#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 5.62 -0.02 1.61 0.15 -1.26 -5.07 113.70 114.74 2diy s SER 2 Ca 0.00 -0.72 -0.01 0.00 0.70 0.00 0.00 55.95 55.92 2diy s SER 2 Cb 0.00 -2.01 0.01 0.00 -1.71 0.00 0.00 66.02 62.31 2diy s SER 2 CO 0.00 -0.27 0.04 -0.55 1.20 0.00 0.00 173.24 173.65 2diy s SER 3 N 1.59 -0.02 0.34 5.45 0.15 -1.26 -5.13 113.70 114.82 2diy s SER 3 Ca 0.03 0.07 -0.29 0.00 0.70 0.00 0.00 55.95 56.46 2diy s SER 3 Cb -0.18 0.04 -0.11 0.00 -1.71 0.00 0.00 66.02 64.06 2diy s SER 3 CO 0.06 -0.04 1.54 0.61 1.20 0.00 0.00 173.24 176.61 2diy n GLY 4 N 3.33 1.27 2.75 9.45 0.00 -1.26 -5.01 105.19 115.71 2diy n GLY 4 Ca -0.16 0.37 -0.17 0.00 0.00 0.00 0.00 46.02 46.07 2diy n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2diy s SER 5 N 0.14 0.41 -0.30 1.61 1.04 -1.26 -5.11 113.70 110.23 2diy s SER 5 Ca 0.58 0.04 -0.06 0.00 0.48 0.00 0.00 55.95 57.00 2diy s SER 5 Cb -0.48 -0.10 0.19 0.00 0.10 0.00 0.00 66.02 65.72 2diy s SER 5 CO 0.57 -0.16 0.83 -0.44 0.98 0.00 0.00 173.24 175.02 2diy s SER 6 N 1.39 -0.95 -0.31 7.02 0.01 -1.26 -5.06 113.70 114.53 2diy s SER 6 Ca -0.05 0.41 0.18 0.00 1.31 0.00 0.00 55.95 57.80 2diy s SER 6 Cb -0.13 1.73 0.46 0.00 0.21 0.00 0.00 66.02 68.29 2diy s SER 6 CO -0.03 -0.18 1.09 0.61 0.41 0.00 0.00 173.24 175.14 2diy n GLY 7 N 5.39 1.60 3.74 3.44 0.00 -1.26 -5.10 105.19 113.01 2diy n GLY 7 Ca -0.00 -0.99 -0.39 0.00 0.00 0.00 0.00 46.02 44.63 2diy n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2diy s MET 8 N -2.66 4.36 -1.30 1.61 0.00 -1.26 -4.99 119.30 115.06 2diy s MET 8 Ca 0.25 0.75 -0.17 0.00 0.00 0.00 0.00 55.69 56.52 2diy s MET 8 Cb 0.41 -3.38 0.09 0.00 0.00 0.00 0.00 34.83 31.95 2diy s MET 8 CO -0.01 0.26 1.74 0.00 0.00 0.00 0.00 175.02 177.01 2diy n ALA 9 N 3.13 3.84 -1.53 3.16 0.00 -1.26 -4.75 120.51 123.09 2diy n ALA 9 Ca -0.05 -3.93 -0.32 0.00 0.00 0.00 0.00 53.44 49.13 2diy n ALA 9 Cb 0.51 -3.50 0.06 0.00 0.00 0.00 0.00 19.45 16.53 2diy n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2diy n ALA 10 N 7.61 6.01 -3.60 0.00 0.00 -1.26 -4.90 120.51 124.36 2diy n ALA 10 Ca 0.47 -3.58 -0.40 0.00 0.00 0.00 0.00 53.44 49.93 2diy n ALA 10 Cb 0.45 -1.40 -0.09 0.00 0.00 0.00 0.00 19.45 18.40 2diy n ALA 10 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2diy s GLY 11 N -2.27 2.18 -0.34 0.00 0.00 -1.26 -5.04 107.32 100.58 2diy s GLY 11 Ca 0.61 -2.75 -0.07 0.00 0.00 0.00 0.00 44.72 42.51 2diy s GLY 11 CO -0.01 1.11 0.12 0.00 0.00 0.00 0.00 173.10 174.32 2diy s ALA 12 N 0.94 3.09 0.32 3.20 0.00 -1.26 -5.07 121.76 122.99 2diy s ALA 12 Ca 0.09 -1.70 0.04 0.00 0.00 0.00 0.00 51.96 50.39 2diy s ALA 12 Cb -0.23 -2.32 -0.03 0.00 0.00 0.00 0.00 23.12 20.54 2diy s ALA 12 CO -0.03 -1.29 0.17 0.00 0.00 0.00 0.00 175.76 174.61 2diy s ALA 13 N 1.44 2.12 -0.38 0.00 0.00 -1.26 -5.13 121.76 118.56 2diy s ALA 13 Ca -0.00 -1.71 0.02 0.00 0.00 0.00 0.00 51.96 50.27 2diy s ALA 13 Cb -0.19 1.11 0.11 0.00 0.00 0.00 0.00 23.12 24.15 2diy s ALA 13 CO 0.04 -0.49 0.11 -2.00 0.00 0.00 0.00 175.76 173.41 2diy s GLU 14 N -3.76 1.66 -0.21 0.00 2.12 -1.26 -5.09 118.70 112.17 2diy s GLU 14 Ca 0.34 -1.95 -0.08 0.00 0.36 0.00 0.00 54.97 53.64 2diy s GLU 14 Cb 0.04 -3.31 -0.04 0.00 0.26 0.00 0.00 34.13 31.08 2diy s GLU 14 CO 0.18 -0.99 0.08 0.00 -0.54 0.00 0.00 175.26 174.00 2diy s ALA 15 N 0.82 3.39 0.29 6.30 0.00 -1.26 -5.08 121.76 126.24 2diy s ALA 15 Ca 0.11 -0.85 -0.15 0.00 0.00 0.00 0.00 51.96 51.07 2diy s ALA 15 Cb -0.20 -2.03 0.02 0.00 0.00 0.00 0.00 23.12 20.90 2diy s ALA 15 CO -0.06 -0.03 0.61 0.00 0.00 0.00 0.00 175.76 176.27 2diy s ALA 16 N 0.77 -0.51 -0.12 0.00 0.00 -1.26 -5.16 121.76 115.47 2diy s ALA 16 Ca 0.04 -0.76 -0.01 0.00 0.00 0.00 0.00 51.96 51.23 2diy s ALA 16 Cb -0.13 0.94 -0.03 0.00 0.00 0.00 0.00 23.12 23.90 2diy s ALA 16 CO 0.02 -0.93 -0.06 0.08 0.00 0.00 0.00 175.76 174.87 2diy s VAL 17 N -3.55 3.68 -0.77 0.00 1.01 -1.26 -5.02 120.40 114.49 2diy s VAL 17 Ca 0.19 -0.45 -0.01 0.00 0.00 0.00 0.00 61.98 61.70 2diy s VAL 17 Cb -0.03 -2.57 0.37 0.00 0.00 0.00 0.00 36.38 34.16 2diy s VAL 17 CO 0.10 0.54 1.91 0.00 0.00 0.00 0.00 175.10 177.65 2diy n ALA 18 N 3.06 6.31 -2.58 5.51 0.00 -1.26 -4.98 120.51 126.57 2diy n ALA 18 Ca -0.18 -4.04 -0.28 0.00 0.00 0.00 0.00 53.44 48.94 2diy n ALA 18 Cb 0.53 -1.77 -0.09 0.00 0.00 0.00 0.00 19.45 18.11 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 -3.97 2.98 -0.18 0.00 0.00 -1.26 -3.96 121.76 115.37 2diy s ALA 19 Ca 0.53 -1.39 -0.29 0.00 0.00 0.00 0.00 51.96 50.81 2diy s ALA 19 Cb 0.45 -0.82 -0.00 0.00 0.00 0.00 0.00 23.12 22.75 2diy s ALA 19 CO -0.33 0.52 1.06 0.08 0.00 0.00 0.00 175.76 177.10 2diy s VAL 20 N -1.55 4.65 0.39 0.00 1.01 -1.26 -4.84 120.40 118.79 2diy s VAL 20 Ca 0.24 1.96 -0.24 0.00 0.00 0.00 0.00 61.98 63.94 2diy s VAL 20 Cb -0.10 -4.26 -0.09 0.00 0.00 0.00 0.00 36.38 31.93 2diy s VAL 20 CO 0.15 -0.11 1.03 -1.61 0.00 0.00 0.00 175.10 174.56 2diy s GLU 21 N 2.81 4.24 -0.25 2.72 0.41 -1.15 -4.88 118.70 122.60 2diy s GLU 21 Ca 0.47 1.47 -0.10 0.00 -0.41 0.00 0.00 54.97 56.40 2diy s GLU 21 Cb -0.17 -2.57 -0.05 0.00 -1.78 0.00 0.00 34.13 29.56 2diy s GLU 21 CO 0.11 -0.07 0.16 -1.83 -0.49 0.00 0.00 175.26 173.14 2diy s GLU 22 N -2.44 3.97 -0.30 1.61 1.03 -1.26 -2.68 118.70 118.62 2diy s GLU 22 Ca 0.57 -0.32 -0.23 0.00 0.03 0.00 0.00 54.97 55.01 2diy s GLU 22 Cb -0.21 -3.54 -0.00 0.00 -0.80 0.00 0.00 34.13 29.58 2diy s GLU 22 CO 0.27 -0.05 0.78 0.08 -1.33 0.00 0.00 175.26 175.00 2diy s VAL 23 N 1.37 4.80 0.06 1.83 1.01 -1.18 -4.93 120.40 123.36 2diy s VAL 23 Ca 0.07 1.19 0.05 0.00 0.00 0.00 0.00 61.98 63.29 2diy s VAL 23 Cb -0.15 -4.14 -0.24 0.00 0.00 0.00 0.00 36.38 31.86 2diy s VAL 23 CO 0.07 -0.23 1.04 1.23 0.00 0.00 0.00 175.10 177.21 2diy h GLY 24 N 9.43 0.10 -2.04 4.51 0.00 -1.97 -3.43 103.07 109.67 2diy h GLY 24 Ca -0.24 -0.25 0.05 0.00 0.00 0.00 0.00 47.33 46.89 2diy h GLY 24 CO 0.88 0.22 0.18 -1.35 0.00 0.00 0.00 176.54 176.47 2diy s SER 25 N -6.69 -0.24 0.13 0.19 1.04 -1.26 -4.67 113.70 102.21 2diy s SER 25 Ca -0.03 -0.65 -0.22 0.00 0.48 0.00 0.00 55.95 55.53 2diy s SER 25 Cb 0.09 0.71 -0.01 0.00 0.10 0.00 0.00 66.02 66.90 2diy s SER 25 CO 0.84 -1.32 1.66 0.00 0.98 0.00 0.00 173.24 175.40 2diy h ALA 26 N 2.04 -0.07 -0.80 5.32 0.00 -1.94 -2.73 119.26 121.09 2diy h ALA 26 Ca -0.20 0.06 0.12 0.00 0.00 0.00 0.00 54.91 54.88 2diy h ALA 26 Cb 1.25 0.33 -0.12 0.00 0.00 0.00 0.00 17.79 19.25 2diy h ALA 26 CO 0.25 -0.60 -0.33 0.41 0.00 0.00 0.00 179.25 178.97 2diy n GLY 27 N -1.31 -1.70 0.44 0.00 0.00 -1.26 -0.47 105.19 100.90 2diy n GLY 27 Ca -0.03 0.90 -0.17 0.00 0.00 0.00 0.00 46.02 46.72 2diy n GLY 27 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2diy h GLN 28 N 0.00 -0.87 -0.21 1.61 4.15 -1.91 -1.47 115.11 116.42 2diy h GLN 28 Ca 0.26 0.06 0.03 0.00 0.77 0.00 0.00 58.65 59.77 2diy h GLN 28 Cb 0.46 0.20 -0.06 0.00 0.21 0.00 0.00 27.48 28.29 2diy h GLN 28 CO -0.78 -0.58 -0.43 0.35 -1.93 0.00 0.00 178.83 175.46 2diy h PHE 29 N -0.90 -1.29 -1.03 3.99 3.57 -0.69 0.12 116.94 120.70 2diy h PHE 29 Ca -0.05 0.06 0.29 0.00 3.53 0.00 0.00 57.97 61.79 2diy h PHE 29 Cb 0.78 0.59 -0.13 0.00 2.79 0.00 0.00 35.95 39.99 2diy h PHE 29 CO -0.21 -0.40 0.62 0.93 -2.23 0.00 0.00 178.31 177.02 2diy h GLU 30 N -0.38 0.42 -0.41 1.11 5.08 -0.95 0.32 114.58 119.78 2diy h GLU 30 Ca 0.04 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 2diy h GLU 30 Cb 0.49 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2diy h GLU 30 CO -0.40 0.28 -0.02 1.49 -1.00 0.00 0.00 179.01 179.36 2diy h GLU 31 N 0.44 0.74 -0.38 2.33 4.57 0.20 -2.99 114.58 119.49 2diy h GLU 31 Ca 0.67 -0.25 -0.08 0.00 -1.18 0.00 0.00 59.36 58.53 2diy h GLU 31 Cb 1.50 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 30.01 2diy h GLU 31 CO -0.48 0.84 -0.09 1.25 -1.18 0.00 0.00 179.01 179.35 2diy h LEU 32 N 0.57 0.64 -1.18 1.64 5.85 0.19 -2.77 115.31 120.24 2diy h LEU 32 Ca 0.11 -0.17 0.23 0.00 0.84 0.00 0.00 57.88 58.89 2diy h LEU 32 Cb 0.52 -0.17 -0.10 0.00 0.37 0.00 0.00 40.66 41.28 2diy h LEU 32 CO 0.03 0.77 0.62 -0.07 -0.34 0.00 0.00 178.44 179.45 2diy h LEU 33 N 0.60 0.61 0.26 2.25 3.38 -0.76 0.35 115.31 122.01 2diy h LEU 33 Ca 0.11 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 2diy h LEU 33 Cb 0.52 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2diy h LEU 33 CO 0.03 0.17 -0.12 0.03 0.09 0.00 0.00 178.44 178.64 2diy h ARG 34 N 0.57 -0.34 -0.17 1.13 3.08 -1.53 -2.94 114.38 114.18 2diy h ARG 34 Ca 0.58 0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.70 2diy h ARG 34 Cb 1.18 0.08 -0.07 0.00 0.08 0.00 0.00 29.97 31.24 2diy h ARG 34 CO -0.35 -0.22 -0.38 -0.07 -1.07 0.00 0.00 179.97 177.88 2diy h LEU 35 N -1.00 -1.20 -3.45 3.04 -0.00 -1.35 -0.60 115.31 110.75 2diy h LEU 35 Ca -0.04 0.17 -0.24 0.00 -0.00 0.00 0.00 57.88 57.77 2diy h LEU 35 Cb 0.27 0.51 -0.10 0.00 -0.00 0.00 0.00 40.66 41.33 2diy h LEU 35 CO 0.06 -0.39 0.27 0.29 -0.00 0.00 0.00 178.44 178.67 2diy n LYS 36 N -5.43 1.64 -0.03 1.13 4.76 0.12 -4.36 118.16 115.99 2diy n LYS 36 Ca -0.03 -1.18 -0.15 0.00 -2.87 0.00 0.00 58.31 54.08 2diy n LYS 36 Cb 0.35 -1.50 -0.12 0.00 -1.84 0.00 0.00 35.03 31.92 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 1.52 0.02 -0.67 7.82 0.00 -0.90 -3.32 119.26 123.73 2diy h ALA 37 Ca 0.22 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 2diy h ALA 37 Cb 0.95 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 2diy h ALA 37 CO 0.54 0.07 0.27 0.87 0.00 0.00 0.00 179.25 181.00 2diy h LYS 38 N -0.55 1.00 -7.19 0.00 1.57 -1.80 -2.80 116.57 106.80 2diy h LYS 38 Ca -0.03 -0.18 -0.49 0.00 -1.87 0.00 0.00 60.65 58.07 2diy h LYS 38 Cb 1.01 -0.16 0.04 0.00 0.08 0.00 0.00 32.23 33.19 2diy h LYS 38 CO 0.05 0.84 0.33 -1.12 -0.57 0.00 0.00 179.45 178.97 2diy s SER 39 N -6.19 6.39 -0.25 0.86 0.01 -1.25 -4.93 113.70 108.34 2diy s SER 39 Ca -0.13 1.36 -0.29 0.00 1.31 0.00 0.00 55.95 58.21 2diy s SER 39 Cb 0.14 -2.43 0.01 0.00 0.21 0.00 0.00 66.02 63.94 2diy s SER 39 CO 0.81 -0.68 1.13 -0.22 0.41 0.00 0.00 173.24 174.68 2diy s LEU 40 N -4.61 4.04 -0.11 2.44 2.96 -1.26 -4.76 118.68 117.38 2diy s LEU 40 Ca 0.55 1.32 -0.10 0.00 -0.22 0.00 0.00 54.13 55.68 2diy s LEU 40 Cb -0.10 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.00 2diy s LEU 40 CO 0.43 -0.80 0.22 -0.22 -1.32 0.00 0.00 176.35 174.66 2diy s LEU 41 N 3.54 4.37 -0.31 -0.68 2.96 -1.20 -0.24 118.68 127.12 2diy s LEU 41 Ca 0.48 0.56 0.02 0.00 -0.22 0.00 0.00 54.13 54.98 2diy s LEU 41 Cb -0.16 -2.24 0.09 0.00 0.50 0.00 0.00 46.19 44.39 2diy s LEU 41 CO 0.13 0.32 0.02 -0.69 -1.32 0.00 0.00 176.35 174.80 2diy s VAL 42 N -0.65 1.88 -0.68 1.68 1.01 0.11 -2.07 120.40 121.68 2diy s VAL 42 Ca 0.16 -1.89 -0.21 0.00 0.00 0.00 0.00 61.98 60.04 2diy s VAL 42 Cb -0.13 -2.30 0.09 0.00 0.00 0.00 0.00 36.38 34.04 2diy s VAL 42 CO 0.05 -0.45 0.94 -0.69 0.00 0.00 0.00 175.10 174.95 2diy s VAL 43 N 1.14 4.47 0.13 2.92 1.01 -0.79 -0.88 120.40 128.41 2diy s VAL 43 Ca 0.05 -0.65 -0.14 0.00 0.00 0.00 0.00 61.98 61.24 2diy s VAL 43 Cb -0.19 -4.66 -0.07 0.00 0.00 0.00 0.00 36.38 31.47 2diy s VAL 43 CO -0.10 -1.40 0.52 -2.28 0.00 0.00 0.00 175.10 171.84 2diy s HIS 44 N 3.61 3.62 -0.34 5.22 5.65 0.23 -1.06 115.29 132.22 2diy s HIS 44 Ca 0.21 1.03 -0.09 0.00 0.25 0.00 0.00 55.06 56.46 2diy s HIS 44 Cb -0.17 -2.34 0.03 0.00 -1.18 0.00 0.00 32.58 28.92 2diy s HIS 44 CO 0.07 0.46 0.15 -0.06 -0.65 0.00 0.00 174.74 174.70 2diy s PHE 45 N -1.42 3.23 0.08 3.88 0.40 -0.33 -0.44 117.98 123.37 2diy s PHE 45 Ca 0.36 -1.11 0.05 0.00 -0.60 0.00 0.00 56.93 55.64 2diy s PHE 45 Cb -0.15 -2.35 -0.04 0.00 0.51 0.00 0.00 43.02 40.99 2diy s PHE 45 CO 0.19 -0.65 -0.03 1.67 0.70 0.00 0.00 175.22 177.09 2diy s TRP 46 N 1.49 2.92 0.01 0.36 1.48 -1.03 -3.89 118.94 120.28 2diy s TRP 46 Ca 0.01 -0.05 0.01 0.00 -1.06 0.00 0.00 56.10 55.01 2diy s TRP 46 Cb -0.19 -1.53 -0.01 0.00 -1.16 0.00 0.00 33.47 30.58 2diy s TRP 46 CO 0.05 0.45 -0.05 0.00 -4.06 0.00 0.00 176.95 173.34 2diy s ALA 47 N -1.24 0.35 0.16 2.67 0.00 -1.26 -3.77 121.76 118.68 2diy s ALA 47 Ca 0.23 -0.38 0.30 0.00 0.00 0.00 0.00 51.96 52.11 2diy s ALA 47 Cb -0.11 -0.01 1.27 0.00 0.00 0.00 0.00 23.12 24.26 2diy s ALA 47 CO 0.15 0.02 1.96 -1.00 0.00 0.00 0.00 175.76 176.89 2diy h PRO 48 N 5.43 0.00 0.00 0.00 0.13 -2.01 -3.31 132.00 132.24 2diy h PRO 48 Ca -0.30 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.77 2diy h PRO 48 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2diy h PRO 48 CO 0.46 0.09 -0.75 -2.67 -0.23 0.00 0.00 178.00 174.90 2diy n TRP 49 N -3.24 0.84 -1.66 1.56 4.27 -1.26 -4.86 117.44 113.09 2diy n TRP 49 Ca 0.00 0.37 -0.42 0.00 -3.89 0.00 0.00 57.50 53.55 2diy n TRP 49 Cb 0.33 -0.82 -0.03 0.00 -1.36 0.00 0.00 31.31 29.43 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 -2.67 3.26 0.05 -1.67 0.00 -1.25 -4.88 121.76 114.59 2diy s ALA 50 Ca -0.19 1.10 -0.20 0.00 0.00 0.00 0.00 51.96 52.67 2diy s ALA 50 Cb 0.03 -3.93 -0.14 0.00 0.00 0.00 0.00 23.12 19.08 2diy s ALA 50 CO 0.31 -2.04 1.35 -1.00 0.00 0.00 0.00 175.76 174.39 2diy h PRO 51 N 12.26 0.39 -0.94 0.00 0.13 -1.89 -3.25 132.00 138.70 2diy h PRO 51 Ca -0.46 -0.20 0.23 0.00 -0.87 0.00 0.00 66.00 64.70 2diy h PRO 51 Cb 1.24 0.01 -0.18 0.00 0.13 0.00 0.00 31.00 32.20 2diy h PRO 51 CO 0.95 0.76 -0.09 1.04 -0.23 0.00 0.00 178.00 180.43 2diy n GLN 52 N -4.53 -0.08 -0.24 0.86 3.00 -1.26 0.50 117.38 115.63 2diy n GLN 52 Ca -0.06 1.43 -0.00 0.00 -0.01 0.00 0.00 57.00 58.36 2diy n GLN 52 Cb 0.37 -2.22 0.07 0.00 0.00 0.00 0.00 30.24 28.46 2diy n GLN 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2diy n ALA 54 N -3.18 -0.23 -0.38 0.00 0.00 0.18 -0.35 120.51 116.56 2diy n ALA 54 Ca 0.08 0.30 0.01 0.00 0.00 0.00 0.00 53.44 53.84 2diy n ALA 54 Cb 0.36 0.22 0.07 0.00 0.00 0.00 0.00 19.45 20.10 2diy n ALA 54 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2diy n GLN 55 N -3.79 -0.19 -0.01 0.00 1.13 -0.85 -0.15 117.38 113.51 2diy n GLN 55 Ca 0.01 1.54 -0.09 0.00 -1.94 0.00 0.00 57.00 56.52 2diy n GLN 55 Cb 0.09 -2.30 -0.03 0.00 0.11 0.00 0.00 30.24 28.12 2diy n GLN 55 CO 0.00 0.00 0.00 0.52 -1.44 0.00 0.00 177.06 176.14 2diy h MET 56 N 0.00 -0.27 -0.99 -1.09 2.86 -0.67 -1.93 114.93 112.84 2diy h MET 56 Ca 0.38 0.02 0.16 0.00 -2.06 0.00 0.00 59.70 58.21 2diy h MET 56 Cb 0.63 0.06 -0.17 0.00 0.06 0.00 0.00 31.60 32.19 2diy h MET 56 CO -1.00 -0.18 -0.36 0.09 1.06 0.00 0.00 176.91 176.52 2diy n ASN 57 N -5.36 -0.58 -0.28 1.22 4.13 0.79 0.78 115.26 115.95 2diy n ASN 57 Ca -0.02 1.72 -0.06 0.00 1.68 0.00 0.00 54.58 57.90 2diy n ASN 57 Cb 0.28 -0.42 0.06 0.00 -1.54 0.00 0.00 39.78 38.16 2diy n ASN 57 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 2diy h GLU 58 N 0.00 1.09 0.05 3.52 5.08 -1.16 -1.48 114.58 121.68 2diy h GLU 58 Ca 0.37 -0.16 0.02 0.00 -1.00 0.00 0.00 59.36 58.60 2diy h GLU 58 Cb 0.62 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 2diy h GLU 58 CO -0.99 0.84 -0.19 0.28 -1.00 0.00 0.00 179.01 177.96 2diy h VAL 59 N 1.07 0.56 -0.21 3.13 2.07 0.11 -2.65 116.25 120.33 2diy h VAL 59 Ca 0.26 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.78 2diy h VAL 59 Cb 0.11 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 2diy h VAL 59 CO -0.03 0.00 0.12 0.24 0.02 0.00 0.00 177.57 177.92 2diy h MET 60 N -0.33 0.29 -0.86 1.57 2.86 -0.84 -1.89 114.93 115.73 2diy h MET 60 Ca 0.04 -0.03 0.15 0.00 -2.06 0.00 0.00 59.70 57.80 2diy h MET 60 Cb 0.38 -0.06 -0.15 0.00 0.06 0.00 0.00 31.60 31.83 2diy h MET 60 CO -0.14 0.25 -0.32 0.00 1.06 0.00 0.00 176.91 177.76 2diy h ALA 61 N 1.03 0.26 0.41 6.32 0.00 -1.01 0.20 119.26 126.48 2diy h ALA 61 Ca 0.08 0.27 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 2diy h ALA 61 Cb 0.04 0.84 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2diy h ALA 61 CO -0.01 -0.55 -0.20 0.93 0.00 0.00 0.00 179.25 179.42 2diy h GLU 62 N -0.04 -0.53 -0.85 0.00 5.08 -1.32 -3.19 114.58 113.74 2diy h GLU 62 Ca 0.35 0.04 0.16 0.00 -1.00 0.00 0.00 59.36 58.91 2diy h GLU 62 Cb 0.60 0.12 -0.16 0.00 0.50 0.00 0.00 28.75 29.82 2diy h GLU 62 CO -0.89 -0.22 -0.24 -0.07 -1.00 0.00 0.00 179.01 176.59 2diy h LEU 63 N -0.91 -0.89 -0.87 1.33 3.38 -0.47 0.52 115.31 117.41 2diy h LEU 63 Ca -0.06 0.26 0.19 0.00 0.09 0.00 0.00 57.88 58.37 2diy h LEU 63 Cb 0.56 0.56 -0.11 0.00 0.09 0.00 0.00 40.66 41.75 2diy h LEU 63 CO 0.09 -0.29 0.38 0.00 0.09 0.00 0.00 178.44 178.72 2diy h ALA 64 N 1.74 1.34 -0.58 1.53 0.00 -0.66 0.31 119.26 122.94 2diy h ALA 64 Ca 0.39 0.14 -0.10 0.00 0.00 0.00 0.00 54.91 55.35 2diy h ALA 64 Cb 0.62 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2diy h ALA 64 CO -0.88 -0.27 -0.01 0.87 0.00 0.00 0.00 179.25 178.96 2diy h LYS 65 N 0.45 1.02 -0.32 0.00 1.57 0.03 -3.06 116.57 116.26 2diy h LYS 65 Ca 0.52 -0.32 -0.09 0.00 -1.87 0.00 0.00 60.65 58.89 2diy h LYS 65 Cb 0.91 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 2diy h LYS 65 CO -0.48 1.01 -0.14 1.49 -0.57 0.00 0.00 179.45 180.76 2diy h GLU 66 N 0.93 0.65 -3.93 3.15 4.57 0.14 -3.38 114.58 116.71 2diy h GLU 66 Ca 0.16 -0.28 -0.67 0.00 -1.18 0.00 0.00 59.36 57.40 2diy h GLU 66 Cb 0.56 -0.02 -0.38 0.00 -0.16 0.00 0.00 28.75 28.75 2diy h GLU 66 CO 0.03 0.86 -0.56 -0.51 -1.18 0.00 0.00 179.01 177.65 2diy s LEU 67 N -9.19 4.84 0.36 1.64 1.43 0.81 -4.94 118.68 113.63 2diy s LEU 67 Ca -0.13 -2.60 0.15 0.00 -1.03 0.00 0.00 54.13 50.52 2diy s LEU 67 Cb 0.09 -1.73 0.69 0.00 0.03 0.00 0.00 46.19 45.27 2diy s LEU 67 CO 0.80 -0.36 1.77 1.55 0.23 0.00 0.00 176.35 180.34 2diy h PRO 68 N 7.17 0.00 0.00 1.29 0.13 -1.74 -2.87 132.00 135.98 2diy h PRO 68 Ca -0.06 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.02 2diy h PRO 68 Cb 0.96 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.09 2diy h PRO 68 CO 0.66 0.41 -0.22 -0.56 -0.23 0.00 0.00 178.00 178.05 2diy h GLN 69 N 0.00 0.00 -7.08 0.86 -0.00 -1.92 -3.43 115.11 103.54 2diy h GLN 69 Ca -0.00 0.00 -0.45 0.00 -0.00 0.00 0.00 58.65 58.19 2diy h GLN 69 Cb 0.80 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.28 2diy h GLN 69 CO 0.05 0.22 0.36 0.08 -0.00 0.00 0.00 178.83 179.54 2diy s VAL 70 N -4.28 4.21 -0.32 1.86 1.01 -1.08 -4.32 120.40 117.47 2diy s VAL 70 Ca -0.03 1.34 -0.00 0.00 0.00 0.00 0.00 61.98 63.29 2diy s VAL 70 Cb 0.14 -3.56 0.07 0.00 0.00 0.00 0.00 36.38 33.03 2diy s VAL 70 CO 0.66 -0.33 0.02 -0.94 0.00 0.00 0.00 175.10 174.51 2diy s SER 71 N -2.20 4.84 -0.18 3.32 1.04 0.67 -4.97 113.70 116.23 2diy s SER 71 Ca 0.63 -1.56 -0.14 0.00 0.48 0.00 0.00 55.95 55.36 2diy s SER 71 Cb -0.11 -1.69 -0.04 0.00 0.10 0.00 0.00 66.02 64.27 2diy s SER 71 CO 0.17 -0.31 0.31 -0.36 0.98 0.00 0.00 173.24 174.03 2diy s PHE 72 N 1.15 3.43 -0.04 5.02 0.40 -1.26 0.06 117.98 126.73 2diy s PHE 72 Ca -0.01 0.57 -0.01 0.00 -0.60 0.00 0.00 56.93 56.87 2diy s PHE 72 Cb -0.20 -2.38 0.03 0.00 0.51 0.00 0.00 43.02 40.98 2diy s PHE 72 CO -0.03 0.17 0.04 0.14 0.70 0.00 0.00 175.22 176.23 2diy s VAL 73 N 0.71 0.03 -0.17 -0.44 -7.23 -0.06 -2.94 120.40 110.31 2diy s VAL 73 Ca 0.16 0.31 -0.08 0.00 -1.81 0.00 0.00 61.98 60.57 2diy s VAL 73 Cb -0.13 -0.24 -0.04 0.00 0.56 0.00 0.00 36.38 36.52 2diy s VAL 73 CO 0.05 0.19 0.09 -1.59 -0.31 0.00 0.00 175.10 173.53 2diy s LYS 74 N 1.93 3.92 -0.01 4.82 -2.85 -1.09 -0.60 119.74 125.85 2diy s LYS 74 Ca 0.02 -0.28 0.06 0.00 -1.00 0.00 0.00 55.97 54.78 2diy s LYS 74 Cb -0.12 -3.25 -0.02 0.00 -2.06 0.00 0.00 37.83 32.38 2diy s LYS 74 CO -0.03 0.38 -0.19 -1.17 0.10 0.00 0.00 175.35 174.43 2diy s LEU 75 N 0.10 2.04 -0.46 2.77 0.20 0.41 -3.09 118.68 120.65 2diy s LEU 75 Ca 0.07 -0.36 -0.25 0.00 0.69 0.00 0.00 54.13 54.28 2diy s LEU 75 Cb -0.12 -0.99 0.03 0.00 -0.43 0.00 0.00 46.19 44.68 2diy s LEU 75 CO 0.00 0.23 0.89 -0.70 -0.29 0.00 0.00 176.35 176.48 2diy s GLU 76 N -0.49 3.49 0.34 1.98 2.12 -1.26 -2.47 118.70 122.41 2diy s GLU 76 Ca 0.07 0.08 0.15 0.00 0.36 0.00 0.00 54.97 55.63 2diy s GLU 76 Cb -0.07 -3.93 1.11 0.00 0.26 0.00 0.00 34.13 31.49 2diy s GLU 76 CO -0.01 -1.20 1.63 0.00 -0.54 0.00 0.00 175.26 175.14 2diy h ALA 77 N 9.06 1.91 0.00 6.30 0.00 -1.86 1.02 119.26 135.69 2diy h ALA 77 Ca -0.24 0.23 -0.19 0.00 0.00 0.00 0.00 54.91 54.70 2diy h ALA 77 Cb 1.08 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 2diy h ALA 77 CO 1.01 -0.68 -1.07 0.93 0.00 0.00 0.00 179.25 179.45 2diy h GLU 78 N 0.20 0.00 0.19 0.00 4.39 -1.91 -3.34 114.58 114.11 2diy h GLU 78 Ca 0.74 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.43 2diy h GLU 78 Cb 1.77 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.42 2diy h GLU 78 CO -0.68 0.66 -0.09 0.78 -1.16 0.00 0.00 179.01 178.52 2diy h GLY 79 N 3.34 -0.27 -7.38 -3.84 0.00 0.49 -3.38 103.07 92.02 2diy h GLY 79 Ca -0.08 0.10 -0.71 0.00 0.00 0.00 0.00 47.33 46.64 2diy h GLY 79 CO 0.09 -0.10 -0.13 0.14 0.00 0.00 0.00 176.54 176.54 2diy s VAL 80 N -3.81 4.30 0.30 4.60 1.01 1.00 -4.89 120.40 122.91 2diy s VAL 80 Ca -0.13 -3.65 0.09 0.00 0.00 0.00 0.00 61.98 58.28 2diy s VAL 80 Cb 0.01 -3.69 0.03 0.00 0.00 0.00 0.00 36.38 32.73 2diy s VAL 80 CO 0.51 -1.05 1.69 1.55 0.00 0.00 0.00 175.10 177.80 2diy h PRO 81 N 6.26 0.13 -0.60 2.72 0.13 -1.76 -2.95 132.00 135.93 2diy h PRO 81 Ca 0.12 -0.07 0.11 0.00 -0.87 0.00 0.00 66.00 65.30 2diy h PRO 81 Cb 0.85 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.86 2diy h PRO 81 CO 0.83 0.58 -0.27 1.49 -0.23 0.00 0.00 178.00 180.40 2diy h GLU 82 N 0.11 -0.10 0.04 0.86 4.57 -1.92 0.10 114.58 118.24 2diy h GLU 82 Ca 0.00 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.19 2diy h GLU 82 Cb 0.88 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.49 2diy h GLU 82 CO 0.07 -0.07 -0.02 0.28 -1.18 0.00 0.00 179.01 178.09 2diy h VAL 83 N -0.11 1.36 -1.26 0.32 2.07 -1.97 -3.13 116.25 113.53 2diy h VAL 83 Ca 0.26 -1.64 0.39 0.00 0.82 0.00 0.00 66.70 66.54 2diy h VAL 83 Cb 0.53 2.40 -0.11 0.00 -1.52 0.00 0.00 31.29 32.58 2diy h VAL 83 CO -0.67 0.39 0.82 0.28 0.02 0.00 0.00 177.57 178.42 2diy h SER 84 N -0.81 0.27 0.23 0.57 0.02 -1.29 0.94 113.55 113.48 2diy h SER 84 Ca -0.01 0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 2diy h SER 84 Cb 0.69 0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.32 2diy h SER 84 CO 0.01 -0.10 -0.11 -0.33 -1.14 0.00 0.00 176.83 175.15 2diy h GLU 85 N 0.15 -0.30 -0.60 3.45 5.08 -0.85 0.88 114.58 122.40 2diy h GLU 85 Ca 0.76 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 59.20 2diy h GLU 85 Cb 2.34 0.07 -0.08 0.00 0.50 0.00 0.00 28.75 31.57 2diy h GLU 85 CO -0.36 0.07 -0.45 -0.22 -1.00 0.00 0.00 179.01 177.05 2diy h LYS 86 N -0.83 -0.12 0.00 2.33 3.64 -0.77 0.29 116.57 121.12 2diy h LYS 86 Ca -0.03 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2diy h LYS 86 Cb 0.51 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 2diy h LYS 86 CO 0.05 -0.08 0.00 0.66 -2.27 0.00 0.00 179.45 177.81 2diy n TYR 87 N -4.78 0.81 -3.07 1.91 4.01 -0.99 -4.93 117.16 110.12 2diy n TYR 87 Ca -0.00 0.24 -0.13 0.00 -0.16 0.00 0.00 57.90 57.85 2diy n TYR 87 Cb 0.23 -0.89 0.06 0.00 -0.31 0.00 0.00 39.34 38.42 2diy n TYR 87 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2diy n GLU 88 N -2.16 -4.77 -2.47 -0.72 1.02 0.17 -4.92 120.64 106.79 2diy n GLU 88 Ca 0.05 0.55 -0.39 0.00 -0.02 0.00 0.00 57.16 57.36 2diy n GLU 88 Cb 0.40 -4.72 -0.03 0.00 -0.02 0.00 0.00 31.44 27.07 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 -3.22 3.85 -0.45 -3.67 -1.09 0.25 -4.79 121.20 112.08 2diy s ILE 89 Ca 0.18 -0.79 0.03 0.00 -2.23 0.00 0.00 60.65 57.84 2diy s ILE 89 Cb -0.08 -4.89 0.45 0.00 -1.58 0.00 0.00 42.46 36.36 2diy s ILE 89 CO 0.48 -1.77 1.53 -0.24 -1.23 0.00 0.00 174.94 173.71 2diy n SER 90 N 9.77 6.04 -3.60 3.58 2.88 -1.26 -4.89 113.62 126.14 2diy n SER 90 Ca 0.36 -3.77 -0.14 0.00 -1.33 0.00 0.00 58.87 53.99 2diy n SER 90 Cb 0.50 -0.61 -0.07 0.00 -0.75 0.00 0.00 64.21 63.29 2diy n SER 90 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2diy s SER 91 N -2.86 -0.66 0.01 -3.46 1.04 -1.26 -5.18 113.70 101.32 2diy s SER 91 Ca 0.56 1.09 -0.08 0.00 0.48 0.00 0.00 55.95 58.00 2diy s SER 91 Cb 0.45 1.04 0.00 0.00 0.10 0.00 0.00 66.02 67.61 2diy s SER 91 CO -0.00 -0.35 0.15 0.68 0.98 0.00 0.00 173.24 174.71 2diy s VAL 92 N -0.19 0.09 0.80 5.02 -7.23 -1.26 -4.13 120.40 113.50 2diy s VAL 92 Ca -0.03 -0.71 -0.11 0.00 -1.81 0.00 0.00 61.98 59.32 2diy s VAL 92 Cb -0.03 -0.50 0.07 0.00 0.56 0.00 0.00 36.38 36.48 2diy s VAL 92 CO 0.03 -0.39 1.09 -2.16 -0.31 0.00 0.00 175.10 173.36 2diy s PRO 93 N -1.53 2.01 -0.30 4.82 0.04 -1.26 -4.85 135.00 133.93 2diy s PRO 93 Ca -0.14 1.09 -0.10 0.00 0.04 0.00 0.00 61.00 61.90 2diy s PRO 93 Cb -0.07 -1.87 0.14 0.00 0.04 0.00 0.00 34.50 32.74 2diy s PRO 93 CO 0.01 -1.79 0.68 0.99 0.04 0.00 0.00 177.00 176.93 2diy s THR 94 N -2.91 -0.94 0.14 1.26 2.01 -1.25 -2.90 115.64 111.04 2diy s THR 94 Ca 0.62 0.00 0.03 0.00 0.31 0.00 0.00 61.69 62.65 2diy s THR 94 Cb -0.17 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.30 2diy s THR 94 CO 0.56 0.00 0.22 -0.36 -0.69 0.00 0.00 174.62 174.35 2diy s PHE 95 N 2.85 3.37 -0.23 4.92 0.40 0.52 -1.19 117.98 128.62 2diy s PHE 95 Ca -0.03 0.09 -0.04 0.00 -0.60 0.00 0.00 56.93 56.35 2diy s PHE 95 Cb -0.12 -1.63 0.08 0.00 0.51 0.00 0.00 43.02 41.87 2diy s PHE 95 CO -0.19 0.53 0.14 -0.51 0.70 0.00 0.00 175.22 175.88 2diy s LEU 96 N -3.06 0.32 -0.12 -0.37 1.43 -0.22 -2.80 118.68 113.87 2diy s LEU 96 Ca 0.33 -0.83 -0.30 0.00 -1.03 0.00 0.00 54.13 52.30 2diy s LEU 96 Cb -0.11 -0.16 -0.01 0.00 0.03 0.00 0.00 46.19 45.94 2diy s LEU 96 CO 0.26 -0.38 1.05 -0.36 0.23 0.00 0.00 176.35 177.15 2diy s PHE 97 N 2.16 3.42 -0.25 0.29 0.40 -1.04 -1.88 117.98 121.08 2diy s PHE 97 Ca 0.06 1.50 0.03 0.00 -0.60 0.00 0.00 56.93 57.92 2diy s PHE 97 Cb -0.16 -3.24 0.05 0.00 0.51 0.00 0.00 43.02 40.18 2diy s PHE 97 CO -0.22 -0.46 -0.12 -0.06 0.70 0.00 0.00 175.22 175.06 2diy s PHE 98 N 2.24 3.21 -0.34 0.36 0.08 -0.88 -2.35 117.98 120.30 2diy s PHE 98 Ca 0.49 -2.23 -0.04 0.00 0.12 0.00 0.00 56.93 55.27 2diy s PHE 98 Cb -0.19 -1.93 0.06 0.00 -0.57 0.00 0.00 43.02 40.39 2diy s PHE 98 CO 0.17 -0.87 0.09 0.21 -0.10 0.00 0.00 175.22 174.72 2diy s LYS 99 N 1.13 2.43 -0.65 0.44 2.47 0.46 -3.26 119.74 122.75 2diy s LYS 99 Ca -0.07 -1.35 -0.04 0.00 -1.56 0.00 0.00 55.97 52.95 2diy s LYS 99 Cb -0.19 -3.39 0.00 0.00 -1.46 0.00 0.00 37.83 32.80 2diy s LYS 99 CO -0.06 -0.74 0.57 -1.71 0.16 0.00 0.00 175.35 173.57 2diy n ASN 100 N 4.70 -3.94 -2.25 1.43 2.85 -1.06 -2.99 115.26 114.02 2diy n ASN 100 Ca -0.11 -0.26 -0.17 0.00 -0.11 0.00 0.00 54.58 53.93 2diy n ASN 100 Cb 0.43 -2.69 0.02 0.00 1.24 0.00 0.00 39.78 38.78 2diy n ASN 100 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 2diy n SER 101 N -0.80 -5.10 -3.70 1.20 7.64 -1.26 -5.00 113.62 106.61 2diy n SER 101 Ca -0.01 -0.15 -0.11 0.00 1.01 0.00 0.00 58.87 59.60 2diy n SER 101 Cb 0.53 -4.03 -0.12 0.00 -1.01 0.00 0.00 64.21 59.59 2diy n SER 101 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2diy s GLN 102 N -5.24 0.30 0.20 1.43 -1.52 -1.16 -5.13 119.66 108.54 2diy s GLN 102 Ca 0.16 0.71 -0.30 0.00 -1.95 0.00 0.00 55.36 53.97 2diy s GLN 102 Cb -0.07 -0.03 -0.09 0.00 -0.22 0.00 0.00 33.01 32.60 2diy s GLN 102 CO 0.19 -0.18 1.36 0.21 -0.25 0.00 0.00 175.29 176.63 2diy s LYS 103 N 1.54 4.34 0.00 2.91 2.20 -1.26 -0.41 119.74 129.07 2diy s LYS 103 Ca -0.08 2.13 0.00 0.00 -0.36 0.00 0.00 55.97 57.66 2diy s LYS 103 Cb -0.10 -3.17 0.00 0.00 -1.51 0.00 0.00 37.83 33.05 2diy s LYS 103 CO -0.11 -0.32 0.00 0.44 -0.36 0.00 0.00 175.35 175.00 2diy n ILE 104 N 2.69 0.00 -4.29 5.43 -5.35 -0.99 -4.91 119.36 111.94 2diy n ILE 104 Ca 0.07 0.00 -0.15 0.00 -0.27 0.00 0.00 62.75 62.39 2diy n ILE 104 Cb 0.42 -0.62 -0.10 0.00 -1.74 0.00 0.00 39.64 37.60 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 -2.98 0.97 -0.30 7.28 2.15 -1.25 -5.06 116.67 117.49 2diy s ASP 105 Ca 0.00 -1.38 -0.12 0.00 0.43 0.00 0.00 52.55 51.48 2diy s ASP 105 Cb 0.00 0.21 0.13 0.00 -0.30 0.00 0.00 42.92 42.96 2diy s ASP 105 CO 0.00 -0.75 0.74 -0.60 -0.17 0.00 0.00 175.17 174.39 2diy s ARG 106 N -4.06 0.54 -0.22 4.34 3.52 -1.26 -2.48 118.95 119.33 2diy s ARG 106 Ca 0.38 1.23 -0.05 0.00 -0.13 0.00 0.00 55.73 57.16 2diy s ARG 106 Cb 0.08 0.61 -0.02 0.00 -1.56 0.00 0.00 34.95 34.06 2diy s ARG 106 CO 0.13 -0.17 0.00 -1.17 -0.81 0.00 0.00 175.30 173.29 2diy s LEU 107 N 2.49 3.20 -0.09 -0.88 0.20 -1.12 -4.98 118.68 117.49 2diy s LEU 107 Ca -0.06 -0.25 0.03 0.00 0.69 0.00 0.00 54.13 54.53 2diy s LEU 107 Cb -0.09 -1.82 -0.01 0.00 -0.43 0.00 0.00 46.19 43.84 2diy s LEU 107 CO -0.19 0.02 -0.20 -0.62 -0.29 0.00 0.00 176.35 175.08 2diy s ASP 108 N 1.26 3.47 0.00 3.68 2.15 -1.26 -0.36 116.67 125.61 2diy s ASP 108 Ca 0.04 -0.44 0.00 0.00 0.43 0.00 0.00 52.55 52.58 2diy s ASP 108 Cb -0.15 -1.29 0.00 0.00 -0.30 0.00 0.00 42.92 41.19 2diy s ASP 108 CO 0.01 0.20 0.00 0.61 -0.17 0.00 0.00 175.17 175.82 2diy n GLY 109 N 3.27 2.07 3.50 2.66 0.00 -1.14 -4.92 105.19 110.63 2diy n GLY 109 Ca -0.18 -1.37 -0.43 0.00 0.00 0.00 0.00 46.02 44.04 2diy n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2diy n ALA 110 N 2.53 0.80 -3.78 4.61 0.00 -1.26 -4.90 120.51 118.51 2diy n ALA 110 Ca 0.00 -0.45 -0.26 0.00 0.00 0.00 0.00 53.44 52.73 2diy n ALA 110 Cb 0.00 -2.74 -0.17 0.00 0.00 0.00 0.00 19.45 16.54 2diy n ALA 110 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2diy s HIS 111 N 9.62 1.00 -0.02 0.00 3.76 -1.26 -5.04 115.29 123.35 2diy s HIS 111 Ca 1.12 -0.63 -0.20 0.00 -0.15 0.00 0.00 55.06 55.20 2diy s HIS 111 Cb -0.69 -0.99 -0.12 0.00 1.11 0.00 0.00 32.58 31.89 2diy s HIS 111 CO 0.40 -0.50 0.88 0.00 -0.85 0.00 0.00 174.74 174.67 2diy h ALA 112 N 8.26 -0.57 0.04 -1.40 0.00 -1.97 -2.92 119.26 120.70 2diy h ALA 112 Ca -0.19 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 2diy h ALA 112 Cb 1.12 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2diy h ALA 112 CO 0.32 -0.58 -0.02 -1.00 0.00 0.00 0.00 179.25 177.97 2diy h PRO 113 N -1.06 -0.06 -0.86 0.00 0.13 -2.00 -3.19 132.00 124.96 2diy h PRO 113 Ca -0.06 0.00 0.20 0.00 -0.87 0.00 0.00 66.00 65.28 2diy h PRO 113 Cb 0.53 0.01 -0.12 0.00 0.13 0.00 0.00 31.00 31.55 2diy h PRO 113 CO 0.10 0.41 0.34 1.49 -0.23 0.00 0.00 178.00 180.10 2diy h GLU 114 N -0.55 0.36 0.48 0.86 4.57 -1.99 -0.69 114.58 117.62 2diy h GLU 114 Ca -0.01 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.14 2diy h GLU 114 Cb 0.49 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.99 2diy h GLU 114 CO 0.01 0.24 -0.40 1.25 -1.18 0.00 0.00 179.01 178.92 2diy h LEU 115 N 0.37 -1.08 -0.32 1.64 5.85 -1.53 -1.63 115.31 118.61 2diy h LEU 115 Ca 0.52 0.08 0.07 0.00 0.84 0.00 0.00 57.88 59.40 2diy h LEU 115 Cb 0.97 0.35 -0.08 0.00 0.37 0.00 0.00 40.66 42.27 2diy h LEU 115 CO -0.53 -0.56 -0.22 0.74 -0.34 0.00 0.00 178.44 177.54 2diy h THR 116 N -0.86 0.41 -0.32 1.05 2.02 -1.36 0.84 112.91 114.69 2diy h THR 116 Ca -0.06 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.16 2diy h THR 116 Cb 0.73 0.41 -0.07 0.00 -1.74 0.00 0.00 68.15 67.47 2diy h THR 116 CO -0.01 0.00 -0.50 0.11 0.37 0.00 0.00 175.52 175.49 2diy h LYS 117 N -0.19 -0.38 -0.25 6.66 1.57 -1.02 0.17 116.57 123.13 2diy h LYS 117 Ca 0.16 0.03 0.04 0.00 -1.87 0.00 0.00 60.65 59.01 2diy h LYS 117 Cb 0.44 0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.80 2diy h LYS 117 CO -0.43 -0.26 -0.00 0.87 -0.57 0.00 0.00 179.45 179.06 2diy h LYS 118 N -0.40 0.07 0.02 3.15 1.57 -0.89 -0.86 116.57 119.23 2diy h LYS 118 Ca 0.06 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.84 2diy h LYS 118 Cb 0.56 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.82 2diy h LYS 118 CO -0.51 0.05 -0.29 0.28 -0.57 0.00 0.00 179.45 178.40 2diy h VAL 119 N 0.07 0.00 -0.11 0.50 2.07 0.07 -0.49 116.25 118.36 2diy h VAL 119 Ca 0.12 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.68 2diy h VAL 119 Cb 0.16 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.86 2diy h VAL 119 CO -0.21 0.00 -0.41 1.56 0.02 0.00 0.00 177.57 178.53 2diy h GLN 120 N -0.39 -0.48 -0.50 1.57 4.20 -0.60 0.24 115.11 119.15 2diy h GLN 120 Ca 0.00 0.03 0.05 0.00 0.06 0.00 0.00 58.65 58.80 2diy h GLN 120 Cb 0.40 0.11 -0.07 0.00 0.30 0.00 0.00 27.48 28.22 2diy h GLN 120 CO -0.18 -0.32 -0.43 -0.09 -0.67 0.00 0.00 178.83 177.14 2diy h ARG 121 N -0.50 -0.16 0.00 1.46 2.43 -0.94 0.72 114.38 117.39 2diy h ARG 121 Ca 0.07 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2diy h ARG 121 Cb 0.63 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.21 2diy h ARG 121 CO -0.38 -0.11 -0.02 0.45 -1.51 0.00 0.00 179.97 178.40 2diy h HIS 122 N -0.17 0.00 -0.19 2.20 3.86 -0.77 -1.12 115.15 118.96 2diy h HIS 122 Ca 0.08 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.24 2diy h HIS 122 Cb 0.39 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.82 2diy h HIS 122 CO -0.83 0.02 0.07 0.00 0.86 0.00 0.00 177.93 178.04 2diy n ALA 123 N -2.23 3.04 -4.04 2.45 0.00 0.24 -4.84 120.51 115.13 2diy n ALA 123 Ca -0.03 -0.60 -0.33 0.00 0.00 0.00 0.00 53.44 52.48 2diy n ALA 123 Cb 0.10 -1.07 -0.04 0.00 0.00 0.00 0.00 19.45 18.45 2diy n ALA 123 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2diy n SER 124 N 0.13 -2.56 -4.50 0.00 2.88 -0.42 -4.83 113.62 104.32 2diy n SER 124 Ca 0.11 -0.85 -0.42 0.00 -1.33 0.00 0.00 58.87 56.37 2diy n SER 124 Cb 0.62 -2.16 -0.03 0.00 -0.75 0.00 0.00 64.21 61.89 2diy n SER 124 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2diy s SER 125 N -3.04 6.39 0.00 -3.46 0.15 -0.75 -4.57 113.70 108.42 2diy s SER 125 Ca 0.65 -1.30 0.00 0.00 0.70 0.00 0.00 55.95 56.00 2diy s SER 125 Cb -0.37 -2.49 0.00 0.00 -1.71 0.00 0.00 66.02 61.45 2diy s SER 125 CO 0.80 -1.44 0.00 0.61 1.20 0.00 0.00 173.24 174.41 2diy n GLY 126 N 5.86 0.63 3.56 9.45 0.00 -1.26 -4.70 105.19 118.73 2diy n GLY 126 Ca 0.16 -0.78 -0.40 0.00 0.00 0.00 0.00 46.02 45.00 2diy n GLY 126 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2diy s PRO 127 N -0.18 2.84 -1.39 1.61 0.04 -1.26 -3.86 135.00 132.80 2diy s PRO 127 Ca 0.00 0.80 -0.15 0.00 0.04 0.00 0.00 61.00 61.69 2diy s PRO 127 Cb 0.00 -4.32 0.15 0.00 0.04 0.00 0.00 34.50 30.37 2diy s PRO 127 CO 0.00 -2.47 0.38 -1.13 0.04 0.00 0.00 177.00 173.82 2diy n SER 128 N 11.97 -1.05 -4.39 6.66 3.41 -1.26 -4.87 113.62 124.09 2diy n SER 128 Ca 0.21 -0.95 -0.33 0.00 -0.26 0.00 0.00 58.87 57.54 2diy n SER 128 Cb 0.51 -1.21 -0.14 0.00 -0.26 0.00 0.00 64.21 63.10 2diy n SER 128 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2diy s SER 129 N -2.92 4.03 0.00 4.04 1.04 -1.25 -5.30 113.70 113.33 2diy s SER 129 Ca 0.54 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.67 2diy s SER 129 Cb -0.31 -1.48 0.00 0.00 0.10 0.00 0.00 66.02 64.33 2diy s SER 129 CO 0.78 0.20 0.00 0.61 0.98 0.00 0.00 173.24 175.81