GLU 58 CO 0.04 0.00 0.00 0.28 -0.00 0.00 0.00 179.01 179.33 2diy h VAL 59 N 0.00 1.26 -0.15 -1.06 2.07 -1.09 -2.90 116.25 114.38 2diy h VAL 59 Ca 0.24 -1.09 -0.23 0.00 0.82 0.00 0.00 66.70 66.45 2diy h VAL 59 Cb 1.08 0.83 0.01 0.00 -1.52 0.00 0.00 31.29 31.70 2diy h VAL 59 CO -0.00 0.39 -0.78 0.24 0.02 0.00 0.00 177.57 177.44 2diy h MET 60 N 0.87 0.80 -0.26 1.57 2.86 -0.75 -3.10 114.93 116.92 2diy h MET 60 Ca 0.16 -0.66 0.06 0.00 -2.06 0.00 0.00 59.70 57.21 2diy h MET 60 Cb 0.51 0.14 -0.07 0.00 0.06 0.00 0.00 31.60 32.24 2diy h MET 60 CO 0.03 1.26 -0.20 0.00 1.06 0.00 0.00 176.91 179.06 2diy h ALA 61 N 0.55 -0.04 -0.94 6.32 0.00 -1.30 0.39 119.26 124.24 2diy h ALA 61 Ca -0.05 0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.98 2diy h ALA 61 Cb 1.41 0.44 -0.05 0.00 0.00 0.00 0.00 17.79 19.59 2diy h ALA 61 CO 0.16 -0.61 0.61 0.93 0.00 0.00 0.00 179.25 180.34 2diy h GLU 62 N -0.19 1.16 -0.42 0.00 5.08 -1.58 -2.12 114.58 116.51 2diy h GLU 62 Ca 0.14 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.33 2diy h GLU 62 Cb 0.41 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 2diy h GLU 62 CO -0.38 0.77 -0.18 -0.07 -1.00 0.00 0.00 179.01 178.15 2diy h LEU 63 N 1.20 0.82 -0.16 1.33 3.38 -1.17 -1.74 115.31 118.96 2diy h LEU 63 Ca 0.37 -0.28 0.05 0.00 0.09 0.00 0.00 57.88 58.10 2diy h LEU 63 Cb -0.02 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.44 2diy h LEU 63 CO -0.11 0.99 -0.42 0.00 0.09 0.00 0.00 178.44 178.98 2diy h ALA 64 N 1.08 -0.58 -0.26 1.53 0.00 0.42 0.27 119.26 121.72 2diy h ALA 64 Ca 0.11 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 2diy h ALA 64 Cb 0.69 0.81 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 2diy h ALA 64 CO 0.05 -0.92 -0.12 1.57 0.00 0.00 0.00 179.25 179.83 2diy h LYS 65 N -0.47 0.55 -0.77 0.00 2.10 -1.53 -3.13 116.57 113.31 2diy h LYS 65 Ca 0.08 -0.24 0.14 0.00 -2.00 0.00 0.00 60.65 58.63 2diy h LYS 65 Cb 0.62 -0.02 -0.09 0.00 -0.90 0.00 0.00 32.23 31.84 2diy h LYS 65 CO -0.42 0.80 0.34 1.49 -2.00 0.00 0.00 179.45 179.65 2diy h GLU 66 N 0.28 0.48 -3.96 0.07 4.57 -0.86 -3.30 114.58 111.86 2diy h GLU 66 Ca 0.06 -0.03 -0.67 0.00 -1.18 0.00 0.00 59.36 57.54 2diy h GLU 66 Cb 0.63 -0.11 -0.38 0.00 -0.16 0.00 0.00 28.75 28.73 2diy h GLU 66 CO 0.04 0.32 -0.55 -0.51 -1.18 0.00 0.00 179.01 177.12 2diy s LEU 67 N -10.42 4.89 0.33 1.64 1.43 0.92 -4.93 118.68 112.54 2diy s LEU 67 Ca -0.12 -2.57 0.26 0.00 -1.03 0.00 0.00 54.13 50.66 2diy s LEU 67 Cb 0.21 -1.74 1.09 0.00 0.03 0.00 0.00 46.19 45.77 2diy s LEU 67 CO 0.77 -0.37 1.78 1.55 0.23 0.00 0.00 176.35 180.31 2diy h PRO 68 N 7.23 0.00 -0.70 1.29 0.13 -1.65 -2.62 132.00 135.68 2diy h PRO 68 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 2diy h PRO 68 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 2diy h PRO 68 CO 0.66 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.43 2diy n GLN 69 N -2.45 2.82 -4.33 0.86 10.64 -1.26 -4.87 117.38 118.79 2diy n GLN 69 Ca 0.02 -1.60 -0.20 0.00 -1.83 0.00 0.00 57.00 53.38 2diy n GLN 69 Cb 0.24 -1.78 -0.11 0.00 -0.86 0.00 0.00 30.24 27.73 2diy n GLN 69 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 2diy s VAL 70 N -1.83 1.75 -0.30 -0.39 1.01 -0.99 -3.50 120.40 116.15 2diy s VAL 70 Ca 0.28 -2.00 0.02 0.00 0.00 0.00 0.00 61.98 60.28 2diy s VAL 70 Cb 0.20 -1.88 0.09 0.00 0.00 0.00 0.00 36.38 34.79 2diy s VAL 70 CO 0.10 -0.42 0.03 -0.44 0.00 0.00 0.00 175.10 174.37 2diy s SER 71 N -2.87 4.27 -0.34 3.32 0.01 0.22 -4.93 113.70 113.37 2diy s SER 71 Ca 0.17 -1.68 -0.19 0.00 1.31 0.00 0.00 55.95 55.56 2diy s SER 71 Cb -0.04 -1.27 -0.00 0.00 0.21 0.00 0.00 66.02 64.92 2diy s SER 71 CO 0.06 -0.34 0.57 -0.36 0.41 0.00 0.00 173.24 173.58 2diy s PHE 72 N 1.26 3.18 -0.11 2.43 0.40 -1.26 0.28 117.98 124.16 2diy s PHE 72 Ca 0.05 0.30 0.01 0.00 -0.60 0.00 0.00 56.93 56.69 2diy s PHE 72 Cb -0.18 -2.99 0.02 0.00 0.51 0.00 0.00 43.02 40.37 2diy s PHE 72 CO -0.12 -0.55 -0.13 0.14 0.70 0.00 0.00 175.22 175.25 2diy s VAL 73 N 2.52 1.38 -0.23 -0.44 -7.23 0.65 -2.50 120.40 114.55 2diy s VAL 73 Ca 0.21 -0.56 -0.08 0.00 -1.81 0.00 0.00 61.98 59.74 2diy s VAL 73 Cb -0.15 -1.29 -0.04 0.00 0.56 0.00 0.00 36.38 35.46 2diy s VAL 73 CO 0.13 0.42 0.10 -1.59 -0.31 0.00 0.00 175.10 173.86 2diy s LYS 74 N 1.12 3.85 -0.07 4.82 -2.85 -0.67 -1.06 119.74 124.89 2diy s LYS 74 Ca -0.04 -0.38 0.03 0.00 -1.00 0.00 0.00 55.97 54.58 2diy s LYS 74 Cb -0.14 -3.38 -0.02 0.00 -2.06 0.00 0.00 37.83 32.22 2diy s LYS 74 CO -0.03 -0.02 -0.17 -1.17 0.10 0.00 0.00 175.35 174.05 2diy s LEU 75 N 1.22 2.53 -0.51 2.77 0.20 -0.60 -2.44 118.68 121.84 2diy s LEU 75 Ca 0.05 -0.32 -0.25 0.00 0.69 0.00 0.00 54.13 54.30 2diy s LEU 75 Cb -0.14 -1.51 0.03 0.00 -0.43 0.00 0.00 46.19 44.14 2diy s LEU 75 CO 0.04 0.27 0.97 -0.70 -0.29 0.00 0.00 176.35 176.64 2diy s GLU 76 N -0.29 3.45 0.23 1.98 -6.30 -1.26 -1.73 118.70 114.78 2diy s GLU 76 Ca 0.01 0.01 -0.15 0.00 -2.50 0.00 0.00 54.97 52.34 2diy s GLU 76 Cb -0.13 -3.99 0.27 0.00 0.00 0.00 0.00 34.13 30.28 2diy s GLU 76 CO 0.03 -1.39 1.58 0.00 0.02 0.00 0.00 175.26 175.49 2diy h ALA 77 N 9.24 0.30 0.00 6.30 0.00 -1.84 1.02 119.26 134.27 2diy h ALA 77 Ca -0.25 0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 2diy h ALA 77 Cb 1.07 0.77 -0.01 0.00 0.00 0.00 0.00 17.79 19.62 2diy h ALA 77 CO 1.07 -0.53 -0.28 0.93 0.00 0.00 0.00 179.25 180.44 2diy h GLU 78 N -0.05 0.00 0.25 0.00 4.39 -1.92 -3.23 114.58 114.03 2diy h GLU 78 Ca 0.34 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.03 2diy h GLU 78 Cb 0.59 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 2diy h GLU 78 CO -0.84 0.28 -0.12 0.78 -1.16 0.00 0.00 179.01 177.95 2diy h GLY 79 N 1.93 -0.35 -7.41 -3.84 0.00 0.46 -3.40 103.07 90.46 2diy h GLY 79 Ca -0.00 0.13 -0.73 0.00 0.00 0.00 0.00 47.33 46.73 2diy h GLY 79 CO 0.04 -0.13 0.02 0.14 0.00 0.00 0.00 176.54 176.61 2diy s VAL 80 N -2.64 4.74 0.29 4.60 1.01 0.12 -4.87 120.40 123.64 2diy s VAL 80 Ca -0.05 -3.65 0.07 0.00 0.00 0.00 0.00 61.98 58.35 2diy s VAL 80 Cb 0.00 -3.92 0.02 0.00 0.00 0.00 0.00 36.38 32.49 2diy s VAL 80 CO 0.15 -1.09 1.67 1.55 0.00 0.00 0.00 175.10 177.38 2diy h PRO 81 N 6.30 0.20 -0.99 2.72 0.13 -1.78 -3.14 132.00 135.44 2diy h PRO 81 Ca 0.15 -0.11 0.32 0.00 -0.87 0.00 0.00 66.00 65.49 2diy h PRO 81 Cb 0.84 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 31.83 2diy h PRO 81 CO 0.88 0.63 0.54 1.49 -0.23 0.00 0.00 178.00 181.31 2diy h GLU 82 N 0.17 0.30 0.00 0.86 4.57 -1.90 0.61 114.58 119.19 2diy h GLU 82 Ca 0.01 -0.02 -0.07 0.00 -1.18 0.00 0.00 59.36 58.10 2diy h GLU 82 Cb 0.88 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.40 2diy h GLU 82 CO 0.07 0.20 -0.39 0.28 -1.18 0.00 0.00 179.01 177.99 2diy h VAL 83 N 0.31 1.35 -1.01 0.32 2.07 -1.95 -3.32 116.25 114.02 2diy h VAL 83 Ca 0.72 -2.16 0.32 0.00 0.82 0.00 0.00 66.70 66.41 2diy h VAL 83 Cb 1.65 2.69 -0.15 0.00 -1.52 0.00 0.00 31.29 33.96 2diy h VAL 83 CO -0.62 0.46 0.58 0.28 0.02 0.00 0.00 177.57 178.29 2diy h SER 84 N -1.00 0.52 0.86 0.57 0.02 -1.24 -0.48 113.55 112.81 2diy h SER 84 Ca -0.10 0.19 -0.04 0.00 -0.84 0.00 0.00 61.79 60.99 2diy h SER 84 Cb 1.00 0.13 0.01 0.00 0.14 0.00 0.00 62.40 63.68 2diy h SER 84 CO -0.06 -0.12 -0.42 -0.08 -1.14 0.00 0.00 176.83 175.01 2diy h GLU 85 N 0.34 -1.12 -0.73 3.45 4.57 -1.05 1.95 114.58 121.99 2diy h GLU 85 Ca 0.73 0.08 0.07 0.00 -1.18 0.00 0.00 59.36 59.05 2diy h GLU 85 Cb 1.66 0.25 -0.09 0.00 -0.16 0.00 0.00 28.75 30.42 2diy h GLU 85 CO -0.59 -0.74 -0.43 1.17 -1.18 0.00 0.00 179.01 177.23 2diy n LYS 86 N -5.58 -0.32 0.09 1.92 4.81 -0.20 0.81 118.16 119.69 2diy n LYS 86 Ca -0.15 1.31 0.13 0.00 -0.87 0.00 0.00 58.31 58.73 2diy n LYS 86 Cb 0.46 -1.94 0.43 0.00 0.02 0.00 0.00 35.03 34.01 2diy n LYS 86 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2diy n TYR 87 N -4.67 0.82 -3.19 5.64 4.02 -1.12 -4.94 117.16 113.73 2diy n TYR 87 Ca 0.01 0.24 -0.15 0.00 -0.01 0.00 0.00 57.90 58.00 2diy n TYR 87 Cb 0.19 -0.89 0.07 0.00 -0.02 0.00 0.00 39.34 38.68 2diy n TYR 87 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 2diy n GLU 88 N -2.17 -5.50 -2.66 -0.72 1.02 0.62 -4.92 120.64 106.31 2diy n GLU 88 Ca 0.06 0.66 -0.42 0.00 -0.02 0.00 0.00 57.16 57.44 2diy n GLU 88 Cb 0.41 -5.15 -0.03 0.00 -0.02 0.00 0.00 31.44 26.66 2diy n GLU 88 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2diy s ILE 89 N -3.27 4.07 -0.49 -3.67 -1.09 0.11 -4.83 121.20 112.03 2diy s ILE 89 Ca 0.13 -0.63 0.02 0.00 -2.23 0.00 0.00 60.65 57.94 2diy s ILE 89 Cb -0.06 -4.94 0.46 0.00 -1.58 0.00 0.00 42.46 36.35 2diy s ILE 89 CO 0.57 -1.79 1.66 -1.54 -1.23 0.00 0.00 174.94 172.61 2diy n SER 90 N 8.43 6.22 -3.65 3.58 3.41 -1.26 -4.89 113.62 125.45 2diy n SER 90 Ca 0.21 -3.77 -0.14 0.00 -0.26 0.00 0.00 58.87 54.92 2diy n SER 90 Cb 0.50 -0.70 -0.08 0.00 -0.26 0.00 0.00 64.21 63.67 2diy n SER 90 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2diy s SER 91 N -2.58 -0.68 0.01 4.04 0.01 -1.26 -5.18 113.70 108.06 2diy s SER 91 Ca 0.58 1.31 -0.08 0.00 1.31 0.00 0.00 55.95 59.07 2diy s SER 91 Cb 0.46 1.32 0.00 0.00 0.21 0.00 0.00 66.02 68.02 2diy s SER 91 CO 0.01 -0.23 0.15 0.68 0.41 0.00 0.00 173.24 174.27 2diy s VAL 92 N 0.39 0.09 0.87 3.43 -7.23 -1.26 -4.19 120.40 112.51 2diy s VAL 92 Ca -0.00 -0.74 -0.11 0.00 -1.81 0.00 0.00 61.98 59.31 2diy s VAL 92 Cb -0.05 -0.55 0.11 0.00 0.56 0.00 0.00 36.38 36.46 2diy s VAL 92 CO 0.00 -0.41 1.09 -2.16 -0.31 0.00 0.00 175.10 173.31 2diy s PRO 93 N -1.65 1.46 -0.30 4.82 0.04 -1.26 -4.94 135.00 133.17 2diy s PRO 93 Ca -0.13 0.89 -0.05 0.00 0.04 0.00 0.00 61.00 61.75 2diy s PRO 93 Cb -0.06 -1.83 0.17 0.00 0.04 0.00 0.00 34.50 32.82 2diy s PRO 93 CO 0.01 -2.12 0.65 0.99 0.04 0.00 0.00 177.00 176.57 2diy s THR 94 N -2.93 -0.95 0.04 1.26 2.01 -1.20 -3.61 115.64 110.26 2diy s THR 94 Ca 0.63 0.00 -0.12 0.00 0.31 0.00 0.00 61.69 62.51 2diy s THR 94 Cb -0.18 -1.00 -0.06 0.00 0.01 0.00 0.00 72.50 71.28 2diy s THR 94 CO 0.57 0.00 0.40 -0.36 -0.69 0.00 0.00 174.62 174.54 2diy s PHE 95 N 2.86 3.66 -0.21 4.92 0.40 -0.88 0.04 117.98 128.76 2diy s PHE 95 Ca 0.11 0.90 -0.01 0.00 -0.60 0.00 0.00 56.93 57.33 2diy s PHE 95 Cb -0.13 -2.23 0.06 0.00 0.51 0.00 0.00 43.02 41.23 2diy s PHE 95 CO -0.20 0.59 -0.02 -0.51 0.70 0.00 0.00 175.22 175.78 2diy s LEU 96 N -1.47 1.93 -0.33 -0.37 1.43 0.48 -2.51 118.68 117.83 2diy s LEU 96 Ca 0.28 -1.00 -0.28 0.00 -1.03 0.00 0.00 54.13 52.10 2diy s LEU 96 Cb -0.15 -0.92 0.02 0.00 0.03 0.00 0.00 46.19 45.17 2diy s LEU 96 CO 0.15 -0.26 1.03 -0.36 0.23 0.00 0.00 176.35 177.14 2diy s PHE 97 N 1.60 3.13 -0.26 0.29 0.08 -1.01 -1.66 117.98 120.15 2diy s PHE 97 Ca -0.03 1.07 0.01 0.00 0.12 0.00 0.00 56.93 58.09 2diy s PHE 97 Cb -0.18 -3.68 0.05 0.00 -0.57 0.00 0.00 43.02 38.64 2diy s PHE 97 CO -0.07 -0.78 -0.08 -0.06 -0.10 0.00 0.00 175.22 174.13 2diy s PHE 98 N 3.60 3.19 -0.31 0.36 0.08 -0.91 -2.64 117.98 121.35 2diy s PHE 98 Ca 0.43 -2.03 -0.01 0.00 0.12 0.00 0.00 56.93 55.45 2diy s PHE 98 Cb -0.12 -2.00 0.07 0.00 -0.57 0.00 0.00 43.02 40.40 2diy s PHE 98 CO 0.16 -0.83 0.02 0.21 -0.10 0.00 0.00 175.22 174.68 2diy s LYS 99 N 1.19 2.24 -0.51 0.44 2.47 -1.06 -2.63 119.74 121.89 2diy s LYS 99 Ca -0.05 -1.43 -0.03 0.00 -1.56 0.00 0.00 55.97 52.90 2diy s LYS 99 Cb -0.19 -3.20 0.00 0.00 -1.46 0.00 0.00 37.83 32.98 2diy s LYS 99 CO -0.05 -0.71 0.44 -1.71 0.16 0.00 0.00 175.35 173.48 2diy n ASN 100 N 4.55 -3.43 -2.40 1.43 2.85 -1.05 -3.02 115.26 114.19 2diy n ASN 100 Ca -0.10 -0.21 -0.20 0.00 -0.11 0.00 0.00 54.58 53.96 2diy n ASN 100 Cb 0.43 -2.23 -0.01 0.00 1.24 0.00 0.00 39.78 39.20 2diy n ASN 100 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 2diy n SER 101 N -0.45 -5.67 -3.50 1.20 3.41 -1.26 -4.96 113.62 102.38 2diy n SER 101 Ca -0.01 0.01 -0.18 0.00 -0.26 0.00 0.00 58.87 58.43 2diy n SER 101 Cb 0.53 -4.74 -0.13 0.00 -0.26 0.00 0.00 64.21 59.61 2diy n SER 101 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2diy s GLN 102 N -5.03 0.18 0.11 4.33 -1.52 -1.17 -5.12 119.66 111.44 2diy s GLN 102 Ca 0.00 0.22 -0.34 0.00 -1.95 0.00 0.00 55.36 53.29 2diy s GLN 102 Cb 0.00 -1.18 -0.14 0.00 -0.22 0.00 0.00 33.01 31.48 2diy s GLN 102 CO 0.00 -0.64 1.63 1.17 -0.25 0.00 0.00 175.29 177.20 2diy n LYS 103 N 5.32 2.12 -0.02 2.91 4.81 -1.26 -2.55 118.16 129.48 2diy n LYS 103 Ca -0.05 0.77 -0.03 0.00 -0.87 0.00 0.00 58.31 58.12 2diy n LYS 103 Cb 0.50 -2.55 -0.03 0.00 0.02 0.00 0.00 35.03 32.97 2diy n LYS 103 CO 0.00 0.00 0.00 0.44 1.17 0.00 0.00 177.40 179.01 2diy n ILE 104 N 3.72 0.30 -4.13 3.15 -5.35 -1.08 -4.93 119.36 111.04 2diy n ILE 104 Ca 0.18 -0.16 -0.12 0.00 -0.27 0.00 0.00 62.75 62.39 2diy n ILE 104 Cb 0.29 -0.81 -0.08 0.00 -1.74 0.00 0.00 39.64 37.30 2diy n ILE 104 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2diy s ASP 105 N -3.95 0.24 -0.16 7.28 2.15 -1.25 -5.09 116.67 115.90 2diy s ASP 105 Ca -0.04 -1.27 -0.28 0.00 0.43 0.00 0.00 52.55 51.38 2diy s ASP 105 Cb 0.02 0.49 0.07 0.00 -0.30 0.00 0.00 42.92 43.19 2diy s ASP 105 CO 0.15 -1.00 0.72 -0.60 -0.17 0.00 0.00 175.17 174.27 2diy s ARG 106 N -3.96 0.93 -0.16 4.34 3.52 -1.26 -2.40 118.95 119.97 2diy s ARG 106 Ca 0.33 0.60 0.00 0.00 -0.13 0.00 0.00 55.73 56.54 2diy s ARG 106 Cb 0.03 0.45 0.03 0.00 -1.56 0.00 0.00 34.95 33.90 2diy s ARG 106 CO 0.13 -0.21 -0.11 -1.17 -0.81 0.00 0.00 175.30 173.12 2diy s LEU 107 N -0.43 1.73 -0.13 -0.88 0.20 -1.05 -5.02 118.68 113.11 2diy s LEU 107 Ca -0.05 -0.57 -0.06 0.00 0.69 0.00 0.00 54.13 54.14 2diy s LEU 107 Cb -0.02 -1.11 -0.04 0.00 -0.43 0.00 0.00 46.19 44.59 2diy s LEU 107 CO 0.05 -0.10 0.08 -0.62 -0.29 0.00 0.00 176.35 175.47 2diy s ASP 108 N 1.52 5.85 0.00 3.68 -1.08 -1.26 -2.07 116.67 123.31 2diy s ASP 108 Ca 0.03 0.27 0.00 0.00 -0.52 0.00 0.00 52.55 52.33 2diy s ASP 108 Cb -0.14 -1.86 0.00 0.00 -1.46 0.00 0.00 42.92 39.46 2diy s ASP 108 CO -0.09 0.33 0.00 0.61 0.52 0.00 0.00 175.17 176.54 2diy n GLY 109 N 2.46 0.36 3.55 2.66 0.00 -1.24 -4.85 105.19 108.14 2diy n GLY 109 Ca -0.19 -1.43 -0.33 0.00 0.00 0.00 0.00 46.02 44.07 2diy n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2diy s ALA 110 N -1.35 1.78 -0.23 4.61 0.00 -1.26 -4.90 121.76 120.41 2diy s ALA 110 Ca 0.00 -0.63 0.02 0.00 0.00 0.00 0.00 51.96 51.35 2diy s ALA 110 Cb 0.00 -4.39 0.05 0.00 0.00 0.00 0.00 23.12 18.78 2diy s ALA 110 CO 0.00 -4.43 -0.13 -1.01 0.00 0.00 0.00 175.76 170.19 2diy s HIS 111 N 10.72 2.93 -0.00 0.00 3.76 -1.26 -5.02 115.29 126.42 2diy s HIS 111 Ca 0.79 -1.98 -0.24 0.00 -0.15 0.00 0.00 55.06 53.48 2diy s HIS 111 Cb -0.13 -1.86 -0.14 0.00 1.11 0.00 0.00 32.58 31.57 2diy s HIS 111 CO 0.17 -0.83 1.04 0.00 -0.85 0.00 0.00 174.74 174.27 2diy h ALA 112 N 7.86 -0.69 0.06 -1.40 0.00 -1.99 -2.62 119.26 120.49 2diy h ALA 112 Ca -0.28 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 2diy h ALA 112 Cb 1.08 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.14 2diy h ALA 112 CO 0.51 -0.70 -0.03 -1.00 0.00 0.00 0.00 179.25 178.03 2diy h PRO 113 N -1.08 -0.08 -0.78 0.00 0.13 -2.01 -3.19 132.00 124.99 2diy h PRO 113 Ca -0.07 0.01 0.17 0.00 -0.87 0.00 0.00 66.00 65.23 2diy h PRO 113 Cb 0.60 0.02 -0.11 0.00 0.13 0.00 0.00 31.00 31.64 2diy h PRO 113 CO 0.12 0.37 0.26 1.49 -0.23 0.00 0.00 178.00 180.01 2diy h GLU 114 N -0.57 0.34 0.24 0.86 4.57 -1.99 -1.82 114.58 116.21 2diy h GLU 114 Ca -0.01 -0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.16 2diy h GLU 114 Cb 0.49 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.97 2diy h GLU 114 CO 0.01 0.23 -0.45 1.25 -1.18 0.00 0.00 179.01 178.86 2diy h LEU 115 N 0.35 -1.31 -0.81 1.64 5.85 -1.50 -2.14 115.31 117.40 2diy h LEU 115 Ca 0.45 0.13 0.18 0.00 0.84 0.00 0.00 57.88 59.47 2diy h LEU 115 Cb 0.76 0.47 -0.11 0.00 0.37 0.00 0.00 40.66 42.15 2diy h LEU 115 CO -0.48 -0.55 0.29 0.74 -0.34 0.00 0.00 178.44 178.10 2diy h THR 116 N -0.77 0.54 -0.21 1.05 2.02 -1.34 0.03 112.91 114.23 2diy h THR 116 Ca -0.01 -0.13 0.03 0.00 0.77 0.00 0.00 66.41 67.07 2diy h THR 116 Cb 0.75 0.13 -0.06 0.00 -1.74 0.00 0.00 68.15 67.23 2diy h THR 116 CO -0.19 0.07 -0.45 0.11 0.37 0.00 0.00 175.52 175.43 2diy h LYS 117 N 0.37 -0.40 -0.55 6.66 1.79 -0.76 0.29 116.57 123.97 2diy h LYS 117 Ca 0.47 0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.96 2diy h LYS 117 Cb 0.81 0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 31.53 2diy h LYS 117 CO -0.49 -0.27 0.31 0.87 -1.08 0.00 0.00 179.45 178.80 2diy h LYS 118 N -0.42 0.77 -0.76 3.15 1.57 -1.17 -2.17 116.57 117.54 2diy h LYS 118 Ca 0.04 -0.08 0.13 0.00 -1.87 0.00 0.00 60.65 58.86 2diy h LYS 118 Cb 0.53 -0.15 -0.09 0.00 0.08 0.00 0.00 32.23 32.60 2diy h LYS 118 CO -0.42 0.58 0.35 0.28 -0.57 0.00 0.00 179.45 179.67 2diy h VAL 119 N 0.74 0.73 -0.10 0.50 2.07 -0.22 0.28 116.25 120.25 2diy h VAL 119 Ca 0.20 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.52 2diy h VAL 119 Cb 0.03 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 29.95 2diy h VAL 119 CO -0.03 0.10 -0.00 1.56 0.02 0.00 0.00 177.57 179.21 2diy h GLN 120 N 0.53 0.18 0.92 1.57 4.20 -0.10 0.60 115.11 123.01 2diy h GLN 120 Ca 0.41 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 59.01 2diy h GLN 120 Cb 0.56 -0.02 0.01 0.00 0.30 0.00 0.00 27.48 28.33 2diy h GLN 120 CO -0.36 0.44 -0.44 -0.09 -0.67 0.00 0.00 178.83 177.72 2diy h ARG 121 N -0.10 -1.19 -0.72 1.46 2.43 -0.73 -3.07 114.38 112.47 2diy h ARG 121 Ca 0.03 0.08 -0.05 0.00 -0.81 0.00 0.00 59.98 59.23 2diy h ARG 121 Cb 0.36 0.27 -0.03 0.00 -0.42 0.00 0.00 29.97 30.15 2diy h ARG 121 CO 0.01 -0.79 0.25 0.45 -1.51 0.00 0.00 179.97 178.38 2diy h HIS 122 N -1.25 1.10 -0.71 2.20 3.86 -0.54 -2.95 115.15 116.87 2diy h HIS 122 Ca -0.13 -0.09 0.30 0.00 -1.16 0.00 0.00 60.37 59.29 2diy h HIS 122 Cb 0.95 -0.33 -0.13 0.00 1.06 0.00 0.00 27.41 28.96 2diy h HIS 122 CO -0.01 0.86 0.39 0.00 0.86 0.00 0.00 177.93 180.03 2diy n ALA 123 N -2.45 0.73 -1.04 2.45 0.00 0.21 -4.45 120.51 115.97 2diy n ALA 123 Ca 0.06 0.72 -0.50 0.00 0.00 0.00 0.00 53.44 53.72 2diy n ALA 123 Cb 0.20 -0.72 -0.10 0.00 0.00 0.00 0.00 19.45 18.83 2diy n ALA 123 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2diy n SER 124 N -4.59 0.63 0.16 0.00 3.41 -1.12 -4.68 113.62 107.43 2diy n SER 124 Ca 0.27 0.57 0.08 0.00 -0.26 0.00 0.00 58.87 59.53 2diy n SER 124 Cb 0.91 -0.74 0.43 0.00 -0.26 0.00 0.00 64.21 64.55 2diy n SER 124 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2diy n SER 125 N 6.14 0.41 0.00 4.04 3.41 -1.26 -4.71 113.62 121.66 2diy n SER 125 Ca 0.45 0.63 0.00 0.00 -0.26 0.00 0.00 58.87 59.69 2diy n SER 125 Cb -0.03 -0.62 0.00 0.00 -0.26 0.00 0.00 64.21 63.29 2diy n SER 125 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2diy n GLY 126 N -1.29 4.53 0.24 5.00 0.00 -1.26 -4.85 105.19 107.57 2diy n GLY 126 Ca -0.01 -1.13 -0.10 0.00 0.00 0.00 0.00 46.02 44.78 2diy n GLY 126 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2diy h PRO 127 N 0.00 0.72 -6.31 1.61 0.13 -1.99 -3.45 132.00 122.71 2diy h PRO 127 Ca 0.00 -0.38 -0.60 0.00 -0.87 0.00 0.00 66.00 64.15 2diy h PRO 127 Cb 0.00 0.01 -0.10 0.00 0.13 0.00 0.00 31.00 31.04 2diy h PRO 127 CO 0.00 1.00 -0.64 -1.54 -0.23 0.00 0.00 178.00 176.59 2diy s SER 128 N -6.86 4.94 -1.11 1.44 1.04 -1.26 -5.05 113.70 106.84 2diy s SER 128 Ca -0.09 -0.32 -0.20 0.00 0.48 0.00 0.00 55.95 55.82 2diy s SER 128 Cb 0.12 -1.11 0.08 0.00 0.10 0.00 0.00 66.02 65.20 2diy s SER 128 CO 0.85 0.10 1.49 -0.94 0.98 0.00 0.00 173.24 175.71 2diy s SER 129 N -2.89 6.68 0.00 7.02 1.04 -1.26 -4.71 113.70 119.58 2diy s SER 129 Ca 0.28 -1.99 0.00 0.00 0.48 0.00 0.00 55.95 54.72 2diy s SER 129 Cb -0.10 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.49 2diy s SER 129 CO 0.19 -1.27 0.00 0.61 0.98 0.00 0.00 173.24 173.76