#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2diy n SER 2 N 0.00 -3.42 -4.40 1.61 2.88 -1.26 -4.96 113.62 104.07 2diy n SER 2 Ca 0.00 -0.89 -0.20 0.00 -1.33 0.00 0.00 58.87 56.45 2diy n SER 2 Cb 0.00 -3.43 -0.10 0.00 -0.75 0.00 0.00 64.21 59.92 2diy n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2diy s SER 3 N -3.54 2.41 -0.30 -3.46 1.04 -1.26 -5.15 113.70 103.44 2diy s SER 3 Ca 0.54 -1.23 -0.15 0.00 0.48 0.00 0.00 55.95 55.60 2diy s SER 3 Cb -0.28 -0.10 0.15 0.00 0.10 0.00 0.00 66.02 65.89 2diy s SER 3 CO 0.87 -0.44 0.94 -0.83 0.98 0.00 0.00 173.24 174.76 2diy s GLY 4 N -3.41 -0.22 -0.11 7.32 0.00 -1.26 -5.16 107.32 104.48 2diy s GLY 4 Ca 0.30 2.97 -0.01 0.00 0.00 0.00 0.00 44.72 47.98 2diy s GLY 4 CO 0.11 3.05 -0.05 -0.56 0.00 0.00 0.00 173.10 175.65 2diy s SER 5 N 2.23 4.71 -0.18 1.64 0.01 -1.26 -5.10 113.70 115.75 2diy s SER 5 Ca -0.05 -0.07 -0.06 0.00 1.31 0.00 0.00 55.95 57.08 2diy s SER 5 Cb -0.06 -1.48 0.09 0.00 0.21 0.00 0.00 66.02 64.78 2diy s SER 5 CO -0.17 0.27 0.37 -0.44 0.41 0.00 0.00 173.24 173.68 2diy s SER 6 N -0.25 -0.04 -0.28 2.44 0.01 -1.26 -5.13 113.70 109.19 2diy s SER 6 Ca 0.04 0.83 0.00 0.00 1.31 0.00 0.00 55.95 58.13 2diy s SER 6 Cb -0.13 1.15 0.17 0.00 0.21 0.00 0.00 66.02 67.42 2diy s SER 6 CO 0.02 -0.24 0.50 -0.83 0.41 0.00 0.00 173.24 173.11 2diy s GLY 7 N 2.55 -0.80 -0.30 3.44 0.00 -1.26 -5.12 107.32 105.84 2diy s GLY 7 Ca -0.00 1.19 0.00 0.00 0.00 0.00 0.00 44.72 45.91 2diy s GLY 7 CO -0.12 3.16 0.61 -0.29 0.00 0.00 0.00 173.10 176.46 2diy s MET 8 N 2.71 0.56 -0.12 2.90 -2.45 -1.26 -5.15 119.30 116.50 2diy s MET 8 Ca 0.15 0.90 0.02 0.00 -1.25 0.00 0.00 55.69 55.51 2diy s MET 8 Cb -0.14 0.49 0.01 0.00 1.25 0.00 0.00 34.83 36.44 2diy s MET 8 CO -0.22 -0.70 -0.18 0.00 1.05 0.00 0.00 175.02 174.97 2diy s ALA 9 N 2.86 1.91 -0.24 4.11 0.00 -1.26 -5.11 121.76 124.03 2diy s ALA 9 Ca 0.18 -0.87 -0.29 0.00 0.00 0.00 0.00 51.96 50.99 2diy s ALA 9 Cb -0.14 -0.88 0.16 0.00 0.00 0.00 0.00 23.12 22.26 2diy s ALA 9 CO -0.22 -0.04 1.19 0.00 0.00 0.00 0.00 175.76 176.70 2diy s ALA 10 N 0.88 -2.04 0.00 0.00 0.00 -1.26 -5.14 121.76 114.20 2diy s ALA 10 Ca -0.08 1.75 0.00 0.00 0.00 0.00 0.00 51.96 53.63 2diy s ALA 10 Cb -0.15 -1.22 0.00 0.00 0.00 0.00 0.00 23.12 21.75 2diy s ALA 10 CO -0.01 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 175.91 2diy n GLY 11 N 0.86 -1.25 3.02 0.00 0.00 -1.26 -5.15 105.19 101.41 2diy n GLY 11 Ca -0.06 0.91 -0.08 0.00 0.00 0.00 0.00 46.02 46.78 2diy n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2diy s ALA 12 N 0.00 -1.19 -0.14 4.61 0.00 -1.26 -5.15 121.76 118.63 2diy s ALA 12 Ca 0.00 1.13 -0.07 0.00 0.00 0.00 0.00 51.96 53.03 2diy s ALA 12 Cb 0.00 -1.62 -0.04 0.00 0.00 0.00 0.00 23.12 21.46 2diy s ALA 12 CO 0.00 -1.13 0.09 0.00 0.00 0.00 0.00 175.76 174.71 2diy s ALA 13 N 2.59 3.60 -0.30 0.00 0.00 -1.26 -5.08 121.76 121.30 2diy s ALA 13 Ca 0.10 -0.71 -0.05 0.00 0.00 0.00 0.00 51.96 51.30 2diy s ALA 13 Cb -0.15 -1.89 0.03 0.00 0.00 0.00 0.00 23.12 21.12 2diy s ALA 13 CO -0.15 0.42 0.05 -2.00 0.00 0.00 0.00 175.76 174.08 2diy s GLU 14 N -0.40 2.73 -1.07 0.00 2.56 -1.26 -5.04 118.70 116.21 2diy s GLU 14 Ca 0.10 -1.08 -0.19 0.00 0.00 0.00 0.00 54.97 53.80 2diy s GLU 14 Cb -0.12 -3.30 0.11 0.00 2.00 0.00 0.00 34.13 32.82 2diy s GLU 14 CO 0.02 -0.56 1.38 0.00 -0.56 0.00 0.00 175.26 175.54 2diy s ALA 15 N 1.38 3.33 -0.30 6.30 0.00 -1.26 -4.88 121.76 126.33 2diy s ALA 15 Ca -0.01 -2.79 -0.13 0.00 0.00 0.00 0.00 51.96 49.03 2diy s ALA 15 Cb -0.18 -4.29 0.15 0.00 0.00 0.00 0.00 23.12 18.80 2diy s ALA 15 CO 0.01 -3.15 0.86 0.00 0.00 0.00 0.00 175.76 173.48 2diy s ALA 16 N 3.27 -2.48 -0.14 0.00 0.00 -1.26 -5.16 121.76 116.00 2diy s ALA 16 Ca 0.42 2.14 -0.06 0.00 0.00 0.00 0.00 51.96 54.46 2diy s ALA 16 Cb -0.02 -1.97 -0.04 0.00 0.00 0.00 0.00 23.12 21.10 2diy s ALA 16 CO -0.05 -0.96 0.07 0.08 0.00 0.00 0.00 175.76 174.90 2diy s VAL 17 N 2.63 4.84 -0.48 0.00 1.01 -1.26 -5.00 120.40 122.15 2diy s VAL 17 Ca -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 61.98 61.92 2diy s VAL 17 Cb -0.08 -3.12 0.42 0.00 0.00 0.00 0.00 36.38 33.59 2diy s VAL 17 CO -0.18 0.54 1.93 0.00 0.00 0.00 0.00 175.10 177.39 2diy n ALA 18 N 2.75 5.58 -2.46 5.51 0.00 -1.26 -4.92 120.51 125.71 2diy n ALA 18 Ca -0.18 -2.64 -0.25 0.00 0.00 0.00 0.00 53.44 50.37 2diy n ALA 18 Cb 0.53 -1.54 -0.12 0.00 0.00 0.00 0.00 19.45 18.33 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 -2.93 2.16 0.31 0.00 0.00 -1.26 -3.66 121.76 116.38 2diy s ALA 19 Ca 0.50 -1.45 -0.28 0.00 0.00 0.00 0.00 51.96 50.73 2diy s ALA 19 Cb 0.40 -0.28 -0.09 0.00 0.00 0.00 0.00 23.12 23.14 2diy s ALA 19 CO 0.02 0.39 1.08 0.08 0.00 0.00 0.00 175.76 177.33 2diy s VAL 20 N -1.46 3.58 -0.11 0.00 1.01 -1.26 -4.82 120.40 117.33 2diy s VAL 20 Ca 0.14 1.48 -0.12 0.00 0.00 0.00 0.00 61.98 63.48 2diy s VAL 20 Cb -0.09 -3.90 -0.05 0.00 0.00 0.00 0.00 36.38 32.34 2diy s VAL 20 CO 0.07 0.28 0.27 -1.61 0.00 0.00 0.00 175.10 174.10 2diy s GLU 21 N -1.71 3.96 -0.18 2.72 0.41 -0.99 -4.97 118.70 117.94 2diy s GLU 21 Ca 0.48 0.09 -0.16 0.00 -0.41 0.00 0.00 54.97 54.97 2diy s GLU 21 Cb -0.29 -3.31 -0.04 0.00 -1.78 0.00 0.00 34.13 28.71 2diy s GLU 21 CO 0.37 0.49 0.39 -2.00 -0.49 0.00 0.00 175.26 174.03 2diy s GLU 22 N -0.31 4.21 -0.13 1.61 -6.30 -1.26 -2.47 118.70 114.04 2diy s GLU 22 Ca 0.17 0.22 -0.17 0.00 -2.50 0.00 0.00 54.97 52.69 2diy s GLU 22 Cb -0.13 -3.50 -0.04 0.00 0.00 0.00 0.00 34.13 30.45 2diy s GLU 22 CO 0.06 0.03 0.44 0.08 0.02 0.00 0.00 175.26 175.89 2diy s VAL 23 N 1.07 5.21 -0.08 3.70 1.01 -1.15 -4.96 120.40 125.20 2diy s VAL 23 Ca 0.19 0.87 0.22 0.00 0.00 0.00 0.00 61.98 63.26 2diy s VAL 23 Cb -0.14 -3.78 -0.27 0.00 0.00 0.00 0.00 36.38 32.18 2diy s VAL 23 CO 0.08 0.33 0.54 0.61 0.00 0.00 0.00 175.10 176.65 2diy n GLY 24 N 3.34 -1.08 3.60 4.51 0.00 -1.26 -4.65 105.19 109.65 2diy n GLY 24 Ca -0.08 -0.45 -0.07 0.00 0.00 0.00 0.00 46.02 45.43 2diy n GLY 24 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2diy s SER 25 N -4.78 -0.30 0.60 1.61 1.04 -1.26 -4.70 113.70 105.91 2diy s SER 25 Ca -0.07 -0.17 0.28 0.00 0.48 0.00 0.00 55.95 56.47 2diy s SER 25 Cb 0.12 0.44 1.29 0.00 0.10 0.00 0.00 66.02 67.97 2diy s SER 25 CO 0.88 -0.76 1.69 0.00 0.98 0.00 0.00 173.24 176.03 2diy h ALA 26 N 2.00 2.40 0.18 5.32 0.00 -1.95 -0.43 119.26 126.78 2diy h ALA 26 Ca -0.24 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 2diy h ALA 26 Cb 1.24 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2diy h ALA 26 CO 0.29 -1.05 -0.09 0.78 0.00 0.00 0.00 179.25 179.18 2diy h GLY 27 N 0.00 -0.26 0.98 0.00 0.00 -1.97 0.57 103.07 102.39 2diy h GLY 27 Ca 0.29 0.10 -0.00 0.00 0.00 0.00 0.00 47.33 47.73 2diy h GLY 27 CO -0.00 -0.10 0.16 -1.61 0.00 0.00 0.00 176.54 174.99 2diy h GLN 28 N -0.26 0.36 0.36 4.80 5.75 -1.48 -1.18 115.11 123.46 2diy h GLN 28 Ca -0.02 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.43 2diy h GLN 28 Cb 0.20 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 28.68 2diy h GLN 28 CO 0.04 0.27 -0.17 0.35 -2.65 0.00 0.00 178.83 176.66 2diy h PHE 29 N 0.34 -0.44 -0.76 3.99 3.57 -1.46 0.12 116.94 122.30 2diy h PHE 29 Ca 0.10 -0.01 0.22 0.00 3.53 0.00 0.00 57.97 61.81 2diy h PHE 29 Cb 0.00 0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.86 2diy h PHE 29 CO -0.05 -0.28 0.84 0.93 -2.23 0.00 0.00 178.31 177.52 2diy h GLU 30 N -0.64 0.00 0.03 1.11 4.39 0.10 0.20 114.58 119.77 2diy h GLU 30 Ca -0.05 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.52 2diy h GLU 30 Cb 0.37 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 2diy h GLU 30 CO 0.08 0.00 -0.67 1.49 -1.16 0.00 0.00 179.01 178.75 2diy h GLU 31 N 0.00 0.06 0.00 2.33 4.22 -1.07 -3.31 114.58 116.81 2diy h GLU 31 Ca 0.36 -0.10 0.00 0.00 0.08 0.00 0.00 59.36 59.70 2diy h GLU 31 Cb 2.04 0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.32 2diy h GLU 31 CO -0.00 1.05 0.00 1.25 -2.18 0.00 0.00 179.01 179.12 2diy h LEU 32 N -0.85 0.00 -0.55 1.64 5.85 0.21 -2.16 115.31 119.45 2diy h LEU 32 Ca -0.17 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.52 2diy h LEU 32 Cb 1.26 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.26 2diy h LEU 32 CO -0.05 0.00 0.23 -0.07 -0.34 0.00 0.00 178.44 178.22 2diy h LEU 33 N 0.00 0.75 0.24 2.25 3.38 -1.19 0.42 115.31 121.16 2diy h LEU 33 Ca 0.00 -0.16 -0.34 0.00 0.09 0.00 0.00 57.88 57.47 2diy h LEU 33 Cb 0.06 -0.19 0.03 0.00 0.09 0.00 0.00 40.66 40.65 2diy h LEU 33 CO 0.00 0.70 -1.52 0.08 0.09 0.00 0.00 178.44 177.78 2diy h ARG 34 N 0.74 0.51 0.24 1.13 0.11 -1.57 -2.34 114.38 113.20 2diy h ARG 34 Ca 0.18 -0.88 -0.01 0.00 0.10 0.00 0.00 59.98 59.37 2diy h ARG 34 Cb 0.18 0.33 0.00 0.00 1.11 0.00 0.00 29.97 31.58 2diy h ARG 34 CO -0.02 1.42 -0.11 -0.07 0.10 0.00 0.00 179.97 181.29 2diy h LEU 35 N 0.14 -0.27 -3.42 0.08 -0.00 -1.44 -2.64 115.31 107.75 2diy h LEU 35 Ca -0.27 -0.01 -0.27 0.00 -0.00 0.00 0.00 57.88 57.34 2diy h LEU 35 Cb 2.16 0.07 -0.16 0.00 -0.00 0.00 0.00 40.66 42.73 2diy h LEU 35 CO 0.26 -0.18 0.34 0.29 -0.00 0.00 0.00 178.44 179.16 2diy n LYS 36 N -5.22 2.78 0.06 1.13 4.76 0.13 -4.53 118.16 117.26 2diy n LYS 36 Ca -0.09 -2.47 -0.11 0.00 -2.87 0.00 0.00 58.31 52.76 2diy n LYS 36 Cb 0.16 -2.01 -0.05 0.00 -1.84 0.00 0.00 35.03 31.28 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 2.06 -0.12 -0.66 7.82 0.00 -1.03 -2.71 119.26 124.62 2diy h ALA 37 Ca 0.33 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 2diy h ALA 37 Cb 2.23 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 20.16 2diy h ALA 37 CO 0.72 -0.59 0.37 0.87 0.00 0.00 0.00 179.25 180.62 2diy h LYS 38 N -0.18 0.91 -7.32 0.00 1.79 -1.81 -1.42 116.57 108.54 2diy h LYS 38 Ca 0.03 -0.10 -0.50 0.00 -2.18 0.00 0.00 60.65 57.90 2diy h LYS 38 Cb 0.22 -0.18 0.06 0.00 -1.58 0.00 0.00 32.23 30.75 2diy h LYS 38 CO -0.09 0.67 0.40 -1.12 -1.08 0.00 0.00 179.45 178.23 2diy s SER 39 N -5.94 6.05 -0.33 0.86 0.01 -1.02 -4.85 113.70 108.47 2diy s SER 39 Ca -0.13 1.52 -0.29 0.00 1.31 0.00 0.00 55.95 58.36 2diy s SER 39 Cb 0.14 -2.49 0.01 0.00 0.21 0.00 0.00 66.02 63.90 2diy s SER 39 CO 0.78 -0.99 1.13 -0.22 0.41 0.00 0.00 173.24 174.35 2diy s LEU 40 N -5.06 3.90 -0.02 2.44 2.96 -1.26 -4.54 118.68 117.09 2diy s LEU 40 Ca 0.57 1.03 -0.11 0.00 -0.22 0.00 0.00 54.13 55.40 2diy s LEU 40 Cb -0.12 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.98 2diy s LEU 40 CO 0.50 -0.96 0.31 -0.22 -1.32 0.00 0.00 176.35 174.66 2diy s LEU 41 N 3.88 4.42 -0.27 -0.68 2.96 -1.03 -1.11 118.68 126.86 2diy s LEU 41 Ca 0.48 0.75 -0.01 0.00 -0.22 0.00 0.00 54.13 55.13 2diy s LEU 41 Cb -0.13 -2.50 0.08 0.00 0.50 0.00 0.00 46.19 44.14 2diy s LEU 41 CO 0.19 0.32 0.06 -0.69 -1.32 0.00 0.00 176.35 174.91 2diy s VAL 42 N -1.14 0.83 -0.10 1.68 1.01 -0.57 -1.15 120.40 120.96 2diy s VAL 42 Ca 0.23 -1.11 -0.24 0.00 0.00 0.00 0.00 61.98 60.86 2diy s VAL 42 Cb -0.15 -1.48 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 2diy s VAL 42 CO 0.12 -0.47 0.74 -0.69 0.00 0.00 0.00 175.10 174.80 2diy s VAL 43 N 1.67 5.00 -0.14 2.92 1.01 -0.10 -1.55 120.40 129.21 2diy s VAL 43 Ca 0.05 1.50 0.02 0.00 0.00 0.00 0.00 61.98 63.54 2diy s VAL 43 Cb -0.17 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.14 2diy s VAL 43 CO -0.18 0.19 -0.20 -2.28 0.00 0.00 0.00 175.10 172.62 2diy s HIS 44 N 1.19 2.69 -0.32 5.22 5.65 0.05 0.26 115.29 130.03 2diy s HIS 44 Ca 0.38 -1.20 -0.21 0.00 0.25 0.00 0.00 55.06 54.28 2diy s HIS 44 Cb -0.17 -1.82 -0.00 0.00 -1.18 0.00 0.00 32.58 29.40 2diy s HIS 44 CO 0.17 -0.53 0.66 -0.06 -0.65 0.00 0.00 174.74 174.33 2diy s PHE 45 N 0.72 3.19 -0.02 3.88 0.40 0.11 -0.04 117.98 126.23 2diy s PHE 45 Ca -0.09 0.57 0.06 0.00 -0.60 0.00 0.00 56.93 56.87 2diy s PHE 45 Cb -0.16 -3.07 -0.02 0.00 0.51 0.00 0.00 43.02 40.28 2diy s PHE 45 CO 0.01 -0.53 -0.20 1.67 0.70 0.00 0.00 175.22 176.86 2diy s TRP 46 N 2.70 1.81 0.02 0.36 1.48 -0.87 -3.63 118.94 120.82 2diy s TRP 46 Ca 0.26 -0.35 0.08 0.00 -1.06 0.00 0.00 56.10 55.03 2diy s TRP 46 Cb -0.15 -1.17 -0.02 0.00 -1.16 0.00 0.00 33.47 30.97 2diy s TRP 46 CO 0.13 -0.03 -0.22 0.00 -4.06 0.00 0.00 176.95 172.76 2diy s ALA 47 N -0.46 1.88 -1.38 2.67 0.00 -1.26 -3.65 121.76 119.56 2diy s ALA 47 Ca 0.07 -1.06 0.15 0.00 0.00 0.00 0.00 51.96 51.12 2diy s ALA 47 Cb -0.08 -0.41 0.73 0.00 0.00 0.00 0.00 23.12 23.35 2diy s ALA 47 CO -0.01 0.44 1.41 -0.35 0.00 0.00 0.00 175.76 177.26 2diy n PRO 48 N 2.08 0.18 -0.09 0.00 -0.04 -1.26 -2.99 135.00 132.88 2diy n PRO 48 Ca -0.16 0.16 -0.13 0.00 -0.04 0.00 0.00 63.50 63.32 2diy n PRO 48 Cb 0.53 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.40 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 -1.31 0.00 -2.23 0.54 4.27 -1.26 -4.93 117.44 112.52 2diy n TRP 49 Ca 0.07 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.25 2diy n TRP 49 Cb 0.12 -0.71 -0.02 0.00 -1.36 0.00 0.00 31.31 29.34 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 -2.37 3.31 -1.36 -1.67 0.00 -1.16 -4.87 121.76 113.64 2diy s ALA 50 Ca -0.25 0.33 0.15 0.00 0.00 0.00 0.00 51.96 52.19 2diy s ALA 50 Cb 0.07 -3.82 0.72 0.00 0.00 0.00 0.00 23.12 20.09 2diy s ALA 50 CO 0.42 -1.88 1.41 -0.35 0.00 0.00 0.00 175.76 175.36 2diy n PRO 51 N 7.53 0.18 0.09 0.00 -0.04 -1.26 -3.45 135.00 138.04 2diy n PRO 51 Ca 0.17 0.16 -0.05 0.00 -0.04 0.00 0.00 63.50 63.75 2diy n PRO 51 Cb 0.46 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.39 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 -0.30 -1.52 0.54 4.20 -1.92 -3.27 115.11 112.84 2diy h GLN 52 Ca 0.00 0.02 0.48 0.00 0.06 0.00 0.00 58.65 59.21 2diy h GLN 52 Cb 0.16 0.07 -0.10 0.00 0.30 0.00 0.00 27.48 27.90 2diy h GLN 52 CO 0.00 -0.20 1.04 0.00 -0.67 0.00 0.00 178.83 179.00 2diy n ALA 54 N -2.68 -0.34 -0.11 0.00 0.00 -1.23 0.93 120.51 117.07 2diy n ALA 54 Ca 0.39 0.00 0.21 0.00 0.00 0.00 0.00 53.44 54.04 2diy n ALA 54 Cb 1.63 0.14 0.63 0.00 0.00 0.00 0.00 19.45 21.86 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 0.14 -0.10 0.00 -0.00 -1.22 0.18 115.11 114.11 2diy h GLN 55 Ca 0.00 -0.01 -0.16 0.00 -0.00 0.00 0.00 58.65 58.48 2diy h GLN 55 Cb 0.00 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.48 27.44 2diy h GLN 55 CO 0.00 0.09 -0.63 0.52 -0.00 0.00 0.00 178.83 178.81 2diy h MET 56 N 0.15 0.37 -0.32 0.06 0.00 -0.95 -3.17 114.93 111.06 2diy h MET 56 Ca 0.35 -0.26 0.01 0.00 0.00 0.00 0.00 59.70 59.80 2diy h MET 56 Cb 1.18 0.04 -0.02 0.00 0.00 0.00 0.00 31.60 32.80 2diy h MET 56 CO -0.05 0.88 0.21 -0.91 0.00 0.00 0.00 176.91 177.03 2diy h ASN 57 N 0.27 0.35 0.40 1.22 2.35 0.37 -2.70 115.58 117.83 2diy h ASN 57 Ca -0.01 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 2diy h ASN 57 Cb 1.17 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 39.44 2diy h ASN 57 CO 0.11 0.25 -0.38 -0.33 -1.65 0.00 0.00 177.43 175.43 2diy h GLU 58 N 0.42 -0.76 -0.84 0.81 4.39 -1.52 -2.58 114.58 114.50 2diy h GLU 58 Ca 0.12 0.05 0.20 0.00 0.34 0.00 0.00 59.36 60.07 2diy h GLU 58 Cb -0.03 0.17 -0.15 0.00 -0.10 0.00 0.00 28.75 28.64 2diy h GLU 58 CO -0.04 -0.51 0.00 0.28 -1.16 0.00 0.00 179.01 177.59 2diy h VAL 59 N -0.79 0.23 -0.00 3.13 2.07 -1.51 -1.72 116.25 117.66 2diy h VAL 59 Ca -0.03 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 67.47 2diy h VAL 59 Cb 0.71 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 2diy h VAL 59 CO -0.05 0.01 -0.28 0.24 0.02 0.00 0.00 177.57 177.51 2diy h MET 60 N 0.08 -0.34 -0.75 1.57 2.86 -1.13 -2.26 114.93 114.96 2diy h MET 60 Ca 0.47 0.02 0.12 0.00 -2.06 0.00 0.00 59.70 58.25 2diy h MET 60 Cb 0.87 0.08 -0.12 0.00 0.06 0.00 0.00 31.60 32.48 2diy h MET 60 CO -0.76 -0.22 -0.29 0.00 1.06 0.00 0.00 176.91 176.70 2diy n ALA 61 N -2.75 -0.07 -0.22 6.32 0.00 -0.66 0.17 120.51 123.30 2diy n ALA 61 Ca -0.04 0.76 0.02 0.00 0.00 0.00 0.00 53.44 54.18 2diy n ALA 61 Cb 0.21 -0.35 0.13 0.00 0.00 0.00 0.00 19.45 19.44 2diy n ALA 61 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2diy h GLU 62 N 0.00 0.36 -0.36 0.00 3.07 -1.29 -1.58 114.58 114.79 2diy h GLU 62 Ca 0.27 -0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 59.07 2diy h GLU 62 Cb 0.46 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.27 2diy h GLU 62 CO -0.75 0.24 0.07 -0.07 -1.40 0.00 0.00 179.01 177.10 2diy h LEU 63 N 0.37 0.56 -0.47 1.33 3.38 0.21 -1.05 115.31 119.64 2diy h LEU 63 Ca 0.34 -0.24 0.09 0.00 0.09 0.00 0.00 57.88 58.15 2diy h LEU 63 Cb 0.48 -0.15 -0.10 0.00 0.09 0.00 0.00 40.66 40.99 2diy h LEU 63 CO -0.37 0.66 -0.35 0.00 0.09 0.00 0.00 178.44 178.47 2diy h ALA 64 N 0.92 -0.19 -0.40 1.53 0.00 0.14 1.25 119.26 122.51 2diy h ALA 64 Ca 0.11 0.12 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 2diy h ALA 64 Cb 0.33 0.78 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2diy h ALA 64 CO 0.00 -0.74 -0.14 1.57 0.00 0.00 0.00 179.25 179.94 2diy h LYS 65 N -0.24 0.80 0.00 0.00 2.10 -1.41 -2.70 116.57 115.12 2diy h LYS 65 Ca 0.19 -0.33 -0.01 0.00 -2.00 0.00 0.00 60.65 58.50 2diy h LYS 65 Cb 0.55 -0.04 -0.00 0.00 -0.90 0.00 0.00 32.23 31.85 2diy h LYS 65 CO -0.60 0.95 -0.06 1.49 -2.00 0.00 0.00 179.45 179.23 2diy h GLU 66 N 0.61 0.00 -2.85 0.07 4.57 -0.04 -3.34 114.58 113.59 2diy h GLU 66 Ca 0.10 0.00 -0.60 0.00 -1.18 0.00 0.00 59.36 57.67 2diy h GLU 66 Cb 0.68 0.00 -0.40 0.00 -0.16 0.00 0.00 28.75 28.87 2diy h GLU 66 CO 0.05 0.06 -0.77 -0.51 -1.18 0.00 0.00 179.01 176.65 2diy s LEU 67 N -6.60 2.25 0.17 1.64 1.43 0.42 -4.97 118.68 113.01 2diy s LEU 67 Ca -0.02 -2.58 -0.07 0.00 -1.03 0.00 0.00 54.13 50.43 2diy s LEU 67 Cb 0.12 -0.85 0.05 0.00 0.03 0.00 0.00 46.19 45.53 2diy s LEU 67 CO 0.53 -0.27 1.52 1.55 0.23 0.00 0.00 176.35 179.91 2diy h PRO 68 N 6.69 0.80 0.00 1.29 0.13 -1.69 -2.75 132.00 136.47 2diy h PRO 68 Ca 0.03 -0.42 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2diy h PRO 68 Cb 0.93 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.08 2diy h PRO 68 CO 0.43 1.05 0.00 0.00 -0.23 0.00 0.00 178.00 179.25 2diy n GLN 69 N -4.04 0.15 -4.11 0.86 0.00 -1.26 -4.65 117.38 104.32 2diy n GLN 69 Ca -0.02 0.19 -0.33 0.00 0.00 0.00 0.00 57.00 56.84 2diy n GLN 69 Cb 0.54 -1.50 -0.07 0.00 0.00 0.00 0.00 30.24 29.21 2diy n GLN 69 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 2diy s VAL 70 N -2.58 4.68 -0.33 -0.39 1.01 -1.04 -4.07 120.40 117.68 2diy s VAL 70 Ca 0.10 -0.43 -0.02 0.00 0.00 0.00 0.00 61.98 61.63 2diy s VAL 70 Cb 0.07 -3.14 0.07 0.00 0.00 0.00 0.00 36.38 33.38 2diy s VAL 70 CO 0.16 0.35 0.06 -0.44 0.00 0.00 0.00 175.10 175.23 2diy s SER 71 N -1.74 4.99 -0.12 3.32 0.01 -0.26 -4.98 113.70 114.91 2diy s SER 71 Ca 0.23 -1.54 -0.15 0.00 1.31 0.00 0.00 55.95 55.79 2diy s SER 71 Cb -0.12 -1.74 -0.05 0.00 0.21 0.00 0.00 66.02 64.33 2diy s SER 71 CO 0.14 -0.35 0.37 -0.36 0.41 0.00 0.00 173.24 173.45 2diy s PHE 72 N 1.20 3.52 -0.03 2.43 0.40 -1.26 -1.51 117.98 122.72 2diy s PHE 72 Ca -0.00 0.75 -0.01 0.00 -0.60 0.00 0.00 56.93 57.07 2diy s PHE 72 Cb -0.21 -2.40 0.03 0.00 0.51 0.00 0.00 43.02 40.96 2diy s PHE 72 CO -0.02 0.29 0.07 0.14 0.70 0.00 0.00 175.22 176.39 2diy s VAL 73 N 0.26 -0.05 0.14 -0.44 -7.23 -0.60 -2.36 120.40 110.13 2diy s VAL 73 Ca 0.21 0.17 0.04 0.00 -1.81 0.00 0.00 61.98 60.58 2diy s VAL 73 Cb -0.14 -0.13 -0.04 0.00 0.56 0.00 0.00 36.38 36.63 2diy s VAL 73 CO 0.07 0.07 0.15 -1.59 -0.31 0.00 0.00 175.10 173.49 2diy s LYS 74 N 0.92 3.00 -0.06 4.82 0.00 -1.03 -0.77 119.74 126.62 2diy s LYS 74 Ca -0.07 -0.77 -0.03 0.00 0.00 0.00 0.00 55.97 55.10 2diy s LYS 74 Cb -0.10 -2.73 0.04 0.00 0.00 0.00 0.00 37.83 35.03 2diy s LYS 74 CO -0.03 0.51 0.13 -1.17 0.00 0.00 0.00 175.35 174.79 2diy s LEU 75 N -2.94 0.82 -0.51 2.77 0.20 0.94 -2.93 118.68 117.02 2diy s LEU 75 Ca 0.31 0.26 -0.25 0.00 0.69 0.00 0.00 54.13 55.14 2diy s LEU 75 Cb -0.11 0.31 0.03 0.00 -0.43 0.00 0.00 46.19 46.00 2diy s LEU 75 CO 0.24 -0.14 0.97 -0.70 -0.29 0.00 0.00 176.35 176.44 2diy s GLU 76 N 1.08 3.46 0.31 1.98 2.12 -1.26 -2.05 118.70 124.35 2diy s GLU 76 Ca -0.08 0.04 0.07 0.00 0.36 0.00 0.00 54.97 55.35 2diy s GLU 76 Cb -0.11 -3.98 0.80 0.00 0.26 0.00 0.00 34.13 31.10 2diy s GLU 76 CO -0.05 -1.38 1.75 0.00 -0.54 0.00 0.00 175.26 175.03 2diy h ALA 77 N 9.23 1.70 0.00 6.30 0.00 -1.85 0.76 119.26 135.39 2diy h ALA 77 Ca -0.25 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2diy h ALA 77 Cb 1.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2diy h ALA 77 CO 1.07 -0.18 0.00 0.93 0.00 0.00 0.00 179.25 181.07 2diy h GLU 78 N 0.64 0.00 0.00 0.00 5.08 -1.91 -3.31 114.58 115.08 2diy h GLU 78 Ca 0.61 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.97 2diy h GLU 78 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 2diy h GLU 78 CO -0.44 0.00 -0.30 0.78 -1.00 0.00 0.00 179.01 178.05 2diy h GLY 79 N 3.89 0.00 -7.43 -3.84 0.00 -0.06 -3.42 103.07 92.20 2diy h GLY 79 Ca 0.00 0.00 -0.73 0.00 0.00 0.00 0.00 47.33 46.60 2diy h GLY 79 CO 0.00 0.00 0.03 0.14 0.00 0.00 0.00 176.54 176.71 2diy s VAL 80 N -1.92 4.79 0.24 4.60 1.01 0.11 -4.87 120.40 124.35 2diy s VAL 80 Ca -0.09 -3.59 0.22 0.00 0.00 0.00 0.00 61.98 58.52 2diy s VAL 80 Cb 0.01 -3.95 0.20 0.00 0.00 0.00 0.00 36.38 32.64 2diy s VAL 80 CO 0.13 -1.09 1.85 1.55 0.00 0.00 0.00 175.10 177.54 2diy h PRO 81 N 6.38 0.00 -0.85 2.72 0.13 -1.79 -3.13 132.00 135.45 2diy h PRO 81 Ca 0.14 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 65.44 2diy h PRO 81 Cb 0.85 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.88 2diy h PRO 81 CO 0.87 0.27 0.42 1.49 -0.23 0.00 0.00 178.00 180.82 2diy h GLU 82 N 0.00 0.55 0.03 0.86 4.57 -1.91 0.53 114.58 119.21 2diy h GLU 82 Ca -0.00 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.14 2diy h GLU 82 Cb 0.70 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.16 2diy h GLU 82 CO 0.03 0.36 -0.01 0.28 -1.18 0.00 0.00 179.01 178.49 2diy h VAL 83 N 0.57 0.89 -0.92 0.32 2.07 -1.96 -3.27 116.25 113.95 2diy h VAL 83 Ca 0.48 -1.58 0.26 0.00 0.82 0.00 0.00 66.70 66.68 2diy h VAL 83 Cb 0.74 1.65 -0.15 0.00 -1.52 0.00 0.00 31.29 32.01 2diy h VAL 83 CO -0.40 0.29 0.31 0.28 0.02 0.00 0.00 177.57 178.07 2diy h SER 84 N -0.98 0.11 0.58 0.57 0.02 -1.49 -0.88 113.55 111.47 2diy h SER 84 Ca -0.00 0.20 -0.02 0.00 -0.84 0.00 0.00 61.79 61.13 2diy h SER 84 Cb 0.51 0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.28 2diy h SER 84 CO 0.01 -0.17 -0.50 -0.33 -1.14 0.00 0.00 176.83 174.71 2diy h GLU 85 N 0.22 -1.01 -0.56 3.45 5.08 -1.01 1.52 114.58 122.27 2diy h GLU 85 Ca 0.60 0.07 0.05 0.00 -1.00 0.00 0.00 59.36 59.08 2diy h GLU 85 Cb 1.28 0.23 -0.07 0.00 0.50 0.00 0.00 28.75 30.69 2diy h GLU 85 CO -0.66 -0.68 -0.33 1.17 -1.00 0.00 0.00 179.01 177.51 2diy n LYS 86 N -5.58 -0.25 0.00 2.33 4.81 -0.35 0.19 118.16 119.32 2diy n LYS 86 Ca -0.13 1.13 0.13 0.00 -0.87 0.00 0.00 58.31 58.57 2diy n LYS 86 Cb 0.47 -1.67 0.57 0.00 0.02 0.00 0.00 35.03 34.42 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 -4.32 0.03 -3.41 5.64 4.01 -1.15 -4.92 117.16 113.05 2diy n TYR 87 Ca 0.01 0.01 -0.19 0.00 -0.16 0.00 0.00 57.90 57.57 2diy n TYR 87 Cb 0.15 -0.52 0.07 0.00 -0.31 0.00 0.00 39.34 38.73 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 -1.53 -6.74 -2.44 -0.72 1.02 0.49 -4.89 120.64 105.83 2diy n GLU 88 Ca 0.06 0.74 -0.38 0.00 -0.02 0.00 0.00 57.16 57.56 2diy n GLU 88 Cb 0.32 -5.50 -0.02 0.00 -0.02 0.00 0.00 31.44 26.22 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 -3.29 3.90 -0.62 -3.67 -1.09 0.98 -4.78 121.20 112.62 2diy s ILE 89 Ca 0.37 -1.22 -0.01 0.00 -2.23 0.00 0.00 60.65 57.56 2diy s ILE 89 Cb -0.16 -4.94 0.45 0.00 -1.58 0.00 0.00 42.46 36.23 2diy s ILE 89 CO 0.65 -1.74 1.92 -1.20 -1.23 0.00 0.00 174.94 173.34 2diy n SER 90 N 10.00 7.32 -3.66 3.58 7.64 -1.26 -4.89 113.62 132.36 2diy n SER 90 Ca 0.42 -3.79 -0.12 0.00 1.01 0.00 0.00 58.87 56.40 2diy n SER 90 Cb 0.48 -0.89 -0.08 0.00 -1.01 0.00 0.00 64.21 62.71 2diy n SER 90 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2diy s SER 91 N -2.06 -0.72 0.03 6.43 0.01 -1.26 -5.18 113.70 110.95 2diy s SER 91 Ca 0.63 1.31 -0.07 0.00 1.31 0.00 0.00 55.95 59.12 2diy s SER 91 Cb 0.49 1.28 -0.00 0.00 0.21 0.00 0.00 66.02 68.00 2diy s SER 91 CO -0.01 -0.22 0.14 0.68 0.41 0.00 0.00 173.24 174.23 2diy s VAL 92 N 0.72 0.11 0.79 3.43 -7.23 -1.26 -4.17 120.40 112.79 2diy s VAL 92 Ca -0.03 -0.91 -0.11 0.00 -1.81 0.00 0.00 61.98 59.12 2diy s VAL 92 Cb -0.05 -0.76 0.06 0.00 0.56 0.00 0.00 36.38 36.19 2diy s VAL 92 CO -0.05 -0.50 1.09 -2.16 -0.31 0.00 0.00 175.10 173.17 2diy s PRO 93 N -2.23 2.14 -0.27 4.82 0.04 -1.26 -4.94 135.00 133.30 2diy s PRO 93 Ca -0.08 1.13 -0.19 0.00 0.04 0.00 0.00 61.00 61.90 2diy s PRO 93 Cb -0.03 -1.89 0.08 0.00 0.04 0.00 0.00 34.50 32.70 2diy s PRO 93 CO -0.02 -1.71 0.70 0.99 0.04 0.00 0.00 177.00 176.99 2diy s THR 94 N -2.91 -0.00 0.19 1.26 2.01 -1.24 -3.49 115.64 111.46 2diy s THR 94 Ca 0.61 0.00 0.08 0.00 0.31 0.00 0.00 61.69 62.69 2diy s THR 94 Cb -0.17 -0.99 -0.04 0.00 0.01 0.00 0.00 72.50 71.30 2diy s THR 94 CO 0.56 0.00 0.01 -0.36 -0.69 0.00 0.00 174.62 174.14 2diy s PHE 95 N 1.20 2.83 -0.23 4.92 0.40 -0.82 0.09 117.98 126.38 2diy s PHE 95 Ca -0.07 -0.15 -0.03 0.00 -0.60 0.00 0.00 56.93 56.09 2diy s PHE 95 Cb -0.05 -1.36 0.11 0.00 0.51 0.00 0.00 43.02 42.23 2diy s PHE 95 CO -0.13 0.53 0.26 -0.51 0.70 0.00 0.00 175.22 176.08 2diy s LEU 96 N -3.06 -0.22 -0.16 -0.37 1.43 0.14 -2.74 118.68 113.71 2diy s LEU 96 Ca 0.28 -0.29 -0.28 0.00 -1.03 0.00 0.00 54.13 52.80 2diy s LEU 96 Cb -0.09 0.52 -0.01 0.00 0.03 0.00 0.00 46.19 46.65 2diy s LEU 96 CO 0.19 -0.34 0.97 -0.36 0.23 0.00 0.00 176.35 177.04 2diy s PHE 97 N 2.37 3.44 -0.27 0.29 0.40 -0.57 -0.93 117.98 122.70 2diy s PHE 97 Ca 0.09 1.48 -0.01 0.00 -0.60 0.00 0.00 56.93 57.88 2diy s PHE 97 Cb -0.15 -3.17 0.04 0.00 0.51 0.00 0.00 43.02 40.26 2diy s PHE 97 CO -0.18 -0.30 -0.04 -0.06 0.70 0.00 0.00 175.22 175.34 2diy s PHE 98 N 2.37 3.20 -0.35 0.36 0.08 -0.30 -2.89 117.98 120.45 2diy s PHE 98 Ca 0.45 -1.87 -0.09 0.00 0.12 0.00 0.00 56.93 55.54 2diy s PHE 98 Cb -0.17 -2.05 0.03 0.00 -0.57 0.00 0.00 43.02 40.26 2diy s PHE 98 CO 0.13 -0.80 0.15 0.21 -0.10 0.00 0.00 175.22 174.81 2diy s LYS 99 N 1.24 2.80 -1.14 0.44 2.47 -0.76 -2.46 119.74 122.32 2diy s LYS 99 Ca -0.04 -1.08 -0.07 0.00 -1.56 0.00 0.00 55.97 53.22 2diy s LYS 99 Cb -0.19 -3.57 0.01 0.00 -1.46 0.00 0.00 37.83 32.62 2diy s LYS 99 CO -0.03 -0.64 1.00 0.09 0.16 0.00 0.00 175.35 175.93 2diy n ASN 100 N 4.90 -5.52 -2.68 1.43 4.13 -0.54 -2.27 115.26 114.71 2diy n ASN 100 Ca -0.12 -0.46 -0.19 0.00 1.68 0.00 0.00 54.58 55.48 2diy n ASN 100 Cb 0.46 -4.35 0.04 0.00 -1.54 0.00 0.00 39.78 34.39 2diy n ASN 100 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2diy n SER 101 N -2.35 -5.47 -3.50 6.41 7.64 -1.26 -4.99 113.62 110.10 2diy n SER 101 Ca -0.01 -0.29 -0.11 0.00 1.01 0.00 0.00 58.87 59.48 2diy n SER 101 Cb 0.56 -4.25 -0.10 0.00 -1.01 0.00 0.00 64.21 59.41 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 -5.65 0.29 0.05 1.43 -0.21 -0.96 -5.11 119.66 109.50 2diy s GLN 102 Ca 0.31 0.67 -0.33 0.00 0.02 0.00 0.00 55.36 56.03 2diy s GLN 102 Cb -0.14 -0.27 -0.12 0.00 1.00 0.00 0.00 33.01 33.49 2diy s GLN 102 CO 0.38 -0.48 1.79 1.17 -2.12 0.00 0.00 175.29 176.03 2diy n LYS 103 N 5.36 2.40 -0.01 2.91 4.81 -1.26 -1.83 118.16 130.54 2diy n LYS 103 Ca -0.06 0.87 -0.01 0.00 -0.87 0.00 0.00 58.31 58.25 2diy n LYS 103 Cb 0.50 -2.72 -0.02 0.00 0.02 0.00 0.00 35.03 32.81 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 4.54 0.15 -3.77 3.15 -5.35 -1.14 -4.93 119.36 112.01 2diy n ILE 104 Ca 0.19 -0.09 -0.11 0.00 -0.27 0.00 0.00 62.75 62.47 2diy n ILE 104 Cb 0.32 -0.92 -0.07 0.00 -1.74 0.00 0.00 39.64 37.23 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 -3.26 -0.08 -0.12 7.28 2.15 -1.25 -5.08 116.67 116.31 2diy s ASP 105 Ca -0.01 -0.28 -0.13 0.00 0.43 0.00 0.00 52.55 52.56 2diy s ASP 105 Cb 0.01 0.36 0.03 0.00 -0.30 0.00 0.00 42.92 43.02 2diy s ASP 105 CO 0.09 -0.64 0.36 -0.60 -0.17 0.00 0.00 175.17 174.21 2diy s ARG 106 N -2.80 0.48 -0.14 4.34 3.00 -1.26 -1.52 118.95 121.04 2diy s ARG 106 Ca -0.03 0.38 0.00 0.00 -1.00 0.00 0.00 55.73 55.08 2diy s ARG 106 Cb 0.00 0.23 -0.01 0.00 0.00 0.00 0.00 34.95 35.17 2diy s ARG 106 CO -0.05 -0.08 -0.14 -1.17 0.00 0.00 0.00 175.30 173.86 2diy s LEU 107 N -0.09 2.57 -0.12 -0.88 0.20 -1.11 -5.02 118.68 114.23 2diy s LEU 107 Ca -0.03 -0.41 -0.02 0.00 0.69 0.00 0.00 54.13 54.36 2diy s LEU 107 Cb -0.03 -1.58 -0.03 0.00 -0.43 0.00 0.00 46.19 44.12 2diy s LEU 107 CO 0.01 0.12 -0.03 -0.62 -0.29 0.00 0.00 176.35 175.54 2diy s ASP 108 N 0.60 4.88 0.00 3.68 2.15 -1.26 -1.94 116.67 124.78 2diy s ASP 108 Ca -0.08 -0.04 0.00 0.00 0.43 0.00 0.00 52.55 52.86 2diy s ASP 108 Cb -0.16 -1.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.90 2diy s ASP 108 CO 0.03 0.26 0.00 0.61 -0.17 0.00 0.00 175.17 175.91 2diy n GLY 109 N 2.90 -0.58 3.59 2.66 0.00 -1.23 -4.86 105.19 107.66 2diy n GLY 109 Ca -0.18 -1.40 -0.42 0.00 0.00 0.00 0.00 46.02 44.02 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 -2.01 2.65 -0.08 4.61 0.00 -1.26 -4.86 121.76 120.80 2diy s ALA 110 Ca 0.00 0.20 -0.01 0.00 0.00 0.00 0.00 51.96 52.15 2diy s ALA 110 Cb 0.00 -4.09 0.03 0.00 0.00 0.00 0.00 23.12 19.06 2diy s ALA 110 CO 0.00 -2.98 -0.02 -1.01 0.00 0.00 0.00 175.76 171.75 2diy s HIS 111 N 7.86 0.87 -0.01 0.00 3.76 -1.26 -5.05 115.29 121.46 2diy s HIS 111 Ca 0.83 -0.32 -0.22 0.00 -0.15 0.00 0.00 55.06 55.20 2diy s HIS 111 Cb -0.22 -0.91 -0.12 0.00 1.11 0.00 0.00 32.58 32.43 2diy s HIS 111 CO 0.31 -0.38 0.92 0.00 -0.85 0.00 0.00 174.74 174.74 2diy h ALA 112 N 8.29 -0.80 0.03 -1.40 0.00 -1.99 -3.01 119.26 120.38 2diy h ALA 112 Ca -0.22 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 2diy h ALA 112 Cb 1.13 0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.23 2diy h ALA 112 CO 0.30 -0.74 -0.01 -1.00 0.00 0.00 0.00 179.25 177.79 2diy h PRO 113 N -1.21 -0.04 -1.13 0.00 0.13 -2.00 -3.08 132.00 124.67 2diy h PRO 113 Ca -0.08 0.00 0.32 0.00 -0.87 0.00 0.00 66.00 65.37 2diy h PRO 113 Cb 0.61 0.01 -0.10 0.00 0.13 0.00 0.00 31.00 31.65 2diy h PRO 113 CO 0.13 0.44 0.73 1.49 -0.23 0.00 0.00 178.00 180.56 2diy h GLU 114 N -0.53 0.27 0.51 0.86 4.81 -1.99 -0.76 114.58 117.76 2diy h GLU 114 Ca -0.00 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 2diy h GLU 114 Cb 0.49 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 29.82 2diy h GLU 114 CO 0.01 0.18 -0.25 1.25 -0.73 0.00 0.00 179.01 179.47 2diy h LEU 115 N 0.28 -0.59 -0.75 1.64 5.85 -1.49 -2.89 115.31 117.36 2diy h LEU 115 Ca 0.67 -0.05 0.17 0.00 0.84 0.00 0.00 57.88 59.51 2diy h LEU 115 Cb 1.87 0.15 -0.12 0.00 0.37 0.00 0.00 40.66 42.94 2diy h LEU 115 CO -0.34 -0.19 0.15 0.74 -0.34 0.00 0.00 178.44 178.46 2diy h THR 116 N -1.09 0.46 0.25 1.05 2.02 -1.11 0.52 112.91 115.01 2diy h THR 116 Ca -0.07 -0.08 0.01 0.00 0.77 0.00 0.00 66.41 67.04 2diy h THR 116 Cb 0.60 0.21 -0.04 0.00 -1.74 0.00 0.00 68.15 67.18 2diy h THR 116 CO 0.12 0.04 -0.47 0.11 0.37 0.00 0.00 175.52 175.68 2diy h LYS 117 N 0.22 -0.76 -0.85 6.66 1.57 -1.26 0.22 116.57 122.36 2diy h LYS 117 Ca 0.43 0.05 0.07 0.00 -1.87 0.00 0.00 60.65 59.33 2diy h LYS 117 Cb 0.75 0.17 -0.06 0.00 0.08 0.00 0.00 32.23 33.18 2diy h LYS 117 CO -0.56 -0.51 0.55 0.87 -0.57 0.00 0.00 179.45 179.24 2diy h LYS 118 N -0.79 0.89 0.04 3.15 1.57 -1.11 0.10 116.57 120.42 2diy h LYS 118 Ca -0.01 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2diy h LYS 118 Cb 0.76 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.87 2diy h LYS 118 CO -0.19 0.59 -0.02 0.28 -0.57 0.00 0.00 179.45 179.53 2diy h VAL 119 N 0.91 1.07 -0.06 0.50 2.07 -0.11 -2.26 116.25 118.38 2diy h VAL 119 Ca 0.37 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 2diy h VAL 119 Cb 0.27 1.29 -0.00 0.00 -1.52 0.00 0.00 31.29 31.33 2diy h VAL 119 CO -0.14 0.09 0.01 1.56 0.02 0.00 0.00 177.57 179.11 2diy h GLN 120 N -0.21 0.10 -0.32 1.57 4.20 -0.11 0.40 115.11 120.74 2diy h GLN 120 Ca -0.01 -0.02 0.06 0.00 0.06 0.00 0.00 58.65 58.74 2diy h GLN 120 Cb 0.19 -0.01 -0.08 0.00 0.30 0.00 0.00 27.48 27.87 2diy h GLN 120 CO 0.01 0.30 -0.44 -0.09 -0.67 0.00 0.00 178.83 177.93 2diy h ARG 121 N -0.12 -0.37 -0.08 1.46 2.43 -0.80 -1.47 114.38 115.43 2diy h ARG 121 Ca 0.02 0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 2diy h ARG 121 Cb 0.24 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.88 2diy h ARG 121 CO 0.00 -0.25 -0.07 0.45 -1.51 0.00 0.00 179.97 178.59 2diy h HIS 122 N -0.39 0.23 -0.97 2.20 3.86 -1.41 -3.20 115.15 115.48 2diy h HIS 122 Ca 0.11 -0.07 0.30 0.00 -1.16 0.00 0.00 60.37 59.55 2diy h HIS 122 Cb 0.60 -0.05 -0.18 0.00 1.06 0.00 0.00 27.41 28.84 2diy h HIS 122 CO -0.60 0.61 0.13 0.00 0.86 0.00 0.00 177.93 178.93 2diy n ALA 123 N -2.38 0.60 -3.49 2.45 0.00 0.14 -4.63 120.51 113.21 2diy n ALA 123 Ca -0.07 1.03 -0.15 0.00 0.00 0.00 0.00 53.44 54.25 2diy n ALA 123 Cb 0.30 -0.81 -0.04 0.00 0.00 0.00 0.00 19.45 18.90 2diy n ALA 123 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2diy s SER 124 N -4.91 -0.60 0.30 0.00 1.04 -0.59 -4.98 113.70 103.96 2diy s SER 124 Ca -0.12 0.44 0.07 0.00 0.48 0.00 0.00 55.95 56.81 2diy s SER 124 Cb 0.29 0.54 -0.02 0.00 0.10 0.00 0.00 66.02 66.93 2diy s SER 124 CO 0.76 -0.71 0.35 -0.55 0.98 0.00 0.00 173.24 174.07 2diy s SER 125 N -1.75 5.79 0.00 7.02 0.15 -1.26 -4.39 113.70 119.26 2diy s SER 125 Ca -0.06 -0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.37 2diy s SER 125 Cb -0.00 -1.33 0.00 0.00 -1.71 0.00 0.00 66.02 62.98 2diy s SER 125 CO 0.01 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 174.80 2diy n GLY 126 N -1.44 -0.59 3.62 9.45 0.00 -1.26 -4.93 105.19 110.04 2diy n GLY 126 Ca -0.04 -1.54 -0.43 0.00 0.00 0.00 0.00 46.02 44.02 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 0.00 3.63 0.32 1.61 0.04 -1.26 -4.96 135.00 134.38 2diy s PRO 127 Ca 0.00 1.51 -0.29 0.00 0.04 0.00 0.00 61.00 62.26 2diy s PRO 127 Cb 0.00 -4.08 -0.11 0.00 0.04 0.00 0.00 34.50 30.35 2diy s PRO 127 CO 0.00 -1.50 1.53 0.45 0.04 0.00 0.00 177.00 177.53 2diy s SER 128 N 4.77 6.39 -0.33 6.66 0.15 -1.26 -4.99 113.70 125.09 2diy s SER 128 Ca 0.73 2.96 -0.01 0.00 0.70 0.00 0.00 55.95 60.33 2diy s SER 128 Cb -0.23 -2.65 0.11 0.00 -1.71 0.00 0.00 66.02 61.54 2diy s SER 128 CO 0.31 -0.87 0.14 -0.55 1.20 0.00 0.00 173.24 173.47 2diy s SER 129 N 0.21 3.74 0.00 5.45 0.15 -1.26 -5.31 113.70 116.68 2diy s SER 129 Ca 0.59 -1.76 0.00 0.00 0.70 0.00 0.00 55.95 55.48 2diy s SER 129 Cb -0.47 -0.71 0.00 0.00 -1.71 0.00 0.00 66.02 63.13 2diy s SER 129 CO 0.54 -0.39 0.00 0.61 1.20 0.00 0.00 173.24 175.20