#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 6.98 0.15 1.61 0.01 -1.26 -4.98 113.70 116.21 2diy s SER 2 Ca 0.00 -2.77 0.05 0.00 1.31 0.00 0.00 55.95 54.54 2diy s SER 2 Cb 0.00 -2.46 -0.04 0.00 0.21 0.00 0.00 66.02 63.74 2diy s SER 2 CO 0.00 -0.90 0.13 -0.55 0.41 0.00 0.00 173.24 172.34 2diy s SER 3 N 3.32 5.56 0.00 2.44 0.15 -1.26 -5.00 113.70 118.91 2diy s SER 3 Ca 0.46 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 57.01 2diy s SER 3 Cb -0.01 -1.47 0.00 0.00 -1.71 0.00 0.00 66.02 62.83 2diy s SER 3 CO 0.02 0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.15 2diy n GLY 4 N -0.24 -0.33 3.36 9.45 0.00 -1.26 -4.91 105.19 111.27 2diy n GLY 4 Ca -0.08 -1.19 -0.09 0.00 0.00 0.00 0.00 46.02 44.65 2diy n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2diy s SER 5 N -4.00 -0.62 0.11 1.61 0.01 -1.26 -5.17 113.70 104.38 2diy s SER 5 Ca 0.00 1.05 -0.20 0.00 1.31 0.00 0.00 55.95 58.11 2diy s SER 5 Cb 0.00 0.94 0.05 0.00 0.21 0.00 0.00 66.02 67.22 2diy s SER 5 CO 0.00 -0.21 0.49 -0.55 0.41 0.00 0.00 173.24 173.38 2diy s SER 6 N 1.50 -0.38 -0.30 2.44 0.15 -1.26 -5.16 113.70 110.68 2diy s SER 6 Ca -0.09 -0.07 -0.18 0.00 0.70 0.00 0.00 55.95 56.30 2diy s SER 6 Cb -0.08 0.51 0.19 0.00 -1.71 0.00 0.00 66.02 64.93 2diy s SER 6 CO -0.15 -0.83 1.21 -0.83 1.20 0.00 0.00 173.24 173.85 2diy s GLY 7 N -2.50 0.16 0.75 9.45 0.00 -1.26 -5.16 107.32 108.77 2diy s GLY 7 Ca -0.00 3.50 -0.16 0.00 0.00 0.00 0.00 44.72 48.06 2diy s GLY 7 CO -0.09 3.37 0.41 1.15 0.00 0.00 0.00 173.10 177.94 2diy n MET 8 N 4.68 0.20 -0.65 2.90 0.00 -1.26 -4.91 117.12 118.07 2diy n MET 8 Ca -0.07 0.10 -0.31 0.00 0.00 0.00 0.00 57.70 57.43 2diy n MET 8 Cb 0.55 -1.75 0.18 0.00 0.00 0.00 0.00 33.22 32.20 2diy n MET 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2diy n ALA 9 N -2.49 -1.26 -1.75 3.17 0.00 -1.26 -4.96 120.51 111.96 2diy n ALA 9 Ca 0.09 -0.65 -0.34 0.00 0.00 0.00 0.00 53.44 52.53 2diy n ALA 9 Cb 0.50 -2.14 -0.01 0.00 0.00 0.00 0.00 19.45 17.81 2diy n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2diy s ALA 10 N -2.59 2.76 0.00 0.00 0.00 -1.26 -4.80 121.76 115.87 2diy s ALA 10 Ca 0.66 0.66 0.00 0.00 0.00 0.00 0.00 51.96 53.29 2diy s ALA 10 Cb -0.23 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.59 2diy s ALA 10 CO 0.60 -0.62 0.00 0.41 0.00 0.00 0.00 175.76 176.15 2diy n GLY 11 N -0.20 0.55 3.45 0.00 0.00 -1.26 -4.98 105.19 102.75 2diy n GLY 11 Ca 0.10 -0.91 -0.44 0.00 0.00 0.00 0.00 46.02 44.77 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 -1.20 3.56 -0.29 4.61 0.00 -1.26 -4.91 121.76 122.27 2diy s ALA 12 Ca 0.00 -2.94 -0.16 0.00 0.00 0.00 0.00 51.96 48.86 2diy s ALA 12 Cb 0.00 -4.05 0.17 0.00 0.00 0.00 0.00 23.12 19.24 2diy s ALA 12 CO 0.00 -2.90 1.09 0.00 0.00 0.00 0.00 175.76 173.95 2diy s ALA 13 N 2.29 -2.48 -0.01 0.00 0.00 -1.26 -5.12 121.76 115.18 2diy s ALA 13 Ca 0.35 2.10 -0.19 0.00 0.00 0.00 0.00 51.96 54.22 2diy s ALA 13 Cb -0.04 -1.85 0.04 0.00 0.00 0.00 0.00 23.12 21.26 2diy s ALA 13 CO -0.07 -0.40 0.41 -2.00 0.00 0.00 0.00 175.76 173.70 2diy s GLU 14 N 1.33 0.81 -0.19 0.00 2.12 -1.26 -5.08 118.70 116.42 2diy s GLU 14 Ca -0.08 -0.14 -0.01 0.00 0.36 0.00 0.00 54.97 55.09 2diy s GLU 14 Cb -0.03 0.37 0.00 0.00 0.26 0.00 0.00 34.13 34.73 2diy s GLU 14 CO -0.13 -0.25 -0.12 0.00 -0.54 0.00 0.00 175.26 174.22 2diy s ALA 15 N -1.59 2.58 -0.12 6.30 0.00 -1.26 -5.10 121.76 122.57 2diy s ALA 15 Ca -0.11 -1.16 0.01 0.00 0.00 0.00 0.00 51.96 50.70 2diy s ALA 15 Cb -0.03 -1.41 0.02 0.00 0.00 0.00 0.00 23.12 21.70 2diy s ALA 15 CO 0.04 -0.31 -0.12 0.00 0.00 0.00 0.00 175.76 175.37 2diy s ALA 16 N 1.26 1.56 -0.17 0.00 0.00 -1.26 -5.12 121.76 118.03 2diy s ALA 16 Ca 0.03 -0.68 -0.04 0.00 0.00 0.00 0.00 51.96 51.27 2diy s ALA 16 Cb -0.14 -0.90 -0.03 0.00 0.00 0.00 0.00 23.12 22.05 2diy s ALA 16 CO -0.06 -0.28 -0.03 0.08 0.00 0.00 0.00 175.76 175.47 2diy s VAL 17 N 1.38 3.92 -0.36 0.00 1.01 -1.26 -5.00 120.40 120.08 2diy s VAL 17 Ca 0.01 -0.34 -0.02 0.00 0.00 0.00 0.00 61.98 61.62 2diy s VAL 17 Cb -0.13 -2.73 0.15 0.00 0.00 0.00 0.00 36.38 33.67 2diy s VAL 17 CO -0.06 0.48 2.33 0.00 0.00 0.00 0.00 175.10 177.84 2diy n ALA 18 N 3.72 5.64 -2.50 5.51 0.00 -1.26 -4.89 120.51 126.73 2diy n ALA 18 Ca -0.17 -2.18 -0.23 0.00 0.00 0.00 0.00 53.44 50.86 2diy n ALA 18 Cb 0.52 -1.68 -0.12 0.00 0.00 0.00 0.00 19.45 18.18 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 -1.73 1.90 0.04 0.00 0.00 -1.26 -4.36 121.76 116.34 2diy s ALA 19 Ca 0.42 -1.36 -0.30 0.00 0.00 0.00 0.00 51.96 50.72 2diy s ALA 19 Cb 0.30 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 2diy s ALA 19 CO -0.08 0.31 1.03 0.08 0.00 0.00 0.00 175.76 177.10 2diy s VAL 20 N -1.56 4.58 0.63 0.00 1.01 -1.26 -4.89 120.40 118.91 2diy s VAL 20 Ca 0.11 1.90 -0.13 0.00 0.00 0.00 0.00 61.98 63.86 2diy s VAL 20 Cb -0.08 -4.22 -0.03 0.00 0.00 0.00 0.00 36.38 32.05 2diy s VAL 20 CO 0.05 0.18 1.04 -1.61 0.00 0.00 0.00 175.10 174.76 2diy s GLU 21 N 0.81 3.32 -0.25 2.72 0.41 -1.11 -4.92 118.70 119.68 2diy s GLU 21 Ca 0.53 0.97 -0.04 0.00 -0.41 0.00 0.00 54.97 56.01 2diy s GLU 21 Cb -0.24 -2.04 0.01 0.00 -1.78 0.00 0.00 34.13 30.08 2diy s GLU 21 CO 0.29 -0.79 -0.01 -1.21 -0.49 0.00 0.00 175.26 173.05 2diy s GLU 22 N -4.70 3.10 -0.37 1.61 2.02 -1.26 -2.88 118.70 116.21 2diy s GLU 22 Ca 0.59 -0.82 -0.08 0.00 0.02 0.00 0.00 54.97 54.67 2diy s GLU 22 Cb -0.13 -3.12 0.05 0.00 0.10 0.00 0.00 34.13 31.03 2diy s GLU 22 CO 0.47 -0.35 0.18 0.08 0.02 0.00 0.00 175.26 175.66 2diy s VAL 23 N 1.43 4.05 -0.39 2.63 1.01 -1.19 -4.95 120.40 122.99 2diy s VAL 23 Ca 0.03 -1.21 0.05 0.00 0.00 0.00 0.00 61.98 60.85 2diy s VAL 23 Cb -0.16 -3.37 0.47 0.00 0.00 0.00 0.00 36.38 33.32 2diy s VAL 23 CO -0.02 -0.32 1.48 0.61 0.00 0.00 0.00 175.10 176.85 2diy n GLY 24 N 4.87 5.90 3.59 4.51 0.00 -1.26 -4.18 105.19 118.62 2diy n GLY 24 Ca -0.11 -2.21 -0.06 0.00 0.00 0.00 0.00 46.02 43.64 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 -2.88 -0.20 0.13 1.61 1.04 -1.26 -4.87 113.70 107.26 2diy s SER 25 Ca 0.53 0.11 -0.12 0.00 0.48 0.00 0.00 55.95 56.95 2diy s SER 25 Cb 0.44 0.19 -0.07 0.00 0.10 0.00 0.00 66.02 66.68 2diy s SER 25 CO 0.02 -0.26 1.44 0.00 0.98 0.00 0.00 173.24 175.42 2diy h ALA 26 N 2.16 0.50 -0.84 5.32 0.00 -1.94 -3.05 119.26 121.41 2diy h ALA 26 Ca -0.13 -0.45 0.02 0.00 0.00 0.00 0.00 54.91 54.36 2diy h ALA 26 Cb 1.18 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 2diy h ALA 26 CO 0.26 0.60 0.55 0.78 0.00 0.00 0.00 179.25 181.44 2diy h GLY 27 N 0.65 1.21 0.96 0.00 0.00 -1.98 0.41 103.07 104.33 2diy h GLY 27 Ca 0.05 -0.42 -0.02 0.00 0.00 0.00 0.00 47.33 46.94 2diy h GLY 27 CO 0.09 0.38 -0.18 -1.61 0.00 0.00 0.00 176.54 175.22 2diy h GLN 28 N 1.09 -0.49 0.71 4.80 4.15 -1.96 0.28 115.11 123.69 2diy h GLN 28 Ca 0.33 0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.74 2diy h GLN 28 Cb -0.04 0.11 0.01 0.00 0.21 0.00 0.00 27.48 27.76 2diy h GLN 28 CO -0.10 -0.30 -0.34 0.35 -1.93 0.00 0.00 178.83 176.51 2diy h PHE 29 N -0.55 -0.89 -1.01 3.99 3.57 -1.41 -1.09 116.94 119.55 2diy h PHE 29 Ca -0.05 -0.02 0.27 0.00 3.53 0.00 0.00 57.97 61.70 2diy h PHE 29 Cb 0.42 0.29 -0.13 0.00 2.79 0.00 0.00 35.95 39.32 2diy h PHE 29 CO -0.04 -0.55 0.60 0.93 -2.23 0.00 0.00 178.31 177.02 2diy h GLU 30 N -1.01 0.48 0.31 1.11 5.08 -0.98 -0.45 114.58 119.11 2diy h GLU 30 Ca -0.10 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 2diy h GLU 30 Cb 0.74 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.88 2diy h GLU 30 CO 0.16 0.32 -0.15 1.49 -1.00 0.00 0.00 179.01 179.83 2diy h GLU 31 N 0.49 -0.40 -0.43 2.33 4.81 -0.76 -3.17 114.58 117.45 2diy h GLU 31 Ca 0.67 0.03 0.09 0.00 -0.13 0.00 0.00 59.36 60.02 2diy h GLU 31 Cb 1.39 0.09 -0.09 0.00 0.63 0.00 0.00 28.75 30.77 2diy h GLU 31 CO -0.49 -0.15 -0.21 1.25 -0.73 0.00 0.00 179.01 178.67 2diy h LEU 32 N -0.60 -0.71 -0.71 1.64 5.85 0.23 -0.57 115.31 120.43 2diy h LEU 32 Ca -0.04 0.16 0.30 0.00 0.84 0.00 0.00 57.88 59.14 2diy h LEU 32 Cb 0.44 0.38 -0.13 0.00 0.37 0.00 0.00 40.66 41.72 2diy h LEU 32 CO 0.07 -0.24 0.38 0.18 -0.34 0.00 0.00 178.44 178.50 2diy n LEU 33 N -5.39 0.25 0.21 2.25 4.77 -0.73 0.20 117.00 118.56 2diy n LEU 33 Ca 0.03 1.18 -0.09 0.00 -0.03 0.00 0.00 56.01 57.10 2diy n LEU 33 Cb 0.30 -0.58 -0.04 0.00 -2.33 0.00 0.00 43.42 40.77 2diy n LEU 33 CO 0.10 -1.33 0.25 0.03 -1.33 0.00 0.00 177.39 175.11 2diy h ARG 34 N 0.00 -0.56 -0.15 3.23 3.08 -1.20 -2.42 114.38 116.36 2diy h ARG 34 Ca 0.61 0.04 0.05 0.00 0.07 0.00 0.00 59.98 60.74 2diy h ARG 34 Cb 1.60 0.13 -0.06 0.00 0.08 0.00 0.00 29.97 31.72 2diy h ARG 34 CO -0.55 -0.38 -0.24 -0.07 -1.07 0.00 0.00 179.97 177.67 2diy h LEU 35 N -1.08 -0.73 -3.72 3.04 3.38 -0.20 -1.43 115.31 114.56 2diy h LEU 35 Ca -0.06 0.12 -0.38 0.00 0.09 0.00 0.00 57.88 57.65 2diy h LEU 35 Cb 0.45 0.33 -0.15 0.00 0.09 0.00 0.00 40.66 41.38 2diy h LEU 35 CO 0.10 -0.28 0.43 0.29 0.09 0.00 0.00 178.44 179.06 2diy n LYS 36 N -5.36 1.97 -0.02 1.13 4.76 0.11 -4.41 118.16 116.34 2diy n LYS 36 Ca -0.02 -1.81 -0.16 0.00 -2.87 0.00 0.00 58.31 53.45 2diy n LYS 36 Cb 0.28 -1.76 -0.13 0.00 -1.84 0.00 0.00 35.03 31.58 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 1.82 -0.03 -0.19 7.82 0.00 -0.73 -3.35 119.26 124.60 2diy h ALA 37 Ca 0.33 -0.57 0.03 0.00 0.00 0.00 0.00 54.91 54.70 2diy h ALA 37 Cb 0.87 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 2diy h ALA 37 CO 0.82 0.15 0.01 0.87 0.00 0.00 0.00 179.25 181.10 2diy h LYS 38 N -0.69 0.08 -7.68 0.00 1.79 -1.80 0.92 116.57 109.19 2diy h LYS 38 Ca -0.06 -0.00 -0.45 0.00 -2.18 0.00 0.00 60.65 57.96 2diy h LYS 38 Cb 1.24 -0.02 0.14 0.00 -1.58 0.00 0.00 32.23 32.01 2diy h LYS 38 CO 0.06 0.05 0.37 -1.12 -1.08 0.00 0.00 179.45 177.74 2diy s SER 39 N -5.25 3.31 -0.16 0.86 0.01 -1.26 -4.73 113.70 106.50 2diy s SER 39 Ca -0.13 0.54 -0.20 0.00 1.31 0.00 0.00 55.95 57.46 2diy s SER 39 Cb 0.10 -0.80 -0.03 0.00 0.21 0.00 0.00 66.02 65.50 2diy s SER 39 CO 0.69 -2.63 0.60 -0.22 0.41 0.00 0.00 173.24 172.08 2diy s LEU 40 N -5.94 4.20 0.06 2.44 2.96 -1.25 -4.41 118.68 116.75 2diy s LEU 40 Ca 0.69 0.88 0.03 0.00 -0.22 0.00 0.00 54.13 55.50 2diy s LEU 40 Cb -0.08 -2.87 -0.04 0.00 0.50 0.00 0.00 46.19 43.71 2diy s LEU 40 CO 0.52 -0.18 0.07 -0.22 -1.32 0.00 0.00 176.35 175.22 2diy s LEU 41 N 1.41 3.76 -0.17 -0.68 2.96 -1.02 -0.48 118.68 124.46 2diy s LEU 41 Ca 0.29 -0.01 -0.04 0.00 -0.22 0.00 0.00 54.13 54.16 2diy s LEU 41 Cb -0.16 -2.39 0.06 0.00 0.50 0.00 0.00 46.19 44.19 2diy s LEU 41 CO 0.12 0.19 0.07 -0.69 -1.32 0.00 0.00 176.35 174.72 2diy s VAL 42 N -1.33 0.10 -0.55 1.68 1.01 -0.23 -2.05 120.40 119.02 2diy s VAL 42 Ca 0.27 -0.24 -0.16 0.00 0.00 0.00 0.00 61.98 61.85 2diy s VAL 42 Cb -0.12 -0.68 0.13 0.00 0.00 0.00 0.00 36.38 35.71 2diy s VAL 42 CO 0.20 -0.22 0.52 -0.69 0.00 0.00 0.00 175.10 174.91 2diy s VAL 43 N 2.05 5.20 -0.05 2.92 1.01 -0.90 -1.16 120.40 129.47 2diy s VAL 43 Ca 0.01 -1.51 -0.21 0.00 0.00 0.00 0.00 61.98 60.27 2diy s VAL 43 Cb -0.16 -4.35 -0.04 0.00 0.00 0.00 0.00 36.38 31.82 2diy s VAL 43 CO -0.08 -0.89 0.61 -2.28 0.00 0.00 0.00 175.10 172.46 2diy s HIS 44 N 1.61 3.61 -0.58 5.22 5.65 -0.40 -1.29 115.29 129.11 2diy s HIS 44 Ca 0.04 1.16 -0.21 0.00 0.25 0.00 0.00 55.06 56.29 2diy s HIS 44 Cb -0.29 -2.67 0.06 0.00 -1.18 0.00 0.00 32.58 28.50 2diy s HIS 44 CO 0.03 0.21 0.82 -0.06 -0.65 0.00 0.00 174.74 175.09 2diy s PHE 45 N 0.35 2.86 -0.14 3.88 0.40 0.11 -1.12 117.98 124.33 2diy s PHE 45 Ca 0.33 -0.47 -0.09 0.00 -0.60 0.00 0.00 56.93 56.09 2diy s PHE 45 Cb -0.17 -3.98 -0.05 0.00 0.51 0.00 0.00 43.02 39.33 2diy s PHE 45 CO 0.16 -1.35 0.18 1.67 0.70 0.00 0.00 175.22 176.59 2diy s TRP 46 N 3.42 3.54 0.04 0.36 1.48 -0.85 -3.54 118.94 123.38 2diy s TRP 46 Ca 0.21 0.52 0.08 0.00 -1.06 0.00 0.00 56.10 55.85 2diy s TRP 46 Cb -0.18 -2.08 -0.03 0.00 -1.16 0.00 0.00 33.47 30.03 2diy s TRP 46 CO 0.12 0.55 -0.23 0.00 -4.06 0.00 0.00 176.95 173.33 2diy s ALA 47 N -0.47 1.98 0.15 2.67 0.00 -1.26 -3.60 121.76 121.22 2diy s ALA 47 Ca 0.14 -1.14 -0.11 0.00 0.00 0.00 0.00 51.96 50.86 2diy s ALA 47 Cb -0.12 -0.41 -0.03 0.00 0.00 0.00 0.00 23.12 22.55 2diy s ALA 47 CO 0.03 0.46 1.48 -1.00 0.00 0.00 0.00 175.76 176.73 2diy h PRO 48 N 4.92 0.94 0.07 0.00 0.13 -2.01 -3.30 132.00 132.75 2diy h PRO 48 Ca -0.44 -0.49 -0.00 0.00 -0.87 0.00 0.00 66.00 64.20 2diy h PRO 48 Cb 1.15 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2diy h PRO 48 CO 0.44 1.15 -0.03 0.11 -0.23 0.00 0.00 178.00 179.44 2diy h TRP 49 N 0.77 -0.08 -2.65 1.56 5.08 -2.05 -3.42 115.95 115.15 2diy h TRP 49 Ca 0.06 -0.00 -0.57 0.00 1.08 0.00 0.00 58.89 59.46 2diy h TRP 49 Cb 0.98 0.03 -0.02 0.00 -3.00 0.00 0.00 29.16 27.14 2diy h TRP 49 CO 0.06 0.44 1.23 0.00 -1.28 0.00 0.00 178.44 178.90 2diy s ALA 50 N -3.90 3.05 -0.94 0.11 0.00 -1.24 -4.85 121.76 113.99 2diy s ALA 50 Ca -0.15 0.43 0.15 0.00 0.00 0.00 0.00 51.96 52.39 2diy s ALA 50 Cb 0.01 -3.95 0.65 0.00 0.00 0.00 0.00 23.12 19.83 2diy s ALA 50 CO 0.61 -2.32 1.48 -0.35 0.00 0.00 0.00 175.76 175.18 2diy n PRO 51 N 8.12 0.02 -0.04 0.00 -0.04 -1.26 -3.18 135.00 138.61 2diy n PRO 51 Ca 0.22 0.28 -0.11 0.00 -0.04 0.00 0.00 63.50 63.85 2diy n PRO 51 Cb 0.46 -1.54 -0.04 0.00 -0.04 0.00 0.00 33.50 32.33 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 0.25 -1.02 0.54 7.50 -1.90 -2.74 115.11 117.73 2diy h GLN 52 Ca 0.00 -0.03 0.37 0.00 0.50 0.00 0.00 58.65 59.49 2diy h GLN 52 Cb 0.26 -0.05 -0.12 0.00 0.05 0.00 0.00 27.48 27.62 2diy h GLN 52 CO 0.00 0.27 0.63 0.00 -1.50 0.00 0.00 178.83 178.23 2diy n ALA 54 N -2.50 -0.31 -0.29 0.00 0.00 -1.03 -0.36 120.51 116.01 2diy n ALA 54 Ca 0.32 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.93 2diy n ALA 54 Cb 1.20 0.18 0.33 0.00 0.00 0.00 0.00 19.45 21.16 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 -2.34 -0.06 0.34 0.00 1.13 0.02 -0.15 117.38 116.32 2diy n GLN 55 Ca 0.00 1.27 -0.15 0.00 -1.94 0.00 0.00 57.00 56.17 2diy n GLN 55 Cb 0.00 -2.08 -0.08 0.00 0.11 0.00 0.00 30.24 28.19 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 -0.86 -1.19 -1.09 2.86 -1.38 -2.23 114.93 111.05 2diy h MET 56 Ca 0.59 0.06 0.44 0.00 -2.06 0.00 0.00 59.70 58.73 2diy h MET 56 Cb 1.33 0.19 -0.16 0.00 0.06 0.00 0.00 31.60 33.03 2diy h MET 56 CO -0.77 -0.54 0.71 -2.95 1.06 0.00 0.00 176.91 174.42 2diy h ASN 57 N -1.14 0.27 0.14 1.22 -1.07 0.24 0.41 115.58 115.65 2diy h ASN 57 Ca -0.09 0.21 -0.01 0.00 0.07 0.00 0.00 56.30 56.48 2diy h ASN 57 Cb 0.72 0.21 0.00 0.00 -2.07 0.00 0.00 38.32 37.18 2diy h ASN 57 CO 0.15 -0.34 -0.07 -0.33 0.07 0.00 0.00 177.43 176.91 2diy h GLU 58 N 0.02 -0.18 -0.77 4.14 5.08 -1.22 -2.60 114.58 119.05 2diy h GLU 58 Ca 0.86 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 59.33 2diy h GLU 58 Cb 2.51 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 31.73 2diy h GLU 58 CO -0.62 0.28 0.41 0.28 -1.00 0.00 0.00 179.01 178.36 2diy h VAL 59 N -0.78 0.87 0.53 3.13 2.07 0.27 -2.59 116.25 119.75 2diy h VAL 59 Ca -0.02 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 2diy h VAL 59 Cb 0.54 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 2diy h VAL 59 CO 0.03 0.13 -0.26 0.24 0.02 0.00 0.00 177.57 177.72 2diy h MET 60 N 0.69 -0.70 -0.99 1.57 2.86 -0.70 -2.16 114.93 115.51 2diy h MET 60 Ca 0.38 0.05 0.18 0.00 -2.06 0.00 0.00 59.70 58.25 2diy h MET 60 Cb 0.37 0.16 -0.18 0.00 0.06 0.00 0.00 31.60 32.01 2diy h MET 60 CO -0.26 -0.47 -0.29 0.00 1.06 0.00 0.00 176.91 176.95 2diy n ALA 61 N -2.42 0.12 -0.29 6.32 0.00 -0.98 0.99 120.51 124.26 2diy n ALA 61 Ca -0.12 1.06 -0.06 0.00 0.00 0.00 0.00 53.44 54.32 2diy n ALA 61 Cb 0.30 -0.59 0.07 0.00 0.00 0.00 0.00 19.45 19.23 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 1.20 -0.57 0.00 5.08 -1.36 -2.66 114.58 116.27 2diy h GLU 62 Ca 0.43 -0.22 -0.06 0.00 -1.00 0.00 0.00 59.36 58.51 2diy h GLU 62 Cb 0.68 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 2diy h GLU 62 CO -1.01 0.97 0.11 -0.07 -1.00 0.00 0.00 179.01 178.01 2diy h LEU 63 N 1.17 0.86 -0.11 1.33 3.38 0.13 -1.47 115.31 120.59 2diy h LEU 63 Ca 0.27 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 58.09 2diy h LEU 63 Cb 0.22 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.68 2diy h LEU 63 CO -0.02 0.86 -0.52 0.00 0.09 0.00 0.00 178.44 178.85 2diy h ALA 64 N 1.25 -0.84 -0.07 1.53 0.00 0.01 0.24 119.26 121.38 2diy h ALA 64 Ca 0.18 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2diy h ALA 64 Cb 0.36 0.95 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 2diy h ALA 64 CO 0.01 -1.06 -0.01 1.57 0.00 0.00 0.00 179.25 179.75 2diy h LYS 65 N -0.59 0.14 -0.73 0.00 2.10 -1.56 -3.15 116.57 112.78 2diy h LYS 65 Ca 0.04 -0.05 0.17 0.00 -2.00 0.00 0.00 60.65 58.80 2diy h LYS 65 Cb 0.68 -0.01 -0.12 0.00 -0.90 0.00 0.00 32.23 31.88 2diy h LYS 65 CO -0.41 0.45 0.04 1.49 -2.00 0.00 0.00 179.45 179.01 2diy h GLU 66 N -0.18 0.13 -3.83 0.07 4.57 -0.97 -3.25 114.58 111.11 2diy h GLU 66 Ca 0.02 -0.01 -0.68 0.00 -1.18 0.00 0.00 59.36 57.51 2diy h GLU 66 Cb 0.39 -0.03 -0.36 0.00 -0.16 0.00 0.00 28.75 28.59 2diy h GLU 66 CO 0.01 0.09 -0.47 -0.51 -1.18 0.00 0.00 179.01 176.94 2diy s LEU 67 N -10.74 5.06 0.31 1.64 1.43 0.82 -4.92 118.68 112.28 2diy s LEU 67 Ca -0.13 -2.65 0.25 0.00 -1.03 0.00 0.00 54.13 50.57 2diy s LEU 67 Cb 0.22 -1.80 1.06 0.00 0.03 0.00 0.00 46.19 45.70 2diy s LEU 67 CO 0.75 -0.39 1.76 1.55 0.23 0.00 0.00 176.35 180.26 2diy h PRO 68 N 7.21 0.00 -0.83 1.29 0.13 -1.63 -2.72 132.00 135.46 2diy h PRO 68 Ca -0.05 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.87 2diy h PRO 68 Cb 0.97 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.97 2diy h PRO 68 CO 0.69 0.00 0.26 0.00 -0.23 0.00 0.00 178.00 178.73 2diy n GLN 69 N -2.39 3.10 -4.48 0.86 0.00 -1.26 -4.88 117.38 108.33 2diy n GLN 69 Ca 0.02 -2.49 -0.20 0.00 0.00 0.00 0.00 57.00 54.32 2diy n GLN 69 Cb 0.24 -2.04 -0.15 0.00 0.00 0.00 0.00 30.24 28.29 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 -2.55 0.87 -0.43 -0.39 1.01 -1.03 -3.91 120.40 113.99 2diy s VAL 70 Ca 0.45 -0.46 -0.11 0.00 0.00 0.00 0.00 61.98 61.86 2diy s VAL 70 Cb 0.36 -0.74 0.07 0.00 0.00 0.00 0.00 36.38 36.08 2diy s VAL 70 CO 0.11 0.25 0.29 -0.44 0.00 0.00 0.00 175.10 175.31 2diy s SER 71 N -0.19 5.78 -0.27 3.32 0.01 0.37 -4.97 113.70 117.76 2diy s SER 71 Ca 0.03 -1.42 -0.15 0.00 1.31 0.00 0.00 55.95 55.72 2diy s SER 71 Cb -0.05 -2.04 -0.04 0.00 0.21 0.00 0.00 66.02 64.10 2diy s SER 71 CO -0.00 -0.56 0.38 -0.36 0.41 0.00 0.00 173.24 173.11 2diy s PHE 72 N 1.49 3.25 -0.04 2.43 0.08 -1.26 -1.07 117.98 122.86 2diy s PHE 72 Ca 0.03 0.42 0.01 0.00 0.12 0.00 0.00 56.93 57.52 2diy s PHE 72 Cb -0.23 -2.57 0.02 0.00 -0.57 0.00 0.00 43.02 39.67 2diy s PHE 72 CO 0.04 -0.22 -0.05 0.14 -0.10 0.00 0.00 175.22 175.03 2diy s VAL 73 N 2.03 0.55 -0.16 -0.44 -7.23 -0.31 -2.73 120.40 112.11 2diy s VAL 73 Ca 0.15 -0.14 -0.04 0.00 -1.81 0.00 0.00 61.98 60.14 2diy s VAL 73 Cb -0.16 -0.57 -0.03 0.00 0.56 0.00 0.00 36.38 36.19 2diy s VAL 73 CO 0.10 0.22 -0.02 -1.59 -0.31 0.00 0.00 175.10 173.50 2diy s LYS 74 N 0.84 3.71 -0.02 4.82 -2.85 -1.14 -1.27 119.74 123.84 2diy s LYS 74 Ca -0.12 -0.49 0.06 0.00 -1.00 0.00 0.00 55.97 54.42 2diy s LYS 74 Cb -0.14 -2.96 -0.03 0.00 -2.06 0.00 0.00 37.83 32.64 2diy s LYS 74 CO 0.00 0.24 -0.19 -1.17 0.10 0.00 0.00 175.35 174.33 2diy s LEU 75 N 0.38 2.47 -0.64 2.77 0.20 -0.27 -3.18 118.68 120.40 2diy s LEU 75 Ca -0.03 -0.34 -0.22 0.00 0.69 0.00 0.00 54.13 54.23 2diy s LEU 75 Cb -0.14 -1.47 0.07 0.00 -0.43 0.00 0.00 46.19 44.22 2diy s LEU 75 CO 0.03 0.32 0.93 -0.70 -0.29 0.00 0.00 176.35 176.64 2diy s GLU 76 N -0.85 3.12 0.32 1.98 2.12 -1.26 -2.01 118.70 122.12 2diy s GLU 76 Ca 0.12 -0.84 0.07 0.00 0.36 0.00 0.00 54.97 54.68 2diy s GLU 76 Cb -0.10 -4.22 0.90 0.00 0.26 0.00 0.00 34.13 30.97 2diy s GLU 76 CO 0.01 -1.76 1.62 0.00 -0.54 0.00 0.00 175.26 174.58 2diy h ALA 77 N 9.51 1.52 0.00 6.30 0.00 -1.85 1.54 119.26 136.27 2diy h ALA 77 Ca -0.29 0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 2diy h ALA 77 Cb 1.07 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 2diy h ALA 77 CO 1.17 -0.61 -0.40 0.93 0.00 0.00 0.00 179.25 180.34 2diy h GLU 78 N 0.13 0.00 0.03 0.00 4.39 -1.91 -3.22 114.58 114.01 2diy h GLU 78 Ca 0.65 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 60.10 2diy h GLU 78 Cb 1.45 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 30.12 2diy h GLU 78 CO -0.74 0.40 -0.99 0.78 -1.16 0.00 0.00 179.01 177.30 2diy h GLY 79 N 3.07 0.69 -6.90 -3.84 0.00 0.16 -3.40 103.07 92.85 2diy h GLY 79 Ca -0.00 -1.27 -0.61 0.00 0.00 0.00 0.00 47.33 45.44 2diy h GLY 79 CO 0.05 1.12 -0.72 0.14 0.00 0.00 0.00 176.54 177.14 2diy s VAL 80 N -3.18 1.89 -0.12 4.60 1.01 0.94 -4.90 120.40 120.63 2diy s VAL 80 Ca -0.11 -3.42 0.30 0.00 0.00 0.00 0.00 61.98 58.75 2diy s VAL 80 Cb 0.06 -2.27 0.33 0.00 0.00 0.00 0.00 36.38 34.50 2diy s VAL 80 CO 0.90 -1.03 1.88 1.55 0.00 0.00 0.00 175.10 178.41 2diy h PRO 81 N 5.82 0.00 0.32 2.72 0.13 -1.78 -3.16 132.00 136.05 2diy h PRO 81 Ca 0.13 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.25 2diy h PRO 81 Cb 0.84 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.97 2diy h PRO 81 CO 0.58 0.00 -0.19 1.49 -0.23 0.00 0.00 178.00 179.65 2diy h GLU 82 N 0.00 -0.46 -0.28 0.86 4.57 -1.91 -1.24 114.58 116.11 2diy h GLU 82 Ca 0.00 0.03 -0.09 0.00 -1.18 0.00 0.00 59.36 58.12 2diy h GLU 82 Cb 0.44 0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.13 2diy h GLU 82 CO 0.00 -0.31 -0.19 0.28 -1.18 0.00 0.00 179.01 177.61 2diy h VAL 83 N -0.48 1.30 -1.00 0.32 2.07 -1.95 -3.08 116.25 113.44 2diy h VAL 83 Ca -0.03 -1.31 0.16 0.00 0.82 0.00 0.00 66.70 66.34 2diy h VAL 83 Cb 0.39 1.54 -0.10 0.00 -1.52 0.00 0.00 31.29 31.61 2diy h VAL 83 CO 0.04 0.42 0.62 0.28 0.02 0.00 0.00 177.57 178.95 2diy h SER 84 N 0.36 0.82 0.64 0.57 0.02 -1.51 -2.24 113.55 112.22 2diy h SER 84 Ca 0.06 0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 61.05 2diy h SER 84 Cb 0.72 -0.08 0.01 0.00 0.14 0.00 0.00 62.40 63.19 2diy h SER 84 CO 0.05 0.36 -0.31 -0.08 -1.14 0.00 0.00 176.83 175.71 2diy h GLU 85 N 0.84 -0.83 -0.63 3.45 4.57 -1.14 1.09 114.58 121.93 2diy h GLU 85 Ca 0.54 0.06 0.06 0.00 -1.18 0.00 0.00 59.36 58.84 2diy h GLU 85 Cb 0.75 0.19 -0.09 0.00 -0.16 0.00 0.00 28.75 29.44 2diy h GLU 85 CO -0.32 -0.52 -0.50 -0.22 -1.18 0.00 0.00 179.01 176.26 2diy h LYS 86 N -0.97 -0.16 0.00 1.92 3.64 -1.34 0.55 116.57 120.21 2diy h LYS 86 Ca -0.09 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 2diy h LYS 86 Cb 0.69 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 2diy h LYS 86 CO 0.14 -0.11 0.00 0.66 -2.27 0.00 0.00 179.45 177.88 2diy n TYR 87 N -5.01 0.50 -3.37 1.91 4.02 -1.03 -4.91 117.16 109.26 2diy n TYR 87 Ca -0.01 0.16 -0.19 0.00 -0.01 0.00 0.00 57.90 57.86 2diy n TYR 87 Cb 0.26 -0.77 0.07 0.00 -0.02 0.00 0.00 39.34 38.89 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 -1.92 -6.50 -2.53 -0.72 1.02 0.33 -4.91 120.64 105.41 2diy n GLU 88 Ca 0.05 0.73 -0.40 0.00 -0.02 0.00 0.00 57.16 57.51 2diy n GLU 88 Cb 0.32 -5.43 -0.03 0.00 -0.02 0.00 0.00 31.44 26.27 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 3.84 -0.49 -3.67 -1.09 0.12 -4.81 121.20 111.80 2diy s ILE 89 Ca 0.32 -0.45 0.02 0.00 -2.23 0.00 0.00 60.65 58.32 2diy s ILE 89 Cb -0.14 -4.96 0.46 0.00 -1.58 0.00 0.00 42.46 36.23 2diy s ILE 89 CO 0.63 -1.86 1.65 -0.24 -1.23 0.00 0.00 174.94 173.89 2diy n SER 90 N 9.30 6.31 -3.61 3.58 2.88 -1.26 -4.88 113.62 125.92 2diy n SER 90 Ca 0.26 -3.77 -0.14 0.00 -1.33 0.00 0.00 58.87 53.89 2diy n SER 90 Cb 0.50 -0.69 -0.07 0.00 -0.75 0.00 0.00 64.21 63.21 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 -2.62 -0.68 0.01 -3.46 1.04 -1.26 -5.18 113.70 101.56 2diy s SER 91 Ca 0.58 1.22 -0.08 0.00 0.48 0.00 0.00 55.95 58.16 2diy s SER 91 Cb 0.46 1.21 0.00 0.00 0.10 0.00 0.00 66.02 67.80 2diy s SER 91 CO 0.01 -0.29 0.15 0.68 0.98 0.00 0.00 173.24 174.78 2diy s VAL 92 N 0.09 0.09 0.90 5.02 -7.23 -1.26 -4.21 120.40 113.80 2diy s VAL 92 Ca -0.01 -0.75 -0.12 0.00 -1.81 0.00 0.00 61.98 59.29 2diy s VAL 92 Cb -0.04 -0.56 0.13 0.00 0.56 0.00 0.00 36.38 36.47 2diy s VAL 92 CO 0.01 -0.41 1.09 -2.16 -0.31 0.00 0.00 175.10 173.32 2diy s PRO 93 N -1.68 1.24 -0.26 4.82 0.04 -1.26 -4.86 135.00 133.05 2diy s PRO 93 Ca -0.12 0.81 -0.08 0.00 0.04 0.00 0.00 61.00 61.65 2diy s PRO 93 Cb -0.06 -1.81 0.12 0.00 0.04 0.00 0.00 34.50 32.79 2diy s PRO 93 CO 0.00 -2.25 0.55 0.99 0.04 0.00 0.00 177.00 176.33 2diy s THR 94 N -2.94 -0.85 -0.14 1.26 2.01 -1.23 -2.78 115.64 110.97 2diy s THR 94 Ca 0.63 0.07 -0.07 0.00 0.31 0.00 0.00 61.69 62.63 2diy s THR 94 Cb -0.18 -0.86 -0.04 0.00 0.01 0.00 0.00 72.50 71.43 2diy s THR 94 CO 0.57 0.03 0.10 -0.36 -0.69 0.00 0.00 174.62 174.27 2diy s PHE 95 N 2.77 3.43 -0.29 4.92 0.40 -0.15 0.07 117.98 129.13 2diy s PHE 95 Ca -0.03 0.36 0.03 0.00 -0.60 0.00 0.00 56.93 56.69 2diy s PHE 95 Cb -0.12 -1.99 0.08 0.00 0.51 0.00 0.00 43.02 41.50 2diy s PHE 95 CO -0.16 0.50 -0.02 -0.51 0.70 0.00 0.00 175.22 175.73 2diy s LEU 96 N -0.47 3.71 -0.22 -0.37 1.43 -0.41 -1.76 118.68 120.59 2diy s LEU 96 Ca 0.11 -1.68 -0.29 0.00 -1.03 0.00 0.00 54.13 51.24 2diy s LEU 96 Cb -0.12 -1.46 0.01 0.00 0.03 0.00 0.00 46.19 44.65 2diy s LEU 96 CO 0.02 -0.29 1.09 -0.36 0.23 0.00 0.00 176.35 177.04 2diy s PHE 97 N 1.12 3.22 -0.25 0.29 0.40 -0.74 -2.13 117.98 119.89 2diy s PHE 97 Ca 0.01 1.35 -0.00 0.00 -0.60 0.00 0.00 56.93 57.69 2diy s PHE 97 Cb -0.19 -3.36 0.04 0.00 0.51 0.00 0.00 43.02 40.02 2diy s PHE 97 CO -0.08 -0.77 -0.08 -0.06 0.70 0.00 0.00 175.22 174.93 2diy s PHE 98 N 3.31 3.12 -0.30 0.36 0.08 -0.87 -2.14 117.98 121.54 2diy s PHE 98 Ca 0.46 -1.84 -0.06 0.00 0.12 0.00 0.00 56.93 55.62 2diy s PHE 98 Cb -0.16 -2.02 0.02 0.00 -0.57 0.00 0.00 43.02 40.30 2diy s PHE 98 CO 0.09 -0.79 0.06 0.21 -0.10 0.00 0.00 175.22 174.68 2diy s LYS 99 N 1.25 2.85 -1.06 0.44 2.47 -0.61 -2.44 119.74 122.64 2diy s LYS 99 Ca -0.03 -1.01 -0.06 0.00 -1.56 0.00 0.00 55.97 53.32 2diy s LYS 99 Cb -0.18 -3.33 0.01 0.00 -1.46 0.00 0.00 37.83 32.87 2diy s LYS 99 CO -0.05 -0.52 0.92 0.09 0.16 0.00 0.00 175.35 175.95 2diy n ASN 100 N 4.80 -4.90 -2.87 1.43 5.03 0.32 -2.47 115.26 116.60 2diy n ASN 100 Ca -0.14 -0.44 -0.20 0.00 0.87 0.00 0.00 54.58 54.67 2diy n ASN 100 Cb 0.46 -4.13 0.05 0.00 -1.02 0.00 0.00 39.78 35.14 2diy n ASN 100 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 2diy n SER 101 N -2.21 -5.67 -3.39 6.41 7.64 -1.26 -4.99 113.62 110.17 2diy n SER 101 Ca -0.03 -0.34 -0.05 0.00 1.01 0.00 0.00 58.87 59.45 2diy n SER 101 Cb 0.56 -4.40 -0.06 0.00 -1.01 0.00 0.00 64.21 59.30 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 -5.80 0.41 0.10 1.43 -0.21 -1.03 -5.07 119.66 109.49 2diy s GLN 102 Ca 0.37 0.82 -0.34 0.00 0.02 0.00 0.00 55.36 56.23 2diy s GLN 102 Cb -0.16 0.04 -0.13 0.00 1.00 0.00 0.00 33.01 33.76 2diy s GLN 102 CO 0.46 -0.52 1.66 1.17 -2.12 0.00 0.00 175.29 175.93 2diy n LYS 103 N 5.39 2.18 -0.00 2.91 4.81 -1.26 -1.57 118.16 130.62 2diy n LYS 103 Ca -0.05 0.79 -0.00 0.00 -0.87 0.00 0.00 58.31 58.18 2diy n LYS 103 Cb 0.50 -2.58 -0.00 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 3.89 0.01 -4.26 3.15 -5.35 -0.91 -4.90 119.36 110.99 2diy n ILE 104 Ca 0.18 -0.00 -0.14 0.00 -0.27 0.00 0.00 62.75 62.52 2diy n ILE 104 Cb 0.29 -0.77 -0.10 0.00 -1.74 0.00 0.00 39.64 37.32 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 -3.47 0.73 -0.21 7.28 2.15 -1.24 -5.07 116.67 116.85 2diy s ASP 105 Ca -0.00 -1.36 -0.27 0.00 0.43 0.00 0.00 52.55 51.35 2diy s ASP 105 Cb 0.00 0.25 0.09 0.00 -0.30 0.00 0.00 42.92 42.96 2diy s ASP 105 CO 0.00 -0.76 0.82 -0.60 -0.17 0.00 0.00 175.17 174.46 2diy s ARG 106 N -4.08 0.78 -0.13 4.34 3.52 -1.26 -1.79 118.95 120.33 2diy s ARG 106 Ca 0.37 0.62 0.00 0.00 -0.13 0.00 0.00 55.73 56.59 2diy s ARG 106 Cb 0.07 0.37 0.02 0.00 -1.56 0.00 0.00 34.95 33.86 2diy s ARG 106 CO 0.12 -0.15 -0.12 -1.17 -0.81 0.00 0.00 175.30 173.16 2diy s LEU 107 N -0.21 1.53 -0.09 -0.88 0.20 -0.72 -5.01 118.68 113.51 2diy s LEU 107 Ca -0.02 -0.41 -0.01 0.00 0.69 0.00 0.00 54.13 54.37 2diy s LEU 107 Cb -0.03 -1.05 -0.03 0.00 -0.43 0.00 0.00 46.19 44.65 2diy s LEU 107 CO 0.01 -0.06 -0.02 1.51 -0.29 0.00 0.00 176.35 177.50 2diy s ASP 108 N 1.45 5.02 0.00 3.68 -4.77 -1.26 -0.98 116.67 119.81 2diy s ASP 108 Ca 0.03 0.07 0.00 0.00 -3.30 0.00 0.00 52.55 49.34 2diy s ASP 108 Cb -0.13 -1.43 0.00 0.00 -1.09 0.00 0.00 42.92 40.27 2diy s ASP 108 CO -0.08 0.35 0.00 0.61 0.70 0.00 0.00 175.17 176.75 2diy n GLY 109 N 2.34 1.48 3.55 2.12 0.00 -1.12 -4.88 105.19 108.69 2diy n GLY 109 Ca -0.18 -1.65 -0.39 0.00 0.00 0.00 0.00 46.02 43.80 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 -2.09 2.32 -0.15 4.61 0.00 -1.26 -4.80 121.76 120.39 2diy s ALA 110 Ca 0.00 -0.87 -0.00 0.00 0.00 0.00 0.00 51.96 51.09 2diy s ALA 110 Cb 0.00 -4.30 0.03 0.00 0.00 0.00 0.00 23.12 18.86 2diy s ALA 110 CO 0.00 -3.74 -0.08 -1.01 0.00 0.00 0.00 175.76 170.93 2diy s HIS 111 N 8.17 1.80 -0.03 0.00 4.02 -1.26 -5.04 115.29 122.95 2diy s HIS 111 Ca 0.58 -1.07 -0.18 0.00 1.02 0.00 0.00 55.06 55.41 2diy s HIS 111 Cb -0.11 -1.38 -0.11 0.00 -1.02 0.00 0.00 32.58 29.97 2diy s HIS 111 CO 0.19 -0.61 0.77 0.00 1.02 0.00 0.00 174.74 176.10 2diy h ALA 112 N 8.11 -0.59 -0.09 -1.40 0.00 -1.95 -2.83 119.26 120.50 2diy h ALA 112 Ca -0.28 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.44 2diy h ALA 112 Cb 1.12 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 2diy h ALA 112 CO 0.43 -0.57 -0.09 -1.00 0.00 0.00 0.00 179.25 178.03 2diy h PRO 113 N -1.13 0.22 -0.77 0.00 0.13 -2.01 -3.18 132.00 125.27 2diy h PRO 113 Ca -0.06 -0.11 0.14 0.00 -0.87 0.00 0.00 66.00 65.09 2diy h PRO 113 Cb 0.49 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.53 2diy h PRO 113 CO 0.10 0.64 0.34 1.49 -0.23 0.00 0.00 178.00 180.34 2diy h GLU 114 N -0.20 0.49 0.38 0.86 4.57 -1.99 -2.13 114.58 116.56 2diy h GLU 114 Ca 0.01 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2diy h GLU 114 Cb 0.60 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 29.05 2diy h GLU 114 CO 0.02 0.32 -0.44 1.25 -1.18 0.00 0.00 179.01 178.99 2diy h LEU 115 N 0.50 -1.21 -0.09 1.64 5.85 -1.51 -2.93 115.31 117.56 2diy h LEU 115 Ca 0.42 0.11 0.03 0.00 0.84 0.00 0.00 57.88 59.27 2diy h LEU 115 Cb 0.61 0.41 -0.06 0.00 0.37 0.00 0.00 40.66 41.99 2diy h LEU 115 CO -0.38 -0.58 -0.53 0.74 -0.34 0.00 0.00 178.44 177.36 2diy h THR 116 N -0.85 0.00 -0.21 1.05 2.02 -1.40 -1.00 112.91 112.53 2diy h THR 116 Ca -0.03 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.17 2diy h THR 116 Cb 0.77 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 2diy h THR 116 CO -0.10 0.00 -0.12 0.29 0.37 0.00 0.00 175.52 175.96 2diy n LYS 117 N -5.35 -0.09 -0.13 6.66 5.02 -0.85 0.19 118.16 123.61 2diy n LYS 117 Ca -0.06 0.84 -0.04 0.00 -2.02 0.00 0.00 58.31 57.02 2diy n LYS 117 Cb 0.37 -1.24 0.03 0.00 -0.02 0.00 0.00 35.03 34.17 2diy n LYS 117 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2diy h LYS 118 N 0.00 0.06 0.07 1.97 1.57 -1.32 -0.77 116.57 118.15 2diy h LYS 118 Ca 0.03 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.82 2diy h LYS 118 Cb 0.09 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 2diy h LYS 118 CO -0.20 0.04 -0.33 0.28 -0.57 0.00 0.00 179.45 178.67 2diy h VAL 119 N 0.06 0.00 -0.15 0.50 2.07 0.11 0.68 116.25 119.53 2diy h VAL 119 Ca 0.21 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.77 2diy h VAL 119 Cb 0.32 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.02 2diy h VAL 119 CO -0.39 0.00 -0.45 1.56 0.02 0.00 0.00 177.57 178.31 2diy h GLN 120 N -0.47 -0.48 -0.33 1.57 4.20 -0.12 0.80 115.11 120.28 2diy h GLN 120 Ca -0.00 0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.78 2diy h GLN 120 Cb 0.47 0.11 -0.07 0.00 0.30 0.00 0.00 27.48 28.29 2diy h GLN 120 CO -0.18 -0.32 -0.54 -0.09 -0.67 0.00 0.00 178.83 177.03 2diy h ARG 121 N -0.50 -0.41 0.00 1.46 1.12 -0.94 0.32 114.38 115.42 2diy h ARG 121 Ca 0.07 0.03 -0.01 0.00 -1.11 0.00 0.00 59.98 58.96 2diy h ARG 121 Cb 0.64 0.09 -0.00 0.00 -0.01 0.00 0.00 29.97 30.69 2diy h ARG 121 CO -0.42 -0.27 -0.06 0.45 -3.11 0.00 0.00 179.97 176.56 2diy h HIS 122 N -0.43 0.00 -0.14 2.20 3.86 -0.46 -1.75 115.15 118.43 2diy h HIS 122 Ca 0.06 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.24 2diy h HIS 122 Cb 0.59 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.04 2diy h HIS 122 CO -0.69 0.06 0.04 0.00 0.86 0.00 0.00 177.93 178.20 2diy n ALA 123 N -2.23 2.89 -2.93 2.45 0.00 0.27 -4.66 120.51 116.30 2diy n ALA 123 Ca -0.02 -0.44 -0.44 0.00 0.00 0.00 0.00 53.44 52.54 2diy n ALA 123 Cb 0.18 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 0.14 5.28 -3.72 0.00 2.88 -0.66 -4.93 113.62 112.61 2diy n SER 124 Ca 0.08 -3.01 -0.12 0.00 -1.33 0.00 0.00 58.87 54.48 2diy n SER 124 Cb 0.53 -1.53 -0.11 0.00 -0.75 0.00 0.00 64.21 62.36 2diy n SER 124 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2diy s SER 125 N 2.27 -0.45 0.04 -3.46 1.04 -1.26 -5.07 113.70 106.80 2diy s SER 125 Ca 0.41 0.83 0.00 0.00 0.48 0.00 0.00 55.95 57.67 2diy s SER 125 Cb -0.02 0.78 0.00 0.00 0.10 0.00 0.00 66.02 66.88 2diy s SER 125 CO -0.01 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.66 2diy n GLY 126 N 3.48 -5.48 0.00 7.32 0.00 -1.26 -4.73 105.19 104.52 2diy n GLY 126 Ca -0.18 0.06 0.06 0.00 0.00 0.00 0.00 46.02 45.96 2diy n GLY 126 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2diy n PRO 127 N 1.88 0.49 -0.97 1.61 -0.04 -1.26 -4.86 135.00 131.84 2diy n PRO 127 Ca 0.00 0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 63.01 2diy n PRO 127 Cb 0.00 -1.37 -0.09 0.00 -0.04 0.00 0.00 33.50 32.00 2diy n PRO 127 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2diy n SER 128 N -0.87 0.60 -3.49 3.54 7.64 -1.26 0.17 113.62 119.95 2diy n SER 128 Ca 0.09 0.55 -0.19 0.00 1.01 0.00 0.00 58.87 60.33 2diy n SER 128 Cb 0.04 -0.67 0.08 0.00 -1.01 0.00 0.00 64.21 62.66 2diy n SER 128 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2diy n SER 129 N 5.24 -2.98 0.00 6.43 7.64 -1.26 -5.07 113.62 123.62 2diy n SER 129 Ca 0.39 -0.62 0.00 0.00 1.01 0.00 0.00 58.87 59.65 2diy n SER 129 Cb -0.03 -5.02 0.00 0.00 -1.01 0.00 0.00 64.21 58.15 2diy n SER 129 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64