#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 -5.05 -2.05 1.61 2.88 -1.26 -2.18 113.62 107.56 2diy n SER 2 Ca 0.00 -0.64 -0.11 0.00 -1.33 0.00 0.00 58.87 56.79 2diy n SER 2 Cb 0.00 -4.65 0.04 0.00 -0.75 0.00 0.00 64.21 58.85 2diy n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2diy n SER 3 N -2.98 -3.59 -4.25 -3.46 2.88 -1.26 -5.02 113.62 95.94 2diy n SER 3 Ca -0.04 -0.27 -0.36 0.00 -1.33 0.00 0.00 58.87 56.86 2diy n SER 3 Cb 0.57 -2.72 -0.13 0.00 -0.75 0.00 0.00 64.21 61.18 2diy n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2diy s GLY 4 N -3.29 1.77 -0.29 0.46 0.00 -0.93 -5.05 107.32 99.99 2diy s GLY 4 Ca 0.21 -1.63 -0.20 0.00 0.00 0.00 0.00 44.72 43.10 2diy s GLY 4 CO 0.36 0.68 1.15 -1.35 0.00 0.00 0.00 173.10 173.94 2diy s SER 5 N 1.37 -0.30 -0.27 1.64 1.04 -1.26 -4.94 113.70 110.99 2diy s SER 5 Ca -0.01 0.51 -0.23 0.00 0.48 0.00 0.00 55.95 56.70 2diy s SER 5 Cb -0.19 0.86 0.07 0.00 0.10 0.00 0.00 66.02 66.87 2diy s SER 5 CO 0.01 -0.08 0.72 -0.44 0.98 0.00 0.00 173.24 174.42 2diy s SER 6 N 0.75 -0.80 0.13 7.02 0.01 -1.26 -5.11 113.70 114.45 2diy s SER 6 Ca -0.03 1.46 0.00 0.00 1.31 0.00 0.00 55.95 58.69 2diy s SER 6 Cb -0.04 1.44 0.00 0.00 0.21 0.00 0.00 66.02 67.63 2diy s SER 6 CO -0.12 -0.25 0.00 0.61 0.41 0.00 0.00 173.24 173.89 2diy n GLY 7 N 3.11 -4.94 3.01 3.44 0.00 -1.26 -5.07 105.19 103.47 2diy n GLY 7 Ca -0.16 -0.32 -0.11 0.00 0.00 0.00 0.00 46.02 45.43 2diy n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2diy s MET 8 N -1.23 0.25 -0.24 1.61 1.00 -1.26 -5.14 119.30 114.28 2diy s MET 8 Ca 0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 55.69 55.54 2diy s MET 8 Cb 0.00 0.10 0.13 0.00 0.00 0.00 0.00 34.83 35.06 2diy s MET 8 CO 0.00 -0.05 0.36 0.00 0.00 0.00 0.00 175.02 175.33 2diy s ALA 9 N -0.57 -0.99 -0.04 3.03 0.00 -1.26 -5.14 121.76 116.79 2diy s ALA 9 Ca -0.06 0.77 0.02 0.00 0.00 0.00 0.00 51.96 52.69 2diy s ALA 9 Cb -0.04 -1.66 0.01 0.00 0.00 0.00 0.00 23.12 21.43 2diy s ALA 9 CO 0.00 -1.29 -0.10 0.00 0.00 0.00 0.00 175.76 174.37 2diy s ALA 10 N 2.52 1.01 0.00 0.00 0.00 -1.26 -5.06 121.76 118.97 2diy s ALA 10 Ca 0.12 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.74 2diy s ALA 10 Cb -0.15 -0.43 0.00 0.00 0.00 0.00 0.00 23.12 22.54 2diy s ALA 10 CO -0.17 0.12 0.00 0.41 0.00 0.00 0.00 175.76 176.12 2diy n GLY 11 N 3.57 0.21 3.52 0.00 0.00 -1.26 -5.02 105.19 106.21 2diy n GLY 11 Ca -0.21 -1.69 -0.22 0.00 0.00 0.00 0.00 46.02 43.90 2diy n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2diy n ALA 12 N -0.59 -1.49 -3.69 4.61 0.00 -1.26 -4.98 120.51 113.10 2diy n ALA 12 Ca 0.00 0.27 -0.29 0.00 0.00 0.00 0.00 53.44 53.42 2diy n ALA 12 Cb 0.00 -4.60 -0.13 0.00 0.00 0.00 0.00 19.45 14.72 2diy n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2diy s ALA 13 N -3.33 1.99 -0.29 0.00 0.00 -1.26 -5.06 121.76 113.82 2diy s ALA 13 Ca 0.42 -2.46 -0.07 0.00 0.00 0.00 0.00 51.96 49.85 2diy s ALA 13 Cb -0.18 -1.84 0.14 0.00 0.00 0.00 0.00 23.12 21.23 2diy s ALA 13 CO 0.72 -2.04 0.60 -1.83 0.00 0.00 0.00 175.76 173.21 2diy s GLU 14 N 0.52 0.54 0.30 0.00 -1.05 -1.26 -5.17 118.70 112.57 2diy s GLU 14 Ca 0.17 1.25 0.07 0.00 -0.15 0.00 0.00 54.97 56.31 2diy s GLU 14 Cb -0.24 0.67 -0.03 0.00 -0.44 0.00 0.00 34.13 34.09 2diy s GLU 14 CO -0.01 -0.34 0.27 0.00 0.95 0.00 0.00 175.26 176.13 2diy s ALA 15 N 2.84 3.78 -0.28 -0.84 0.00 -1.26 -5.13 121.76 120.87 2diy s ALA 15 Ca 0.03 -1.52 -0.26 0.00 0.00 0.00 0.00 51.96 50.21 2diy s ALA 15 Cb -0.13 -1.30 0.16 0.00 0.00 0.00 0.00 23.12 21.85 2diy s ALA 15 CO -0.19 0.12 1.23 0.00 0.00 0.00 0.00 175.76 176.92 2diy s ALA 16 N -2.21 -2.09 -0.26 0.00 0.00 -1.26 -5.15 121.76 110.80 2diy s ALA 16 Ca 0.38 1.77 -0.11 0.00 0.00 0.00 0.00 51.96 54.00 2diy s ALA 16 Cb -0.07 -1.53 -0.05 0.00 0.00 0.00 0.00 23.12 21.47 2diy s ALA 16 CO 0.26 -0.18 0.18 0.08 0.00 0.00 0.00 175.76 176.10 2diy s VAL 17 N -0.06 5.33 -0.67 0.00 1.01 -1.26 -4.98 120.40 119.76 2diy s VAL 17 Ca 0.05 0.19 -0.02 0.00 0.00 0.00 0.00 61.98 62.20 2diy s VAL 17 Cb -0.04 -3.52 0.32 0.00 0.00 0.00 0.00 36.38 33.14 2diy s VAL 17 CO -0.10 0.29 2.15 0.00 0.00 0.00 0.00 175.10 177.44 2diy n ALA 18 N 4.69 6.31 -2.48 5.51 0.00 -1.26 -4.94 120.51 128.34 2diy n ALA 18 Ca -0.14 -3.49 -0.24 0.00 0.00 0.00 0.00 53.44 49.57 2diy n ALA 18 Cb 0.52 -1.89 -0.12 0.00 0.00 0.00 0.00 19.45 17.96 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 -3.40 2.02 -0.30 0.00 0.00 -1.26 -3.50 121.76 115.33 2diy s ALA 19 Ca 0.55 -1.40 -0.29 0.00 0.00 0.00 0.00 51.96 50.82 2diy s ALA 19 Cb 0.43 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 23.31 2diy s ALA 19 CO -0.21 0.34 1.25 0.08 0.00 0.00 0.00 175.76 177.22 2diy s VAL 20 N -1.52 4.23 0.51 0.00 1.01 -1.26 -4.70 120.40 118.66 2diy s VAL 20 Ca 0.12 1.40 -0.20 0.00 0.00 0.00 0.00 61.98 63.31 2diy s VAL 20 Cb -0.08 -4.20 -0.08 0.00 0.00 0.00 0.00 36.38 32.02 2diy s VAL 20 CO 0.06 -0.46 1.05 -1.61 0.00 0.00 0.00 175.10 174.14 2diy s GLU 21 N 4.01 3.70 -0.45 2.72 0.41 -0.99 -4.87 118.70 123.22 2diy s GLU 21 Ca 0.54 1.36 -0.13 0.00 -0.41 0.00 0.00 54.97 56.33 2diy s GLU 21 Cb -0.16 -2.08 0.07 0.00 -1.78 0.00 0.00 34.13 30.18 2diy s GLU 21 CO 0.21 -0.52 0.33 -1.21 -0.49 0.00 0.00 175.26 173.58 2diy s GLU 22 N -3.35 2.83 -0.28 1.61 2.02 -1.26 -1.98 118.70 118.27 2diy s GLU 22 Ca 0.67 -1.38 -0.19 0.00 0.02 0.00 0.00 54.97 54.10 2diy s GLU 22 Cb -0.17 -3.98 -0.02 0.00 0.10 0.00 0.00 34.13 30.06 2diy s GLU 22 CO 0.23 -0.98 0.55 0.08 0.02 0.00 0.00 175.26 175.16 2diy s VAL 23 N 1.55 5.02 -0.15 2.63 1.01 -0.10 -4.93 120.40 125.44 2diy s VAL 23 Ca 0.04 0.82 0.15 0.00 0.00 0.00 0.00 61.98 62.98 2diy s VAL 23 Cb -0.24 -3.90 0.37 0.00 0.00 0.00 0.00 36.38 32.62 2diy s VAL 23 CO 0.05 -0.02 1.19 0.61 0.00 0.00 0.00 175.10 176.93 2diy n GLY 24 N 4.44 4.10 3.57 4.51 0.00 -1.26 -3.43 105.19 117.12 2diy n GLY 24 Ca -0.03 -1.12 -0.13 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.82 -0.49 0.40 1.61 1.04 -1.26 -4.74 113.70 107.44 2diy s SER 25 Ca 0.34 0.64 0.13 0.00 0.48 0.00 0.00 55.95 57.54 2diy s SER 25 Cb 0.34 0.55 0.84 0.00 0.10 0.00 0.00 66.02 67.84 2diy s SER 25 CO -0.07 -0.38 1.90 0.00 0.98 0.00 0.00 173.24 175.68 2diy h ALA 26 N 3.12 1.52 -0.19 5.32 0.00 -1.95 -2.68 119.26 124.41 2diy h ALA 26 Ca -0.23 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.30 2diy h ALA 26 Cb 1.16 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2diy h ALA 26 CO 0.28 0.36 -0.40 0.78 0.00 0.00 0.00 179.25 180.27 2diy h GLY 27 N 0.84 0.48 1.27 0.00 0.00 -1.98 0.72 103.07 104.40 2diy h GLY 27 Ca 0.00 -0.47 -0.15 0.00 0.00 0.00 0.00 47.33 46.71 2diy h GLY 27 CO 0.04 0.42 -0.39 -1.61 0.00 0.00 0.00 176.54 175.00 2diy h GLN 28 N 0.37 0.81 0.03 4.80 4.15 -1.89 -2.14 115.11 121.24 2diy h GLN 28 Ca 0.03 -0.42 -0.00 0.00 0.77 0.00 0.00 58.65 59.04 2diy h GLN 28 Cb 0.86 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.56 2diy h GLN 28 CO 0.07 1.05 -0.02 0.35 -1.93 0.00 0.00 178.83 178.35 2diy h PHE 29 N 0.66 -0.04 -1.00 3.99 3.57 -1.43 -1.95 116.94 120.74 2diy h PHE 29 Ca 0.06 -0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.72 2diy h PHE 29 Cb 0.95 0.01 -0.10 0.00 2.79 0.00 0.00 35.95 39.60 2diy h PHE 29 CO 0.05 0.62 0.62 0.93 -2.23 0.00 0.00 178.31 178.30 2diy h GLU 30 N -0.92 0.81 -0.08 1.11 5.08 -0.94 0.15 114.58 119.79 2diy h GLU 30 Ca -0.00 -0.05 -0.15 0.00 -1.00 0.00 0.00 59.36 58.16 2diy h GLU 30 Cb 0.68 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.75 2diy h GLU 30 CO 0.01 0.53 -0.52 1.05 -1.00 0.00 0.00 179.01 179.09 2diy h GLU 31 N 0.83 0.49 0.00 2.33 4.11 -1.48 -3.13 114.58 117.73 2diy h GLU 31 Ca 0.55 -0.42 -0.01 0.00 0.07 0.00 0.00 59.36 59.55 2diy h GLU 31 Cb 0.78 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.12 2diy h GLU 31 CO -0.34 1.06 -0.07 1.25 0.07 0.00 0.00 179.01 180.98 2diy h LEU 32 N 0.07 0.00 -1.79 3.06 5.85 -0.44 -1.69 115.31 120.37 2diy h LEU 32 Ca -0.04 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 2diy h LEU 32 Cb 1.17 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.20 2diy h LEU 32 CO 0.11 0.07 -0.15 -0.07 -0.34 0.00 0.00 178.44 178.05 2diy h LEU 33 N 0.00 0.00 0.08 2.25 3.38 -0.68 0.25 115.31 120.58 2diy h LEU 33 Ca -0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 2diy h LEU 33 Cb 0.21 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.97 2diy h LEU 33 CO 0.01 0.15 -0.57 0.03 0.09 0.00 0.00 178.44 178.15 2diy h ARG 34 N 0.00 0.16 0.22 1.13 2.47 -1.42 -3.07 114.38 113.88 2diy h ARG 34 Ca -0.00 -0.28 -0.01 0.00 -1.26 0.00 0.00 59.98 58.43 2diy h ARG 34 Cb 0.30 0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.73 2diy h ARG 34 CO 0.02 1.13 -0.11 -0.07 0.56 0.00 0.00 179.97 181.50 2diy h LEU 35 N -0.65 -0.26 -2.97 3.04 3.38 -1.46 -3.10 115.31 113.30 2diy h LEU 35 Ca -0.11 -0.24 -0.18 0.00 0.09 0.00 0.00 57.88 57.44 2diy h LEU 35 Cb 1.38 0.07 -0.09 0.00 0.09 0.00 0.00 40.66 42.11 2diy h LEU 35 CO 0.06 0.14 0.23 0.29 0.09 0.00 0.00 178.44 179.26 2diy n LYS 36 N -5.05 1.44 -0.06 1.13 4.76 0.86 -4.21 118.16 117.03 2diy n LYS 36 Ca -0.09 -0.94 -0.17 0.00 -2.87 0.00 0.00 58.31 54.25 2diy n LYS 36 Cb 0.25 -1.37 -0.13 0.00 -1.84 0.00 0.00 35.03 31.94 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 1.49 0.04 -0.33 7.82 0.00 -1.45 -3.33 119.26 123.50 2diy h ALA 37 Ca 0.18 -0.68 0.03 0.00 0.00 0.00 0.00 54.91 54.45 2diy h ALA 37 Cb 1.23 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 2diy h ALA 37 CO 0.41 0.21 0.22 1.57 0.00 0.00 0.00 179.25 181.66 2diy h LYS 38 N -0.88 0.30 -6.77 0.00 2.10 -1.81 -1.92 116.57 107.59 2diy h LYS 38 Ca -0.09 -0.02 -0.46 0.00 -2.00 0.00 0.00 60.65 58.08 2diy h LYS 38 Cb 1.18 -0.07 0.03 0.00 -0.90 0.00 0.00 32.23 32.48 2diy h LYS 38 CO -0.01 0.20 -0.05 -1.12 -2.00 0.00 0.00 179.45 176.46 2diy s SER 39 N -6.68 5.71 -0.54 7.07 0.01 -1.25 -4.91 113.70 113.12 2diy s SER 39 Ca -0.07 0.29 -0.28 0.00 1.31 0.00 0.00 55.95 57.20 2diy s SER 39 Cb 0.18 -1.45 0.02 0.00 0.21 0.00 0.00 66.02 64.98 2diy s SER 39 CO 0.72 -0.82 1.27 -0.22 0.41 0.00 0.00 173.24 174.60 2diy s LEU 40 N -4.64 3.49 -0.14 2.44 2.96 -1.26 -4.56 118.68 116.97 2diy s LEU 40 Ca 0.50 0.31 -0.16 0.00 -0.22 0.00 0.00 54.13 54.57 2diy s LEU 40 Cb -0.10 -3.26 -0.04 0.00 0.50 0.00 0.00 46.19 43.29 2diy s LEU 40 CO 0.39 -1.50 0.38 -0.22 -1.32 0.00 0.00 176.35 174.08 2diy s LEU 41 N 5.21 4.26 -0.32 -0.68 2.96 -0.72 -1.35 118.68 128.06 2diy s LEU 41 Ca 0.49 0.66 0.03 0.00 -0.22 0.00 0.00 54.13 55.08 2diy s LEU 41 Cb -0.09 -2.52 0.09 0.00 0.50 0.00 0.00 46.19 44.17 2diy s LEU 41 CO 0.27 0.06 0.03 -0.69 -1.32 0.00 0.00 176.35 174.71 2diy s VAL 42 N 0.50 1.92 -0.58 1.68 1.01 -0.70 0.35 120.40 124.58 2diy s VAL 42 Ca 0.21 -1.98 -0.26 0.00 0.00 0.00 0.00 61.98 59.95 2diy s VAL 42 Cb -0.14 -2.36 0.04 0.00 0.00 0.00 0.00 36.38 33.92 2diy s VAL 42 CO 0.07 -0.51 1.06 -0.69 0.00 0.00 0.00 175.10 175.04 2diy s VAL 43 N 1.11 4.20 -0.18 2.92 1.01 -0.58 -2.29 120.40 126.59 2diy s VAL 43 Ca 0.07 0.52 -0.12 0.00 0.00 0.00 0.00 61.98 62.45 2diy s VAL 43 Cb -0.19 -4.64 -0.05 0.00 0.00 0.00 0.00 36.38 31.50 2diy s VAL 43 CO -0.11 -1.26 0.22 -2.28 0.00 0.00 0.00 175.10 171.68 2diy s HIS 44 N 4.46 3.43 -0.11 5.22 5.04 -0.08 -1.59 115.29 131.68 2diy s HIS 44 Ca 0.35 0.48 -0.23 0.00 -1.54 0.00 0.00 55.06 54.13 2diy s HIS 44 Cb -0.10 -2.27 -0.03 0.00 0.04 0.00 0.00 32.58 30.22 2diy s HIS 44 CO 0.21 0.25 0.68 -0.06 -2.34 0.00 0.00 174.74 173.48 2diy s PHE 45 N 0.45 3.52 -0.03 3.88 0.40 -0.69 -1.35 117.98 124.16 2diy s PHE 45 Ca 0.13 1.15 0.05 0.00 -0.60 0.00 0.00 56.93 57.66 2diy s PHE 45 Cb -0.12 -2.80 -0.01 0.00 0.51 0.00 0.00 43.02 40.60 2diy s PHE 45 CO 0.01 0.01 -0.17 1.67 0.70 0.00 0.00 175.22 177.45 2diy s TRP 46 N 1.13 1.62 0.06 0.36 1.48 -0.82 -3.68 118.94 119.09 2diy s TRP 46 Ca 0.35 -0.41 0.05 0.00 -1.06 0.00 0.00 56.10 55.03 2diy s TRP 46 Cb -0.17 -1.07 -0.03 0.00 -1.16 0.00 0.00 33.47 31.04 2diy s TRP 46 CO 0.15 -0.11 -0.15 0.00 -4.06 0.00 0.00 176.95 172.78 2diy s ALA 47 N -0.11 1.22 0.21 2.67 0.00 -1.26 -3.46 121.76 121.03 2diy s ALA 47 Ca 0.00 -0.94 0.25 0.00 0.00 0.00 0.00 51.96 51.27 2diy s ALA 47 Cb -0.10 -0.15 1.05 0.00 0.00 0.00 0.00 23.12 23.92 2diy s ALA 47 CO 0.01 0.21 1.88 -1.00 0.00 0.00 0.00 175.76 176.86 2diy h PRO 48 N 4.59 0.00 0.00 0.00 0.13 -2.01 -3.28 132.00 131.42 2diy h PRO 48 Ca -0.40 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.60 2diy h PRO 48 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 2diy h PRO 48 CO 0.42 0.21 -0.85 0.11 -0.23 0.00 0.00 178.00 177.66 2diy h TRP 49 N 0.00 0.00 -1.91 1.56 5.08 -2.06 -3.45 115.95 115.17 2diy h TRP 49 Ca -0.00 0.00 -0.60 0.00 1.08 0.00 0.00 58.89 59.37 2diy h TRP 49 Cb 0.65 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.81 2diy h TRP 49 CO 0.00 0.96 1.41 0.00 -1.28 0.00 0.00 178.44 179.52 2diy n ALA 50 N -3.35 1.57 -0.10 0.11 0.00 -1.24 -4.86 120.51 112.63 2diy n ALA 50 Ca -0.21 -0.10 -0.13 0.00 0.00 0.00 0.00 53.44 53.00 2diy n ALA 50 Cb 0.51 -2.79 -0.03 0.00 0.00 0.00 0.00 19.45 17.14 2diy n ALA 50 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2diy h PRO 51 N 13.42 0.81 -0.67 0.00 0.13 -1.88 -3.26 132.00 140.55 2diy h PRO 51 Ca -0.41 -0.42 0.13 0.00 -0.87 0.00 0.00 66.00 64.42 2diy h PRO 51 Cb 1.26 0.02 -0.13 0.00 0.13 0.00 0.00 31.00 32.27 2diy h PRO 51 CO 0.96 1.06 -0.25 1.96 -0.23 0.00 0.00 178.00 181.51 2diy h GLN 52 N 0.58 -0.06 -1.54 0.86 1.08 -1.94 0.54 115.11 114.63 2diy h GLN 52 Ca 0.05 0.00 0.45 0.00 -1.45 0.00 0.00 58.65 57.71 2diy h GLN 52 Cb 0.91 0.01 -0.07 0.00 -0.05 0.00 0.00 27.48 28.28 2diy h GLN 52 CO 0.08 -0.04 1.09 0.00 -0.95 0.00 0.00 178.83 179.01 2diy h ALA 54 N 1.27 0.09 0.58 0.00 0.00 -0.07 -2.00 119.26 119.12 2diy h ALA 54 Ca 0.76 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.75 2diy h ALA 54 Cb 2.93 0.33 0.01 0.00 0.00 0.00 0.00 17.79 21.06 2diy h ALA 54 CO -0.07 -0.54 -0.28 1.96 0.00 0.00 0.00 179.25 180.32 2diy h GLN 55 N -0.10 -0.75 -1.45 0.00 1.08 -0.71 -2.95 115.11 110.22 2diy h GLN 55 Ca 0.15 0.05 0.49 0.00 -1.45 0.00 0.00 58.65 57.89 2diy h GLN 55 Cb 0.32 0.17 -0.13 0.00 -0.05 0.00 0.00 27.48 27.79 2diy h GLN 55 CO -0.34 -0.44 0.95 -1.33 -0.95 0.00 0.00 178.83 176.72 2diy n MET 56 N -5.34 -0.03 0.16 1.46 2.81 -1.13 -0.80 117.12 114.25 2diy n MET 56 Ca -0.12 1.24 -0.08 0.00 -1.81 0.00 0.00 57.70 56.93 2diy n MET 56 Cb 0.34 -2.49 -0.04 0.00 -0.71 0.00 0.00 33.22 30.33 2diy n MET 56 CO 0.00 0.00 0.00 -0.97 1.51 0.00 0.00 175.97 176.51 2diy h ASN 57 N 0.00 -0.54 -0.93 7.83 -1.24 -1.18 -0.11 115.58 119.40 2diy h ASN 57 Ca 0.89 0.03 0.18 0.00 0.71 0.00 0.00 56.30 58.11 2diy h ASN 57 Cb 2.96 0.17 -0.08 0.00 0.73 0.00 0.00 38.32 42.09 2diy h ASN 57 CO -0.42 -0.30 0.60 1.05 -1.29 0.00 0.00 177.43 177.07 2diy h GLU 58 N -0.48 0.61 -0.48 6.67 4.11 -1.03 0.14 114.58 124.11 2diy h GLU 58 Ca -0.04 -0.04 -0.04 0.00 0.07 0.00 0.00 59.36 59.32 2diy h GLU 58 Cb 0.39 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 2diy h GLU 58 CO 0.02 0.40 0.14 0.28 0.07 0.00 0.00 179.01 179.92 2diy h VAL 59 N 0.62 1.20 0.02 -1.06 2.07 -1.05 -2.61 116.25 115.44 2diy h VAL 59 Ca 0.50 -0.69 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 2diy h VAL 59 Cb 0.93 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 2diy h VAL 59 CO -0.25 0.26 -0.01 0.24 0.02 0.00 0.00 177.57 177.83 2diy h MET 60 N 0.70 -0.03 -0.29 1.57 2.86 0.12 -3.09 114.93 116.77 2diy h MET 60 Ca 0.16 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.86 2diy h MET 60 Cb 0.23 0.01 -0.08 0.00 0.06 0.00 0.00 31.60 31.82 2diy h MET 60 CO -0.01 0.56 -0.46 0.00 1.06 0.00 0.00 176.91 178.06 2diy h ALA 61 N 0.30 -0.60 -0.85 6.32 0.00 -1.19 0.30 119.26 123.55 2diy h ALA 61 Ca -0.00 0.01 0.21 0.00 0.00 0.00 0.00 54.91 55.13 2diy h ALA 61 Cb 0.60 0.92 -0.05 0.00 0.00 0.00 0.00 17.79 19.26 2diy h ALA 61 CO 0.00 -0.94 0.58 0.93 0.00 0.00 0.00 179.25 179.82 2diy h GLU 62 N -0.42 0.22 -0.02 0.00 4.39 -1.57 0.11 114.58 117.29 2diy h GLU 62 Ca 0.10 -0.01 -0.23 0.00 0.34 0.00 0.00 59.36 59.55 2diy h GLU 62 Cb 0.62 -0.05 0.01 0.00 -0.10 0.00 0.00 28.75 29.22 2diy h GLU 62 CO -0.51 0.15 -0.93 -0.07 -1.16 0.00 0.00 179.01 176.49 2diy h LEU 63 N 0.23 0.65 -0.12 1.33 3.38 -0.53 -2.86 115.31 117.39 2diy h LEU 63 Ca 0.42 -0.50 0.04 0.00 0.09 0.00 0.00 57.88 57.93 2diy h LEU 63 Cb 1.30 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 41.79 2diy h LEU 63 CO -0.10 1.30 -0.46 0.00 0.09 0.00 0.00 178.44 179.27 2diy h ALA 64 N 0.67 -0.68 0.15 1.53 0.00 0.21 0.27 119.26 121.41 2diy h ALA 64 Ca -0.08 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2diy h ALA 64 Cb 1.57 0.85 0.00 0.00 0.00 0.00 0.00 17.79 20.21 2diy h ALA 64 CO 0.17 -0.97 -0.07 1.57 0.00 0.00 0.00 179.25 179.94 2diy h LYS 65 N -0.53 -0.19 -0.91 0.00 2.10 -1.57 -2.95 116.57 112.52 2diy h LYS 65 Ca 0.06 0.01 0.22 0.00 -2.00 0.00 0.00 60.65 58.94 2diy h LYS 65 Cb 0.65 0.04 -0.12 0.00 -0.90 0.00 0.00 32.23 31.90 2diy h LYS 65 CO -0.40 0.02 0.43 1.49 -2.00 0.00 0.00 179.45 178.99 2diy h GLU 66 N -0.38 0.43 -3.49 0.07 4.57 -1.24 -3.21 114.58 111.33 2diy h GLU 66 Ca -0.02 -0.03 -0.67 0.00 -1.18 0.00 0.00 59.36 57.46 2diy h GLU 66 Cb 0.30 -0.10 -0.38 0.00 -0.16 0.00 0.00 28.75 28.42 2diy h GLU 66 CO 0.03 0.29 -0.47 -0.51 -1.18 0.00 0.00 179.01 177.17 2diy s LEU 67 N -10.46 4.85 0.37 1.64 1.43 0.92 -4.92 118.68 112.52 2diy s LEU 67 Ca -0.11 -2.94 0.27 0.00 -1.03 0.00 0.00 54.13 50.32 2diy s LEU 67 Cb 0.25 -1.76 1.15 0.00 0.03 0.00 0.00 46.19 45.86 2diy s LEU 67 CO 0.78 -0.31 1.82 1.55 0.23 0.00 0.00 176.35 180.42 2diy h PRO 68 N 6.78 0.00 -0.70 1.29 0.13 -1.58 -2.59 132.00 135.34 2diy h PRO 68 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 2diy h PRO 68 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 2diy h PRO 68 CO 0.70 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.47 2diy n GLN 69 N -2.55 3.47 -4.54 0.86 10.64 -1.26 -4.86 117.38 119.13 2diy n GLN 69 Ca 0.01 -2.07 -0.21 0.00 -1.83 0.00 0.00 57.00 52.90 2diy n GLN 69 Cb 0.25 -1.95 -0.15 0.00 -0.86 0.00 0.00 30.24 27.52 2diy n GLN 69 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 2diy s VAL 70 N -2.10 0.97 -0.31 -0.39 1.01 -0.98 -4.18 120.40 114.43 2diy s VAL 70 Ca 0.36 -0.51 -0.09 0.00 0.00 0.00 0.00 61.98 61.74 2diy s VAL 70 Cb 0.27 -0.82 -0.01 0.00 0.00 0.00 0.00 36.38 35.82 2diy s VAL 70 CO 0.12 0.28 0.15 -0.44 0.00 0.00 0.00 175.10 175.21 2diy s SER 71 N -0.17 5.53 -0.35 3.32 0.01 -0.46 -4.94 113.70 116.64 2diy s SER 71 Ca 0.03 -0.52 -0.11 0.00 1.31 0.00 0.00 55.95 56.65 2diy s SER 71 Cb -0.06 -2.00 0.01 0.00 0.21 0.00 0.00 66.02 64.18 2diy s SER 71 CO -0.00 -0.19 0.20 -0.36 0.41 0.00 0.00 173.24 173.30 2diy s PHE 72 N 1.61 3.22 -0.08 2.43 0.08 -1.26 -1.72 117.98 122.26 2diy s PHE 72 Ca 0.05 -0.66 0.04 0.00 0.12 0.00 0.00 56.93 56.47 2diy s PHE 72 Cb -0.17 -2.43 0.00 0.00 -0.57 0.00 0.00 43.02 39.85 2diy s PHE 72 CO 0.06 -0.53 -0.19 0.14 -0.10 0.00 0.00 175.22 174.60 2diy s VAL 73 N 1.62 1.68 -0.07 -0.44 -7.23 -0.97 -2.35 120.40 112.64 2diy s VAL 73 Ca 0.04 -0.81 0.03 0.00 -1.81 0.00 0.00 61.98 59.43 2diy s VAL 73 Cb -0.18 -1.47 -0.02 0.00 0.56 0.00 0.00 36.38 35.27 2diy s VAL 73 CO 0.07 0.48 -0.14 -1.59 -0.31 0.00 0.00 175.10 173.61 2diy s LYS 74 N 0.37 2.70 0.06 4.82 -2.85 -0.84 -0.90 119.74 123.10 2diy s LYS 74 Ca -0.15 -0.69 0.07 0.00 -1.00 0.00 0.00 55.97 54.20 2diy s LYS 74 Cb -0.16 -2.43 -0.03 0.00 -2.06 0.00 0.00 37.83 33.15 2diy s LYS 74 CO 0.06 0.53 -0.20 -1.17 0.10 0.00 0.00 175.35 174.67 2diy s LEU 75 N -0.49 2.21 -0.57 2.77 0.20 -0.45 -0.93 118.68 121.42 2diy s LEU 75 Ca 0.06 -0.58 -0.23 0.00 0.69 0.00 0.00 54.13 54.08 2diy s LEU 75 Cb -0.12 -0.92 0.05 0.00 -0.43 0.00 0.00 46.19 44.78 2diy s LEU 75 CO 0.02 0.12 0.89 -0.70 -0.29 0.00 0.00 176.35 176.38 2diy s GLU 76 N -1.43 3.23 0.39 1.98 2.12 -1.22 -1.94 118.70 121.82 2diy s GLU 76 Ca 0.07 -0.53 0.22 0.00 0.36 0.00 0.00 54.97 55.08 2diy s GLU 76 Cb -0.09 -4.11 1.25 0.00 0.26 0.00 0.00 34.13 31.44 2diy s GLU 76 CO 0.03 -1.53 1.66 0.00 -0.54 0.00 0.00 175.26 174.87 2diy h ALA 77 N 9.32 2.32 0.00 6.30 0.00 -1.86 1.66 119.26 137.01 2diy h ALA 77 Ca -0.27 0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 2diy h ALA 77 Cb 1.08 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 2diy h ALA 77 CO 1.09 -0.93 -0.57 0.93 0.00 0.00 0.00 179.25 179.77 2diy h GLU 78 N 0.21 0.00 0.16 0.00 4.39 -1.91 -3.31 114.58 114.13 2diy h GLU 78 Ca 0.76 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 60.19 2diy h GLU 78 Cb 2.06 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 30.74 2diy h GLU 78 CO -0.50 0.35 -1.16 0.78 -1.16 0.00 0.00 179.01 177.32 2diy h GLY 79 N 3.65 0.57 -7.10 -3.84 0.00 0.19 -3.40 103.07 93.13 2diy h GLY 79 Ca -0.03 -1.31 -0.62 0.00 0.00 0.00 0.00 47.33 45.37 2diy h GLY 79 CO 0.05 1.15 -0.60 0.14 0.00 0.00 0.00 176.54 177.27 2diy s VAL 80 N -2.73 2.70 0.17 4.60 1.01 0.84 -4.83 120.40 122.17 2diy s VAL 80 Ca -0.11 -4.01 0.29 0.00 0.00 0.00 0.00 61.98 58.15 2diy s VAL 80 Cb 0.04 -2.80 0.31 0.00 0.00 0.00 0.00 36.38 33.93 2diy s VAL 80 CO 0.90 -0.98 1.94 1.55 0.00 0.00 0.00 175.10 178.51 2diy h PRO 81 N 5.62 0.00 0.40 2.72 0.13 -1.79 -3.11 132.00 135.97 2diy h PRO 81 Ca 0.11 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.22 2diy h PRO 81 Cb 0.79 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.91 2diy h PRO 81 CO 0.69 0.11 -0.25 1.49 -0.23 0.00 0.00 178.00 179.82 2diy h GLU 82 N 0.00 -0.59 -0.21 0.86 4.57 -1.91 -0.68 114.58 116.62 2diy h GLU 82 Ca -0.00 0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.20 2diy h GLU 82 Cb 0.58 0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.29 2diy h GLU 82 CO 0.01 -0.40 0.04 0.28 -1.18 0.00 0.00 179.01 177.77 2diy h VAL 83 N -0.62 1.22 -0.99 0.32 2.07 -1.97 -2.91 116.25 113.38 2diy h VAL 83 Ca -0.04 -0.72 0.16 0.00 0.82 0.00 0.00 66.70 66.92 2diy h VAL 83 Cb 0.51 1.29 -0.10 0.00 -1.52 0.00 0.00 31.29 31.47 2diy h VAL 83 CO 0.04 0.22 0.60 0.28 0.02 0.00 0.00 177.57 178.74 2diy h SER 84 N 0.15 0.81 0.93 0.57 0.02 -1.47 -2.37 113.55 112.20 2diy h SER 84 Ca 0.07 0.08 -0.05 0.00 -0.84 0.00 0.00 61.79 61.05 2diy h SER 84 Cb 0.30 -0.07 0.01 0.00 0.14 0.00 0.00 62.40 62.78 2diy h SER 84 CO 0.00 0.35 -0.45 -0.08 -1.14 0.00 0.00 176.83 175.52 2diy h GLU 85 N 0.84 -1.21 -0.65 3.45 4.57 -0.93 1.64 114.58 122.29 2diy h GLU 85 Ca 0.54 0.08 0.07 0.00 -1.18 0.00 0.00 59.36 58.86 2diy h GLU 85 Cb 0.71 0.27 -0.10 0.00 -0.16 0.00 0.00 28.75 29.48 2diy h GLU 85 CO -0.34 -0.81 -0.56 -0.22 -1.18 0.00 0.00 179.01 175.91 2diy h LYS 86 N -1.27 -0.21 0.00 1.92 3.64 -1.26 0.53 116.57 119.91 2diy h LYS 86 Ca -0.13 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 2diy h LYS 86 Cb 0.96 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 2diy h LYS 86 CO 0.21 -0.14 0.00 0.66 -2.27 0.00 0.00 179.45 177.91 2diy n TYR 87 N -5.26 0.60 -3.13 1.91 4.01 -0.98 -4.90 117.16 109.40 2diy n TYR 87 Ca -0.01 0.20 -0.19 0.00 -0.16 0.00 0.00 57.90 57.73 2diy n TYR 87 Cb 0.30 -0.82 0.05 0.00 -0.31 0.00 0.00 39.34 38.56 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 -2.01 -5.26 -2.08 -0.72 1.02 0.52 -4.89 120.64 107.22 2diy n GLU 88 Ca 0.05 0.74 -0.37 0.00 -0.02 0.00 0.00 57.16 57.55 2diy n GLU 88 Cb 0.33 -5.33 -0.03 0.00 -0.02 0.00 0.00 31.44 26.38 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 -3.16 3.39 -0.29 -3.67 -1.09 0.12 -4.80 121.20 111.70 2diy s ILE 89 Ca 0.36 0.14 0.08 0.00 -2.23 0.00 0.00 60.65 59.00 2diy s ILE 89 Cb -0.16 -4.02 0.46 0.00 -1.58 0.00 0.00 42.46 37.17 2diy s ILE 89 CO 0.44 -0.98 1.19 -0.24 -1.23 0.00 0.00 174.94 174.12 2diy n SER 90 N 12.65 4.68 -3.64 3.58 2.88 -1.26 -4.87 113.62 127.65 2diy n SER 90 Ca 0.22 -3.71 -0.05 0.00 -1.33 0.00 0.00 58.87 53.99 2diy n SER 90 Cb 0.51 -0.35 -0.07 0.00 -0.75 0.00 0.00 64.21 63.55 2diy n SER 90 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2diy s SER 91 N -3.59 -0.84 0.12 -3.46 0.01 -1.26 -5.18 113.70 99.51 2diy s SER 91 Ca 0.50 1.32 0.06 0.00 1.31 0.00 0.00 55.95 59.14 2diy s SER 91 Cb 0.41 1.41 -0.04 0.00 0.21 0.00 0.00 66.02 68.01 2diy s SER 91 CO 0.03 -0.21 -0.14 0.68 0.41 0.00 0.00 173.24 174.02 2diy s VAL 92 N 1.67 1.31 0.90 3.43 -7.23 -1.26 -4.13 120.40 115.08 2diy s VAL 92 Ca -0.09 -1.70 -0.12 0.00 -1.81 0.00 0.00 61.98 58.26 2diy s VAL 92 Cb -0.05 -1.51 0.13 0.00 0.56 0.00 0.00 36.38 35.50 2diy s VAL 92 CO -0.19 -0.42 1.09 -2.16 -0.31 0.00 0.00 175.10 173.12 2diy s PRO 93 N -2.65 1.26 0.08 4.82 0.04 -1.26 -4.84 135.00 132.45 2diy s PRO 93 Ca 0.08 0.82 0.03 0.00 0.04 0.00 0.00 61.00 61.98 2diy s PRO 93 Cb -0.05 -1.81 -0.03 0.00 0.04 0.00 0.00 34.50 32.65 2diy s PRO 93 CO 0.03 -2.24 -0.10 0.99 0.04 0.00 0.00 177.00 175.72 2diy s THR 94 N -2.94 0.87 -0.18 1.26 2.01 -1.24 -3.24 115.64 112.19 2diy s THR 94 Ca 0.63 -1.50 -0.05 0.00 0.31 0.00 0.00 61.69 61.09 2diy s THR 94 Cb -0.18 -1.19 0.07 0.00 0.01 0.00 0.00 72.50 71.21 2diy s THR 94 CO 0.57 -0.49 0.11 -0.36 -0.69 0.00 0.00 174.62 173.76 2diy s PHE 95 N -2.13 0.10 -0.36 4.92 0.08 -0.87 -1.71 117.98 118.01 2diy s PHE 95 Ca 0.02 -0.21 -0.03 0.00 0.12 0.00 0.00 56.93 56.83 2diy s PHE 95 Cb -0.05 -0.63 0.08 0.00 -0.57 0.00 0.00 43.02 41.85 2diy s PHE 95 CO 0.00 -0.53 0.11 -0.51 -0.10 0.00 0.00 175.22 174.20 2diy s LEU 96 N 2.17 4.62 -0.65 -0.37 1.43 -0.62 -0.58 118.68 124.69 2diy s LEU 96 Ca 0.03 -1.64 -0.28 0.00 -1.03 0.00 0.00 54.13 51.21 2diy s LEU 96 Cb -0.16 -1.79 0.03 0.00 0.03 0.00 0.00 46.19 44.30 2diy s LEU 96 CO -0.10 -0.41 1.29 -0.36 0.23 0.00 0.00 176.35 177.00 2diy s PHE 97 N 1.21 2.38 -0.28 0.29 0.40 0.58 -1.52 117.98 121.04 2diy s PHE 97 Ca 0.02 0.24 -0.14 0.00 -0.60 0.00 0.00 56.93 56.45 2diy s PHE 97 Cb -0.21 -4.53 -0.04 0.00 0.51 0.00 0.00 43.02 38.75 2diy s PHE 97 CO -0.02 -1.88 0.32 -0.06 0.70 0.00 0.00 175.22 174.27 2diy s PHE 98 N 5.61 3.23 -0.37 0.36 0.08 0.16 -1.90 117.98 125.16 2diy s PHE 98 Ca 0.42 0.28 0.04 0.00 0.12 0.00 0.00 56.93 57.79 2diy s PHE 98 Cb -0.08 -2.53 0.10 0.00 -0.57 0.00 0.00 43.02 39.94 2diy s PHE 98 CO 0.21 -0.23 0.08 0.21 -0.10 0.00 0.00 175.22 175.39 2diy s LYS 99 N 1.98 1.55 -0.48 0.44 2.47 0.43 -1.75 119.74 124.37 2diy s LYS 99 Ca 0.12 -1.98 -0.01 0.00 -1.56 0.00 0.00 55.97 52.55 2diy s LYS 99 Cb -0.16 -3.22 0.00 0.00 -1.46 0.00 0.00 37.83 32.99 2diy s LYS 99 CO 0.10 -0.96 0.41 -1.71 0.16 0.00 0.00 175.35 173.35 2diy n ASN 100 N 4.09 -2.38 -2.73 1.43 2.85 -0.72 -3.27 115.26 114.53 2diy n ASN 100 Ca 0.04 -0.24 -0.22 0.00 -0.11 0.00 0.00 54.58 54.06 2diy n ASN 100 Cb 0.41 -2.30 0.02 0.00 1.24 0.00 0.00 39.78 39.14 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 -1.50 -6.06 -3.69 1.20 7.64 -1.26 -4.98 113.62 104.98 2diy n SER 101 Ca -0.09 -0.17 -0.11 0.00 1.01 0.00 0.00 58.87 59.51 2diy n SER 101 Cb 0.56 -4.96 -0.12 0.00 -1.01 0.00 0.00 64.21 58.68 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 -5.41 0.27 -0.05 1.43 -0.21 -1.20 -5.13 119.66 109.36 2diy s GLN 102 Ca 0.17 0.77 -0.30 0.00 0.02 0.00 0.00 55.36 56.02 2diy s GLN 102 Cb -0.07 0.02 -0.05 0.00 1.00 0.00 0.00 33.01 33.91 2diy s GLN 102 CO 0.21 -0.21 1.51 0.21 -2.12 0.00 0.00 175.29 174.89 2diy s LYS 103 N 1.87 4.22 -0.03 2.91 2.20 -1.26 -0.42 119.74 129.23 2diy s LYS 103 Ca -0.05 2.03 0.03 0.00 -0.36 0.00 0.00 55.97 57.62 2diy s LYS 103 Cb -0.11 -3.80 -0.04 0.00 -1.51 0.00 0.00 37.83 32.38 2diy s LYS 103 CO -0.11 -0.73 0.02 0.44 -0.36 0.00 0.00 175.35 174.61 2diy n ILE 104 N 5.17 0.18 -4.02 5.43 -5.35 -0.80 -4.94 119.36 115.03 2diy n ILE 104 Ca 0.15 -0.13 -0.08 0.00 -0.27 0.00 0.00 62.75 62.43 2diy n ILE 104 Cb 0.43 -0.65 -0.09 0.00 -1.74 0.00 0.00 39.64 37.59 2diy n ILE 104 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 2diy s ASP 105 N -3.20 0.34 -0.28 7.28 1.11 -1.20 -5.04 116.67 115.68 2diy s ASP 105 Ca -0.02 -0.91 -0.19 0.00 0.18 0.00 0.00 52.55 51.62 2diy s ASP 105 Cb 0.01 0.26 0.09 0.00 1.07 0.00 0.00 42.92 44.35 2diy s ASP 105 CO 0.13 -0.66 0.75 -0.60 1.18 0.00 0.00 175.17 175.97 2diy s ARG 106 N -3.92 0.69 -0.27 8.23 3.52 -1.26 -0.31 118.95 125.63 2diy s ARG 106 Ca 0.08 1.06 0.01 0.00 -0.13 0.00 0.00 55.73 56.76 2diy s ARG 106 Cb 0.07 0.21 0.05 0.00 -1.56 0.00 0.00 34.95 33.72 2diy s ARG 106 CO -0.09 -0.12 -0.07 -1.17 -0.81 0.00 0.00 175.30 173.04 2diy s LEU 107 N 1.19 3.57 -0.21 -0.88 0.20 0.25 -5.00 118.68 117.81 2diy s LEU 107 Ca -0.06 -1.31 -0.15 0.00 0.69 0.00 0.00 54.13 53.30 2diy s LEU 107 Cb -0.05 -1.61 -0.04 0.00 -0.43 0.00 0.00 46.19 44.05 2diy s LEU 107 CO -0.13 -0.21 0.34 1.51 -0.29 0.00 0.00 176.35 177.57 2diy s ASP 108 N 1.17 6.37 0.00 3.68 -4.77 -1.26 -2.06 116.67 119.81 2diy s ASP 108 Ca -0.07 0.43 0.00 0.00 -3.30 0.00 0.00 52.55 49.62 2diy s ASP 108 Cb -0.20 -2.20 0.00 0.00 -1.09 0.00 0.00 42.92 39.43 2diy s ASP 108 CO -0.04 -0.04 0.00 0.61 0.70 0.00 0.00 175.17 176.41 2diy n GLY 109 N 3.95 2.82 3.57 2.12 0.00 -1.20 -4.90 105.19 111.54 2diy n GLY 109 Ca -0.10 -1.75 -0.36 0.00 0.00 0.00 0.00 46.02 43.81 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 2.43 -0.28 4.61 0.00 -1.26 -4.80 121.76 120.44 2diy s ALA 110 Ca 0.00 -2.15 -0.01 0.00 0.00 0.00 0.00 51.96 49.79 2diy s ALA 110 Cb 0.00 -4.57 0.04 0.00 0.00 0.00 0.00 23.12 18.59 2diy s ALA 110 CO 0.00 -4.07 -0.02 -1.01 0.00 0.00 0.00 175.76 170.66 2diy s HIS 111 N 6.90 3.22 0.02 0.00 4.02 -1.26 -5.01 115.29 123.18 2diy s HIS 111 Ca 0.56 -1.83 -0.28 0.00 1.02 0.00 0.00 55.06 54.53 2diy s HIS 111 Cb -0.01 -2.08 -0.16 0.00 -1.02 0.00 0.00 32.58 29.31 2diy s HIS 111 CO -0.02 -0.79 1.18 0.00 1.02 0.00 0.00 174.74 176.13 2diy h ALA 112 N 7.98 -0.97 -0.01 -1.40 0.00 -2.00 -2.55 119.26 120.32 2diy h ALA 112 Ca -0.24 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 2diy h ALA 112 Cb 1.07 0.37 -0.00 0.00 0.00 0.00 0.00 17.79 19.23 2diy h ALA 112 CO 0.54 -0.91 -0.01 -1.00 0.00 0.00 0.00 179.25 177.86 2diy h PRO 113 N -1.22 0.02 -0.99 0.00 0.13 -2.01 -3.13 132.00 124.81 2diy h PRO 113 Ca -0.10 -0.01 0.25 0.00 -0.87 0.00 0.00 66.00 65.26 2diy h PRO 113 Cb 0.75 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.81 2diy h PRO 113 CO 0.16 0.50 0.65 1.49 -0.23 0.00 0.00 178.00 180.58 2diy h GLU 114 N -0.46 0.34 0.65 0.86 4.57 -1.99 -2.02 114.58 116.54 2diy h GLU 114 Ca 0.00 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.13 2diy h GLU 114 Cb 0.50 -0.08 0.01 0.00 -0.16 0.00 0.00 28.75 29.02 2diy h GLU 114 CO 0.00 0.23 -0.31 1.25 -1.18 0.00 0.00 179.01 178.99 2diy h LEU 115 N 0.35 -0.74 -0.62 1.64 5.85 -1.41 -3.05 115.31 117.32 2diy h LEU 115 Ca 0.53 0.03 0.11 0.00 0.84 0.00 0.00 57.88 59.38 2diy h LEU 115 Cb 1.43 0.19 -0.12 0.00 0.37 0.00 0.00 40.66 42.54 2diy h LEU 115 CO -0.21 -0.43 -0.36 0.74 -0.34 0.00 0.00 178.44 177.84 2diy h THR 116 N -1.08 0.14 -0.70 1.05 2.02 -1.34 -0.46 112.91 112.55 2diy h THR 116 Ca -0.09 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.16 2diy h THR 116 Cb 0.67 0.14 -0.09 0.00 -1.74 0.00 0.00 68.15 67.13 2diy h THR 116 CO 0.15 0.00 -0.51 0.11 0.37 0.00 0.00 175.52 175.64 2diy h LYS 117 N -0.16 -0.11 0.21 6.66 1.57 -1.45 0.25 116.57 123.53 2diy h LYS 117 Ca 0.23 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 59.03 2diy h LYS 117 Cb 0.56 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.86 2diy h LYS 117 CO -0.71 -0.08 -0.30 0.87 -0.57 0.00 0.00 179.45 178.66 2diy h LYS 118 N -0.12 -0.56 -0.37 3.15 1.57 -1.20 -0.34 116.57 118.70 2diy h LYS 118 Ca 0.11 0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.98 2diy h LYS 118 Cb 0.41 0.13 -0.07 0.00 0.08 0.00 0.00 32.23 32.78 2diy h LYS 118 CO -0.72 -0.37 -0.51 0.28 -0.57 0.00 0.00 179.45 177.56 2diy h VAL 119 N -0.58 0.00 0.09 0.50 2.07 0.00 -0.53 116.25 117.80 2diy h VAL 119 Ca 0.01 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.55 2diy h VAL 119 Cb 0.57 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.29 2diy h VAL 119 CO -0.12 0.00 -0.37 1.56 0.02 0.00 0.00 177.57 178.66 2diy h GLN 120 N -0.36 -0.56 -0.50 1.57 4.20 -0.43 0.23 115.11 119.26 2diy h GLN 120 Ca 0.07 0.04 0.05 0.00 0.06 0.00 0.00 58.65 58.86 2diy h GLN 120 Cb 0.54 0.13 -0.07 0.00 0.30 0.00 0.00 27.48 28.37 2diy h GLN 120 CO -0.54 -0.37 -0.40 -0.09 -0.67 0.00 0.00 178.83 176.75 2diy h ARG 121 N -0.58 -0.13 0.25 1.46 2.43 -0.44 -1.83 114.38 115.55 2diy h ARG 121 Ca 0.03 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2diy h ARG 121 Cb 0.62 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.19 2diy h ARG 121 CO -0.24 -0.09 -0.24 0.45 -1.51 0.00 0.00 179.97 178.35 2diy h HIS 122 N -0.13 -0.64 -1.13 2.20 3.86 -0.92 -2.18 115.15 116.20 2diy h HIS 122 Ca 0.08 0.00 0.36 0.00 -1.16 0.00 0.00 60.37 59.66 2diy h HIS 122 Cb 0.35 0.25 -0.08 0.00 1.06 0.00 0.00 27.41 28.98 2diy h HIS 122 CO -0.85 -0.36 0.76 0.00 0.86 0.00 0.00 177.93 178.34 2diy n ALA 123 N -2.50 1.11 -3.43 2.45 0.00 0.80 -4.74 120.51 114.20 2diy n ALA 123 Ca -0.09 0.57 -0.18 0.00 0.00 0.00 0.00 53.44 53.74 2diy n ALA 123 Cb 0.27 -0.78 0.07 0.00 0.00 0.00 0.00 19.45 19.02 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 -3.86 -3.96 -4.31 0.00 2.88 -0.82 -5.01 113.62 98.54 2diy n SER 124 Ca 0.30 -0.73 -0.23 0.00 -1.33 0.00 0.00 58.87 56.88 2diy n SER 124 Cb 1.23 -4.82 0.13 0.00 -0.75 0.00 0.00 64.21 60.00 2diy n SER 124 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2diy n SER 125 N -3.11 1.07 -4.11 -3.46 2.88 -1.26 -5.06 113.62 100.56 2diy n SER 125 Ca -0.19 -1.97 -0.37 0.00 -1.33 0.00 0.00 58.87 55.02 2diy n SER 125 Cb 0.65 -0.68 -0.10 0.00 -0.75 0.00 0.00 64.21 63.32 2diy n SER 125 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2diy s GLY 126 N -5.12 2.32 0.00 0.46 0.00 -1.26 -4.92 107.32 98.80 2diy s GLY 126 Ca 0.65 -2.99 0.11 0.00 0.00 0.00 0.00 44.72 42.49 2diy s GLY 126 CO 0.43 1.08 1.11 -1.55 0.00 0.00 0.00 173.10 174.17 2diy n PRO 127 N 3.92 0.49 -1.32 2.90 -0.04 -1.26 -4.87 135.00 134.81 2diy n PRO 127 Ca 0.04 0.00 -0.52 0.00 -0.04 0.00 0.00 63.50 62.98 2diy n PRO 127 Cb 0.39 -1.36 -0.08 0.00 -0.04 0.00 0.00 33.50 32.41 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 -0.86 0.91 -4.46 3.54 7.64 -1.26 -4.80 113.62 114.32 2diy n SER 128 Ca 0.08 0.89 -0.43 0.00 1.01 0.00 0.00 58.87 60.42 2diy n SER 128 Cb 0.04 -0.68 -0.03 0.00 -1.01 0.00 0.00 64.21 62.53 2diy n SER 128 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2diy s SER 129 N 2.47 6.52 0.00 6.43 0.15 -1.26 -5.30 113.70 122.71 2diy s SER 129 Ca 0.82 -1.77 0.00 0.00 0.70 0.00 0.00 55.95 55.70 2diy s SER 129 Cb -1.16 -2.42 0.00 0.00 -1.71 0.00 0.00 66.02 60.74 2diy s SER 129 CO 0.62 -1.18 0.00 0.61 1.20 0.00 0.00 173.24 174.50