#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 0.68 -0.05 1.61 0.01 -1.26 -5.06 113.70 109.64 2diy s SER 2 Ca 0.00 1.46 -0.04 0.00 1.31 0.00 0.00 55.95 58.68 2diy s SER 2 Cb 0.00 -2.26 0.02 0.00 0.21 0.00 0.00 66.02 63.99 2diy s SER 2 CO 0.00 -4.38 0.13 -0.55 0.41 0.00 0.00 173.24 168.85 2diy s SER 3 N -2.50 -0.11 0.35 2.44 0.15 -1.26 -5.15 113.70 107.62 2diy s SER 3 Ca 0.69 0.26 -0.26 0.00 0.70 0.00 0.00 55.95 57.34 2diy s SER 3 Cb -0.25 0.22 -0.09 0.00 -1.71 0.00 0.00 66.02 64.18 2diy s SER 3 CO 0.65 -0.09 1.03 -0.83 1.20 0.00 0.00 173.24 175.20 2diy s GLY 4 N 0.51 2.84 -0.15 9.45 0.00 -1.26 -5.05 107.32 113.67 2diy s GLY 4 Ca -0.04 0.69 0.02 0.00 0.00 0.00 0.00 44.72 45.40 2diy s GLY 4 CO -0.02 1.17 -0.21 -0.45 0.00 0.00 0.00 173.10 173.59 2diy s SER 5 N -1.42 3.04 -0.43 1.64 0.15 -1.26 -5.10 113.70 110.33 2diy s SER 5 Ca 0.52 -0.59 -0.14 0.00 0.70 0.00 0.00 55.95 56.44 2diy s SER 5 Cb -0.23 -1.41 0.05 0.00 -1.71 0.00 0.00 66.02 62.71 2diy s SER 5 CO 0.30 0.05 0.32 -0.55 1.20 0.00 0.00 173.24 174.55 2diy s SER 6 N 0.97 6.01 -0.53 5.45 0.15 -1.26 -5.00 113.70 119.48 2diy s SER 6 Ca -0.04 -1.14 0.04 0.00 0.70 0.00 0.00 55.95 55.51 2diy s SER 6 Cb -0.15 -2.13 0.16 0.00 -1.71 0.00 0.00 66.02 62.20 2diy s SER 6 CO -0.05 -0.52 0.38 -0.83 1.20 0.00 0.00 173.24 173.42 2diy s GLY 7 N 2.05 1.97 -0.87 9.45 0.00 -1.26 -5.04 107.32 113.63 2diy s GLY 7 Ca 0.04 -3.03 -0.11 0.00 0.00 0.00 0.00 44.72 41.62 2diy s GLY 7 CO 0.07 1.61 0.80 1.06 0.00 0.00 0.00 173.10 176.64 2diy s MET 8 N -0.50 3.58 -0.77 2.90 1.00 -1.26 -4.97 119.30 119.28 2diy s MET 8 Ca 0.27 -2.69 -0.02 0.00 0.00 0.00 0.00 55.69 53.25 2diy s MET 8 Cb -0.04 -4.34 0.19 0.00 0.00 0.00 0.00 34.83 30.64 2diy s MET 8 CO -0.15 -1.26 0.62 0.00 0.00 0.00 0.00 175.02 174.23 2diy s ALA 9 N -0.27 3.94 -0.78 3.03 0.00 -1.26 -5.00 121.76 121.42 2diy s ALA 9 Ca 0.21 -3.58 -0.08 0.00 0.00 0.00 0.00 51.96 48.51 2diy s ALA 9 Cb -0.11 -2.76 0.20 0.00 0.00 0.00 0.00 23.12 20.45 2diy s ALA 9 CO -0.08 -2.14 0.67 0.00 0.00 0.00 0.00 175.76 174.21 2diy s ALA 10 N -0.76 3.95 -1.26 0.00 0.00 -1.26 -4.77 121.76 117.66 2diy s ALA 10 Ca 0.23 -3.39 -0.31 0.00 0.00 0.00 0.00 51.96 48.48 2diy s ALA 10 Cb -0.13 -3.14 0.04 0.00 0.00 0.00 0.00 23.12 19.90 2diy s ALA 10 CO -0.09 -2.20 0.61 0.41 0.00 0.00 0.00 175.76 174.49 2diy n GLY 11 N 3.54 -0.75 2.50 0.00 0.00 -1.26 -4.81 105.19 104.41 2diy n GLY 11 Ca 0.13 0.32 -0.33 0.00 0.00 0.00 0.00 46.02 46.14 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 -5.02 6.59 -3.27 4.61 0.00 -1.26 -4.77 120.51 117.39 2diy n ALA 12 Ca -0.14 -3.52 0.03 0.00 0.00 0.00 0.00 53.44 49.82 2diy n ALA 12 Cb 0.58 -2.39 -0.04 0.00 0.00 0.00 0.00 19.45 17.60 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 -1.61 -3.08 0.60 0.00 0.00 -1.26 -5.17 121.76 111.25 2diy s ALA 13 Ca 0.56 1.84 -0.14 0.00 0.00 0.00 0.00 51.96 54.22 2diy s ALA 13 Cb 0.30 -2.23 -0.04 0.00 0.00 0.00 0.00 23.12 21.15 2diy s ALA 13 CO -0.17 -1.04 1.04 -1.83 0.00 0.00 0.00 175.76 173.75 2diy s GLU 14 N 2.36 3.43 -0.26 0.00 -1.05 -1.26 -5.08 118.70 116.83 2diy s GLU 14 Ca -0.01 1.01 -0.19 0.00 -0.15 0.00 0.00 54.97 55.63 2diy s GLU 14 Cb -0.04 -2.06 0.07 0.00 -0.44 0.00 0.00 34.13 31.66 2diy s GLU 14 CO -0.16 -0.71 0.67 0.00 0.95 0.00 0.00 175.26 176.01 2diy s ALA 15 N -2.75 -1.75 -0.27 -0.84 0.00 -1.26 -5.17 121.76 109.73 2diy s ALA 15 Ca 0.60 2.15 -0.26 0.00 0.00 0.00 0.00 51.96 54.45 2diy s ALA 15 Cb -0.13 -1.26 0.15 0.00 0.00 0.00 0.00 23.12 21.88 2diy s ALA 15 CO 0.42 -0.35 1.18 0.00 0.00 0.00 0.00 175.76 177.02 2diy s ALA 16 N 1.03 -2.06 -0.16 0.00 0.00 -1.26 -5.14 121.76 114.17 2diy s ALA 16 Ca -0.05 1.78 -0.01 0.00 0.00 0.00 0.00 51.96 53.68 2diy s ALA 16 Cb -0.05 -1.47 -0.00 0.00 0.00 0.00 0.00 23.12 21.59 2diy s ALA 16 CO -0.10 -0.20 -0.13 0.08 0.00 0.00 0.00 175.76 175.41 2diy s VAL 17 N -0.07 2.85 -0.86 0.00 1.01 -1.26 -5.02 120.40 117.04 2diy s VAL 17 Ca 0.04 -0.71 -0.01 0.00 0.00 0.00 0.00 61.98 61.31 2diy s VAL 17 Cb -0.04 -2.22 0.35 0.00 0.00 0.00 0.00 36.38 34.47 2diy s VAL 17 CO -0.09 0.50 1.83 0.00 0.00 0.00 0.00 175.10 177.35 2diy n ALA 18 N 4.08 6.17 -2.46 5.51 0.00 -1.26 -4.98 120.51 127.58 2diy n ALA 18 Ca -0.19 -4.32 -0.25 0.00 0.00 0.00 0.00 53.44 48.69 2diy n ALA 18 Cb 0.52 -1.87 -0.12 0.00 0.00 0.00 0.00 19.45 17.98 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 -4.08 2.15 -0.52 0.00 0.00 -1.26 -4.05 121.76 114.00 2diy s ALA 19 Ca 0.48 -1.48 -0.25 0.00 0.00 0.00 0.00 51.96 50.71 2diy s ALA 19 Cb 0.35 -0.26 0.04 0.00 0.00 0.00 0.00 23.12 23.25 2diy s ALA 19 CO -0.30 0.35 0.96 0.08 0.00 0.00 0.00 175.76 176.86 2diy s VAL 20 N -1.63 4.37 0.42 0.00 1.01 -1.26 -4.57 120.40 118.74 2diy s VAL 20 Ca 0.15 0.51 -0.24 0.00 0.00 0.00 0.00 61.98 62.40 2diy s VAL 20 Cb -0.08 -4.53 -0.08 0.00 0.00 0.00 0.00 36.38 31.69 2diy s VAL 20 CO 0.07 -1.05 1.08 -1.61 0.00 0.00 0.00 175.10 173.60 2diy s GLU 21 N 4.00 4.04 -0.19 2.72 0.41 -0.84 -4.84 118.70 124.00 2diy s GLU 21 Ca 0.34 1.59 -0.12 0.00 -0.41 0.00 0.00 54.97 56.37 2diy s GLU 21 Cb -0.11 -2.49 -0.05 0.00 -1.78 0.00 0.00 34.13 29.70 2diy s GLU 21 CO 0.22 -0.27 0.23 -1.83 -0.49 0.00 0.00 175.26 173.12 2diy s GLU 22 N -2.57 4.20 -0.27 1.61 4.04 -1.26 -1.10 118.70 123.35 2diy s GLU 22 Ca 0.60 -0.06 -0.03 0.00 0.04 0.00 0.00 54.97 55.52 2diy s GLU 22 Cb -0.24 -3.46 0.02 0.00 0.02 0.00 0.00 34.13 30.48 2diy s GLU 22 CO 0.30 0.20 -0.02 0.08 -1.84 0.00 0.00 175.26 173.97 2diy s VAL 23 N 0.63 3.16 -0.23 1.83 1.01 0.55 -4.95 120.40 122.40 2diy s VAL 23 Ca 0.12 -0.98 0.10 0.00 0.00 0.00 0.00 61.98 61.23 2diy s VAL 23 Cb -0.13 -2.63 0.43 0.00 0.00 0.00 0.00 36.38 34.05 2diy s VAL 23 CO 0.02 0.14 1.21 0.61 0.00 0.00 0.00 175.10 177.08 2diy n GLY 24 N 4.71 5.40 3.64 4.51 0.00 -1.26 -3.60 105.19 118.59 2diy n GLY 24 Ca -0.16 -1.66 -0.07 0.00 0.00 0.00 0.00 46.02 44.14 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 -3.32 -0.57 0.24 1.61 1.04 -1.26 -4.84 113.70 106.59 2diy s SER 25 Ca 0.41 0.99 -0.06 0.00 0.48 0.00 0.00 55.95 57.78 2diy s SER 25 Cb 0.38 1.13 0.30 0.00 0.10 0.00 0.00 66.02 67.94 2diy s SER 25 CO -0.04 -0.16 1.87 0.00 0.98 0.00 0.00 173.24 175.88 2diy h ALA 26 N 5.42 1.17 -0.75 5.32 0.00 -1.94 -1.89 119.26 126.59 2diy h ALA 26 Ca -0.29 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.67 2diy h ALA 26 Cb 1.19 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.66 2diy h ALA 26 CO 0.15 0.34 0.49 0.78 0.00 0.00 0.00 179.25 181.01 2diy h GLY 27 N 1.03 1.01 0.75 0.00 0.00 -1.98 -0.60 103.07 103.28 2diy h GLY 27 Ca 0.36 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.37 2diy h GLY 27 CO -0.15 0.23 0.01 -1.61 0.00 0.00 0.00 176.54 175.02 2diy h GLN 28 N 0.78 0.09 0.55 4.80 4.15 -1.76 -0.39 115.11 123.32 2diy h GLN 28 Ca 0.33 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.69 2diy h GLN 28 Cb 0.28 -0.01 0.01 0.00 0.21 0.00 0.00 27.48 27.96 2diy h GLN 28 CO -0.11 0.34 -0.26 0.35 -1.93 0.00 0.00 178.83 177.22 2diy h PHE 29 N -0.17 -0.68 -0.63 3.99 3.57 -1.23 0.32 116.94 122.11 2diy h PHE 29 Ca 0.02 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.59 2diy h PHE 29 Cb 0.30 0.22 -0.04 0.00 2.79 0.00 0.00 35.95 39.22 2diy h PHE 29 CO 0.02 -0.39 0.42 0.93 -2.23 0.00 0.00 178.31 177.06 2diy h GLU 30 N -0.82 0.45 -0.10 1.11 4.39 -1.18 -0.91 114.58 117.54 2diy h GLU 30 Ca -0.07 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.55 2diy h GLU 30 Cb 0.60 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.14 2diy h GLU 30 CO 0.12 0.30 -0.12 1.49 -1.16 0.00 0.00 179.01 179.65 2diy h GLU 31 N 0.47 0.25 -0.41 2.33 4.81 -0.77 -3.26 114.58 118.00 2diy h GLU 31 Ca 0.29 -0.14 0.01 0.00 -0.13 0.00 0.00 59.36 59.39 2diy h GLU 31 Cb 0.51 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 2diy h GLU 31 CO -0.09 0.69 0.25 1.25 -0.73 0.00 0.00 179.01 180.39 2diy h LEU 32 N -0.17 0.42 -1.42 1.64 5.85 -0.20 -2.32 115.31 119.10 2diy h LEU 32 Ca 0.01 -0.00 0.44 0.00 0.84 0.00 0.00 57.88 59.17 2diy h LEU 32 Cb 0.65 -0.10 -0.09 0.00 0.37 0.00 0.00 40.66 41.50 2diy h LEU 32 CO 0.03 0.31 0.98 0.18 -0.34 0.00 0.00 178.44 179.59 2diy n LEU 33 N -4.83 0.09 -0.01 2.25 4.77 -0.41 0.17 117.00 119.02 2diy n LEU 33 Ca 0.01 1.00 -0.17 0.00 -0.03 0.00 0.00 56.01 56.82 2diy n LEU 33 Cb 0.04 -0.50 -0.14 0.00 -2.33 0.00 0.00 43.42 40.50 2diy n LEU 33 CO 0.33 -1.05 0.22 0.03 -1.33 0.00 0.00 177.39 175.59 2diy h ARG 34 N 0.00 0.16 0.62 3.23 3.08 -1.55 -2.88 114.38 117.04 2diy h ARG 34 Ca 0.77 -0.26 -0.03 0.00 0.07 0.00 0.00 59.98 60.52 2diy h ARG 34 Cb 2.80 0.10 0.01 0.00 0.08 0.00 0.00 29.97 32.95 2diy h ARG 34 CO -0.20 1.11 -0.30 -0.07 -1.07 0.00 0.00 179.97 179.45 2diy h LEU 35 N -0.65 -0.70 -3.54 3.04 3.38 0.17 -2.92 115.31 114.08 2diy h LEU 35 Ca -0.07 -0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.53 2diy h LEU 35 Cb 1.32 0.18 -0.16 0.00 0.09 0.00 0.00 40.66 42.09 2diy h LEU 35 CO 0.08 -0.45 0.48 0.29 0.09 0.00 0.00 178.44 178.92 2diy n LYS 36 N -5.42 1.92 0.11 1.13 4.76 0.37 -4.57 118.16 116.46 2diy n LYS 36 Ca -0.13 -1.81 -0.05 0.00 -2.87 0.00 0.00 58.31 53.46 2diy n LYS 36 Cb 0.35 -1.71 -0.02 0.00 -1.84 0.00 0.00 35.03 31.81 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 1.55 -0.69 -0.96 7.82 0.00 -1.30 -3.27 119.26 122.41 2diy h ALA 37 Ca 0.34 -0.07 0.15 0.00 0.00 0.00 0.00 54.91 55.33 2diy h ALA 37 Cb 0.93 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.75 2diy h ALA 37 CO 0.87 -0.66 0.61 0.87 0.00 0.00 0.00 179.25 180.93 2diy h LYS 38 N -0.46 0.78 -7.41 0.00 6.56 -1.84 0.51 116.57 114.72 2diy h LYS 38 Ca -0.03 -0.05 -0.50 0.00 -1.06 0.00 0.00 60.65 59.01 2diy h LYS 38 Cb 0.24 -0.18 0.09 0.00 -0.57 0.00 0.00 32.23 31.81 2diy h LYS 38 CO 0.05 0.52 0.38 -1.12 -2.06 0.00 0.00 179.45 177.21 2diy s SER 39 N -5.67 5.19 -0.09 0.86 0.01 -1.23 -4.69 113.70 108.08 2diy s SER 39 Ca -0.11 1.34 -0.27 0.00 1.31 0.00 0.00 55.95 58.22 2diy s SER 39 Cb 0.23 -2.17 -0.02 0.00 0.21 0.00 0.00 66.02 64.27 2diy s SER 39 CO 0.80 -1.53 0.88 -0.22 0.41 0.00 0.00 173.24 173.58 2diy s LEU 40 N -5.53 4.27 0.05 2.44 2.96 -1.25 -4.28 118.68 117.35 2diy s LEU 40 Ca 0.59 1.38 0.05 0.00 -0.22 0.00 0.00 54.13 55.92 2diy s LEU 40 Cb -0.13 -3.36 -0.04 0.00 0.50 0.00 0.00 46.19 43.17 2diy s LEU 40 CO 0.54 -0.31 -0.06 -0.22 -1.32 0.00 0.00 176.35 174.98 2diy s LEU 41 N 1.54 3.22 -0.19 -0.68 2.96 -0.90 0.30 118.68 124.93 2diy s LEU 41 Ca 0.44 -0.21 -0.03 0.00 -0.22 0.00 0.00 54.13 54.10 2diy s LEU 41 Cb -0.18 -1.92 0.06 0.00 0.50 0.00 0.00 46.19 44.64 2diy s LEU 41 CO 0.19 0.23 0.04 -0.69 -1.32 0.00 0.00 176.35 174.79 2diy s VAL 42 N -1.14 0.50 -0.54 1.68 1.01 0.27 -1.82 120.40 120.35 2diy s VAL 42 Ca 0.21 -0.55 -0.19 0.00 0.00 0.00 0.00 61.98 61.45 2diy s VAL 42 Cb -0.11 -1.02 0.08 0.00 0.00 0.00 0.00 36.38 35.33 2diy s VAL 42 CO 0.12 -0.22 0.65 -0.69 0.00 0.00 0.00 175.10 174.96 2diy s VAL 43 N 1.87 4.87 -0.27 2.92 1.01 -0.53 -0.06 120.40 130.21 2diy s VAL 43 Ca -0.01 -0.77 -0.17 0.00 0.00 0.00 0.00 61.98 61.03 2diy s VAL 43 Cb -0.17 -4.38 -0.03 0.00 0.00 0.00 0.00 36.38 31.80 2diy s VAL 43 CO -0.08 -0.94 0.50 -2.28 0.00 0.00 0.00 175.10 172.29 2diy s HIS 44 N 2.59 3.26 -0.21 5.22 5.04 0.04 -0.76 115.29 130.48 2diy s HIS 44 Ca 0.13 0.58 -0.28 0.00 -1.54 0.00 0.00 55.06 53.95 2diy s HIS 44 Cb -0.22 -2.71 0.00 0.00 0.04 0.00 0.00 32.58 29.69 2diy s HIS 44 CO 0.09 -0.29 0.97 -0.06 -2.34 0.00 0.00 174.74 173.11 2diy s PHE 45 N 2.28 3.37 -0.09 3.88 0.40 0.83 -1.23 117.98 127.43 2diy s PHE 45 Ca 0.20 1.40 0.03 0.00 -0.60 0.00 0.00 56.93 57.96 2diy s PHE 45 Cb -0.16 -3.19 0.01 0.00 0.51 0.00 0.00 43.02 40.20 2diy s PHE 45 CO 0.09 -0.40 -0.17 1.67 0.70 0.00 0.00 175.22 177.12 2diy s TRP 46 N 2.82 1.98 -0.02 0.36 1.48 -0.41 -3.51 118.94 121.65 2diy s TRP 46 Ca 0.42 -0.82 0.03 0.00 -1.06 0.00 0.00 56.10 54.68 2diy s TRP 46 Cb -0.16 -1.39 -0.03 0.00 -1.16 0.00 0.00 33.47 30.73 2diy s TRP 46 CO 0.09 -0.38 -0.09 0.00 -4.06 0.00 0.00 176.95 172.51 2diy s ALA 47 N 0.63 2.91 -1.28 2.67 0.00 -1.26 -3.31 121.76 122.11 2diy s ALA 47 Ca -0.14 -1.01 0.15 0.00 0.00 0.00 0.00 51.96 50.96 2diy s ALA 47 Cb -0.16 -1.09 0.70 0.00 0.00 0.00 0.00 23.12 22.57 2diy s ALA 47 CO 0.04 0.59 1.43 -0.35 0.00 0.00 0.00 175.76 177.47 2diy n PRO 48 N 1.81 0.14 -0.09 0.00 -0.04 -1.26 -2.65 135.00 132.91 2diy n PRO 48 Ca -0.16 0.18 -0.10 0.00 -0.04 0.00 0.00 63.50 63.38 2diy n PRO 48 Cb 0.53 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.36 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 -1.36 0.00 -2.97 0.54 4.27 -1.26 -4.88 117.44 111.78 2diy n TRP 49 Ca 0.06 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.24 2diy n TRP 49 Cb 0.14 -0.83 -0.05 0.00 -1.36 0.00 0.00 31.31 29.20 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 -2.41 3.28 0.14 -1.67 0.00 -1.08 -4.91 121.76 115.11 2diy s ALA 50 Ca -0.14 -1.09 0.32 0.00 0.00 0.00 0.00 51.96 51.06 2diy s ALA 50 Cb 0.06 -3.49 1.35 0.00 0.00 0.00 0.00 23.12 21.04 2diy s ALA 50 CO 0.64 -1.98 1.98 -1.00 0.00 0.00 0.00 175.76 175.40 2diy h PRO 51 N 9.02 0.00 -0.30 0.00 0.13 -1.90 -3.00 132.00 135.94 2diy h PRO 51 Ca -0.25 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.97 2diy h PRO 51 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 2diy h PRO 51 CO 0.97 0.04 0.31 0.37 -0.23 0.00 0.00 178.00 179.46 2diy h GLN 52 N 0.00 0.00 0.00 0.86 5.75 -1.93 0.14 115.11 119.93 2diy h GLN 52 Ca -0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2diy h GLN 52 Cb 0.52 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.07 2diy h GLN 52 CO 0.00 0.00 0.02 0.00 -2.65 0.00 0.00 178.83 176.21 2diy h ALA 54 N 1.95 -0.98 -0.94 0.00 0.00 -0.98 -1.35 119.26 116.96 2diy h ALA 54 Ca 0.00 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 54.97 2diy h ALA 54 Cb 0.04 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.82 2diy h ALA 54 CO 0.00 -0.97 0.61 -0.56 0.00 0.00 0.00 179.25 178.33 2diy h GLN 55 N -0.17 0.95 -0.17 0.00 3.07 -1.74 0.16 115.11 117.21 2diy h GLN 55 Ca -0.02 -0.06 0.02 0.00 0.09 0.00 0.00 58.65 58.69 2diy h GLN 55 Cb 0.12 -0.21 -0.01 0.00 0.08 0.00 0.00 27.48 27.46 2diy h GLN 55 CO 0.03 0.63 0.11 0.52 0.09 0.00 0.00 178.83 180.21 2diy h MET 56 N 0.97 0.14 -0.06 0.06 2.86 -1.51 -0.69 114.93 116.70 2diy h MET 56 Ca 0.44 -0.01 -0.22 0.00 -2.06 0.00 0.00 59.70 57.85 2diy h MET 56 Cb 0.38 -0.03 0.01 0.00 0.06 0.00 0.00 31.60 32.02 2diy h MET 56 CO -0.20 0.09 -0.80 -0.97 1.06 0.00 0.00 176.91 176.09 2diy h ASN 57 N 0.14 0.81 -0.37 1.22 -1.24 0.22 -3.07 115.58 113.30 2diy h ASN 57 Ca 0.07 -0.70 -0.05 0.00 0.71 0.00 0.00 56.30 56.33 2diy h ASN 57 Cb 0.10 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 38.90 2diy h ASN 57 CO -0.01 1.39 0.04 -0.33 -1.29 0.00 0.00 177.43 177.23 2diy h GLU 58 N 0.30 0.62 -1.00 6.67 5.08 -0.95 -1.88 114.58 123.41 2diy h GLU 58 Ca -0.08 -0.18 0.09 0.00 -1.00 0.00 0.00 59.36 58.19 2diy h GLU 58 Cb 1.46 -0.07 -0.08 0.00 0.50 0.00 0.00 28.75 30.57 2diy h GLU 58 CO 0.16 0.70 0.64 0.28 -1.00 0.00 0.00 179.01 179.79 2diy h VAL 59 N 0.45 1.01 -0.02 3.13 2.07 -1.23 -2.50 116.25 119.16 2diy h VAL 59 Ca 0.11 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 2diy h VAL 59 Cb 0.40 -0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 29.99 2diy h VAL 59 CO 0.01 0.20 -0.02 0.24 0.02 0.00 0.00 177.57 178.02 2diy h MET 60 N 1.09 0.05 -0.93 1.57 2.86 -1.41 -2.94 114.93 115.21 2diy h MET 60 Ca 0.46 -0.02 0.16 0.00 -2.06 0.00 0.00 59.70 58.24 2diy h MET 60 Cb 0.33 0.00 -0.16 0.00 0.06 0.00 0.00 31.60 31.82 2diy h MET 60 CO -0.22 0.51 -0.32 0.00 1.06 0.00 0.00 176.91 177.94 2diy h ALA 61 N 0.54 0.32 0.36 6.32 0.00 -0.89 0.40 119.26 126.31 2diy h ALA 61 Ca 0.00 0.30 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 2diy h ALA 61 Cb 0.49 0.87 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2diy h ALA 61 CO 0.00 -0.54 -0.18 0.93 0.00 0.00 0.00 179.25 179.47 2diy h GLU 62 N -0.02 -0.47 -0.64 0.00 5.08 -1.55 -3.16 114.58 113.82 2diy h GLU 62 Ca 0.38 0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.84 2diy h GLU 62 Cb 0.63 0.11 -0.10 0.00 0.50 0.00 0.00 28.75 29.89 2diy h GLU 62 CO -0.95 -0.28 -0.56 -0.07 -1.00 0.00 0.00 179.01 176.14 2diy h LEU 63 N -0.54 -1.96 -0.99 1.33 3.38 -0.79 0.20 115.31 115.94 2diy h LEU 63 Ca -0.05 0.28 0.32 0.00 0.09 0.00 0.00 57.88 58.52 2diy h LEU 63 Cb 0.41 0.83 -0.18 0.00 0.09 0.00 0.00 40.66 41.81 2diy h LEU 63 CO 0.08 -0.34 0.20 0.00 0.09 0.00 0.00 178.44 178.48 2diy n ALA 64 N -3.15 0.69 -0.08 1.53 0.00 -0.41 0.77 120.51 119.86 2diy n ALA 64 Ca -0.01 1.05 -0.11 0.00 0.00 0.00 0.00 53.44 54.37 2diy n ALA 64 Cb 0.31 -0.86 -0.04 0.00 0.00 0.00 0.00 19.45 18.86 2diy n ALA 64 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2diy h LYS 65 N 0.00 0.40 -0.58 0.00 1.57 -0.61 -2.91 116.57 114.44 2diy h LYS 65 Ca 0.69 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 59.33 2diy h LYS 65 Cb 1.59 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.83 2diy h LYS 65 CO -0.88 0.50 0.19 1.49 -0.57 0.00 0.00 179.45 180.19 2diy h GLU 66 N 0.22 0.86 -3.44 3.15 4.57 0.12 -3.35 114.58 116.71 2diy h GLU 66 Ca 0.08 -0.15 -0.64 0.00 -1.18 0.00 0.00 59.36 57.47 2diy h GLU 66 Cb 0.28 -0.14 -0.41 0.00 -0.16 0.00 0.00 28.75 28.32 2diy h GLU 66 CO 0.00 0.73 -0.64 -0.51 -1.18 0.00 0.00 179.01 177.41 2diy s LEU 67 N -9.43 4.22 0.50 1.64 1.43 0.88 -4.93 118.68 112.99 2diy s LEU 67 Ca -0.10 -2.93 0.32 0.00 -1.03 0.00 0.00 54.13 50.39 2diy s LEU 67 Cb 0.16 -1.59 1.34 0.00 0.03 0.00 0.00 46.19 46.12 2diy s LEU 67 CO 0.80 -0.24 1.95 1.55 0.23 0.00 0.00 176.35 180.63 2diy h PRO 68 N 6.59 0.00 -0.12 1.29 0.13 -1.68 -2.49 132.00 135.72 2diy h PRO 68 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 2diy h PRO 68 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 2diy h PRO 68 CO 0.66 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.43 2diy n GLN 69 N -2.94 1.34 -4.27 0.86 0.00 -1.26 -4.76 117.38 106.35 2diy n GLN 69 Ca 0.01 -0.52 -0.24 0.00 0.00 0.00 0.00 57.00 56.24 2diy n GLN 69 Cb 0.28 -1.20 -0.08 0.00 0.00 0.00 0.00 30.24 29.25 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 -1.84 3.48 -0.27 -0.39 1.01 -0.94 -3.78 120.40 117.67 2diy s VAL 70 Ca 0.18 -1.76 0.01 0.00 0.00 0.00 0.00 61.98 60.40 2diy s VAL 70 Cb 0.09 -2.82 0.08 0.00 0.00 0.00 0.00 36.38 33.73 2diy s VAL 70 CO 0.13 -0.28 0.01 -0.44 0.00 0.00 0.00 175.10 174.53 2diy s SER 71 N -3.39 4.02 -0.34 3.32 0.01 0.15 -4.96 113.70 112.51 2diy s SER 71 Ca 0.29 -1.47 -0.18 0.00 1.31 0.00 0.00 55.95 55.90 2diy s SER 71 Cb -0.07 -1.15 -0.01 0.00 0.21 0.00 0.00 66.02 65.00 2diy s SER 71 CO 0.19 -0.32 0.51 -0.36 0.41 0.00 0.00 173.24 173.67 2diy s PHE 72 N 1.39 3.19 -0.10 2.43 0.40 -1.26 -0.56 117.98 123.46 2diy s PHE 72 Ca 0.02 0.21 0.03 0.00 -0.60 0.00 0.00 56.93 56.59 2diy s PHE 72 Cb -0.18 -2.90 0.01 0.00 0.51 0.00 0.00 43.02 40.45 2diy s PHE 72 CO -0.12 -0.52 -0.20 0.14 0.70 0.00 0.00 175.22 175.22 2diy s VAL 73 N 2.38 1.83 -0.17 -0.44 -7.23 0.91 -1.98 120.40 115.70 2diy s VAL 73 Ca 0.19 -0.87 -0.06 0.00 -1.81 0.00 0.00 61.98 59.42 2diy s VAL 73 Cb -0.15 -1.61 -0.04 0.00 0.56 0.00 0.00 36.38 35.14 2diy s VAL 73 CO 0.13 0.51 0.04 -1.59 -0.31 0.00 0.00 175.10 173.88 2diy s LYS 74 N 0.57 3.83 0.12 4.82 -2.85 -0.26 -0.78 119.74 125.20 2diy s LYS 74 Ca -0.14 -0.37 0.09 0.00 -1.00 0.00 0.00 55.97 54.55 2diy s LYS 74 Cb -0.17 -3.13 -0.04 0.00 -2.06 0.00 0.00 37.83 32.44 2diy s LYS 74 CO 0.05 0.32 -0.21 -1.17 0.10 0.00 0.00 175.35 174.43 2diy s LEU 75 N 0.21 2.33 -0.26 2.77 0.20 -0.37 -0.33 118.68 123.23 2diy s LEU 75 Ca 0.03 -0.73 -0.14 0.00 0.69 0.00 0.00 54.13 53.98 2diy s LEU 75 Cb -0.13 -0.94 -0.04 0.00 -0.43 0.00 0.00 46.19 44.66 2diy s LEU 75 CO 0.01 0.06 0.33 -0.70 -0.29 0.00 0.00 176.35 175.76 2diy s GLU 76 N -2.10 4.02 0.20 1.98 2.12 -1.24 -1.28 118.70 122.40 2diy s GLU 76 Ca 0.10 -0.03 -0.11 0.00 0.36 0.00 0.00 54.97 55.29 2diy s GLU 76 Cb -0.09 -3.64 0.16 0.00 0.26 0.00 0.00 34.13 30.82 2diy s GLU 76 CO 0.05 -0.22 1.86 0.00 -0.54 0.00 0.00 175.26 176.41 2diy h ALA 77 N 8.10 0.90 0.00 6.30 0.00 -1.83 0.37 119.26 133.10 2diy h ALA 77 Ca -0.33 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.41 2diy h ALA 77 Cb 1.17 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2diy h ALA 77 CO 0.63 0.26 -0.66 0.93 0.00 0.00 0.00 179.25 180.41 2diy h GLU 78 N 0.90 0.00 0.05 0.00 4.39 -1.93 -3.14 114.58 114.84 2diy h GLU 78 Ca 0.27 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.74 2diy h GLU 78 Cb -0.04 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 2diy h GLU 78 CO -0.08 0.66 -1.04 0.78 -1.16 0.00 0.00 179.01 178.17 2diy h GLY 79 N 3.06 0.24 -6.59 -3.84 0.00 -1.77 -3.40 103.07 90.77 2diy h GLY 79 Ca -0.01 -0.51 -0.60 0.00 0.00 0.00 0.00 47.33 46.22 2diy h GLY 79 CO 0.09 0.45 -0.86 0.14 0.00 0.00 0.00 176.54 176.36 2diy s VAL 80 N -2.93 1.04 0.29 4.60 1.01 0.12 -4.84 120.40 119.70 2diy s VAL 80 Ca -0.03 -3.03 0.15 0.00 0.00 0.00 0.00 61.98 59.08 2diy s VAL 80 Cb 0.09 -1.71 0.09 0.00 0.00 0.00 0.00 36.38 34.85 2diy s VAL 80 CO 0.85 -1.15 1.77 1.55 0.00 0.00 0.00 175.10 178.12 2diy h PRO 81 N 5.69 0.00 -0.60 2.72 0.13 -1.77 -3.23 132.00 134.94 2diy h PRO 81 Ca 0.21 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 65.45 2diy h PRO 81 Cb 0.87 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.89 2diy h PRO 81 CO 0.46 0.41 -0.37 1.49 -0.23 0.00 0.00 178.00 179.77 2diy h GLU 82 N 0.00 -0.17 -0.17 0.86 4.57 -1.92 0.45 114.58 118.20 2diy h GLU 82 Ca -0.00 0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.14 2diy h GLU 82 Cb 0.81 0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.43 2diy h GLU 82 CO 0.05 -0.11 -0.09 0.28 -1.18 0.00 0.00 179.01 177.96 2diy h VAL 83 N -0.18 1.32 -0.79 0.32 2.07 -1.95 -3.00 116.25 114.04 2diy h VAL 83 Ca 0.22 -1.15 0.17 0.00 0.82 0.00 0.00 66.70 66.76 2diy h VAL 83 Cb 0.56 1.72 -0.05 0.00 -1.52 0.00 0.00 31.29 31.99 2diy h VAL 83 CO -0.70 0.34 0.53 0.28 0.02 0.00 0.00 177.57 178.05 2diy h SER 84 N 0.03 0.37 0.71 0.57 0.02 -1.31 -2.40 113.55 111.54 2diy h SER 84 Ca 0.04 0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 60.98 2diy h SER 84 Cb 0.57 -0.05 0.01 0.00 0.14 0.00 0.00 62.40 63.08 2diy h SER 84 CO 0.03 0.18 -0.34 -0.33 -1.14 0.00 0.00 176.83 175.22 2diy h GLU 85 N 0.38 -0.92 -0.67 3.45 4.39 -0.01 1.75 114.58 122.95 2diy h GLU 85 Ca 0.39 0.06 0.09 0.00 0.34 0.00 0.00 59.36 60.25 2diy h GLU 85 Cb 0.97 0.21 -0.11 0.00 -0.10 0.00 0.00 28.75 29.72 2diy h GLU 85 CO -0.13 -0.61 -0.48 -0.22 -1.16 0.00 0.00 179.01 176.42 2diy h LYS 86 N -1.25 -0.18 0.00 2.33 3.64 -1.32 0.38 116.57 120.17 2diy h LYS 86 Ca -0.10 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 2diy h LYS 86 Cb 0.73 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 2diy h LYS 86 CO 0.16 -0.12 -0.02 0.66 -2.27 0.00 0.00 179.45 177.86 2diy n TYR 87 N -5.38 0.91 -3.37 1.91 4.02 -0.98 -4.93 117.16 109.33 2diy n TYR 87 Ca 0.02 0.27 -0.19 0.00 -0.01 0.00 0.00 57.90 57.99 2diy n TYR 87 Cb 0.34 -0.93 0.07 0.00 -0.02 0.00 0.00 39.34 38.80 2diy n TYR 87 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 2diy n GLU 88 N -2.25 -6.48 -2.46 -0.72 1.02 0.55 -4.89 120.64 105.41 2diy n GLU 88 Ca 0.06 0.71 -0.39 0.00 -0.02 0.00 0.00 57.16 57.52 2diy n GLU 88 Cb 0.43 -5.38 -0.02 0.00 -0.02 0.00 0.00 31.44 26.45 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 -3.28 3.90 -0.62 -3.67 -1.09 0.16 -4.78 121.20 111.82 2diy s ILE 89 Ca 0.36 -1.16 -0.00 0.00 -2.23 0.00 0.00 60.65 57.62 2diy s ILE 89 Cb -0.16 -4.94 0.44 0.00 -1.58 0.00 0.00 42.46 36.22 2diy s ILE 89 CO 0.62 -1.76 1.89 -1.20 -1.23 0.00 0.00 174.94 173.25 2diy n SER 90 N 9.85 7.20 -3.65 3.58 7.64 -1.26 -4.91 113.62 132.08 2diy n SER 90 Ca 0.41 -3.79 -0.11 0.00 1.01 0.00 0.00 58.87 56.39 2diy n SER 90 Cb 0.48 -0.88 -0.08 0.00 -1.01 0.00 0.00 64.21 62.73 2diy n SER 90 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2diy s SER 91 N -2.07 -0.76 0.01 6.43 1.04 -1.26 -5.17 113.70 111.92 2diy s SER 91 Ca 0.61 1.35 -0.07 0.00 0.48 0.00 0.00 55.95 58.32 2diy s SER 91 Cb 0.49 1.31 -0.00 0.00 0.10 0.00 0.00 66.02 67.91 2diy s SER 91 CO -0.04 -0.23 0.13 0.68 0.98 0.00 0.00 173.24 174.75 2diy s VAL 92 N 0.84 0.10 0.77 5.02 -7.23 -1.26 -4.11 120.40 114.53 2diy s VAL 92 Ca -0.04 -0.79 -0.11 0.00 -1.81 0.00 0.00 61.98 59.23 2diy s VAL 92 Cb -0.05 -0.55 0.06 0.00 0.56 0.00 0.00 36.38 36.39 2diy s VAL 92 CO -0.07 -0.44 1.09 -2.16 -0.31 0.00 0.00 175.10 173.22 2diy s PRO 93 N -1.72 2.24 -0.27 4.82 0.04 -1.26 -4.90 135.00 133.96 2diy s PRO 93 Ca -0.12 1.17 -0.10 0.00 0.04 0.00 0.00 61.00 61.99 2diy s PRO 93 Cb -0.06 -1.89 0.11 0.00 0.04 0.00 0.00 34.50 32.70 2diy s PRO 93 CO -0.00 -1.65 0.60 0.99 0.04 0.00 0.00 177.00 176.98 2diy s THR 94 N -2.90 -0.79 0.13 1.26 2.01 -1.23 -3.10 115.64 111.03 2diy s THR 94 Ca 0.61 0.04 -0.00 0.00 0.31 0.00 0.00 61.69 62.65 2diy s THR 94 Cb -0.17 -0.92 -0.04 0.00 0.01 0.00 0.00 72.50 71.38 2diy s THR 94 CO 0.56 0.02 0.30 -0.36 -0.69 0.00 0.00 174.62 174.44 2diy s PHE 95 N 2.65 3.49 -0.21 4.92 0.40 -0.21 -0.12 117.98 128.91 2diy s PHE 95 Ca -0.06 0.27 -0.04 0.00 -0.60 0.00 0.00 56.93 56.50 2diy s PHE 95 Cb -0.11 -1.78 0.07 0.00 0.51 0.00 0.00 43.02 41.71 2diy s PHE 95 CO -0.18 0.50 0.10 -0.51 0.70 0.00 0.00 175.22 175.83 2diy s LEU 96 N -2.95 0.54 -0.43 -0.37 1.43 0.06 -2.05 118.68 114.91 2diy s LEU 96 Ca 0.36 -0.86 -0.29 0.00 -1.03 0.00 0.00 54.13 52.32 2diy s LEU 96 Cb -0.12 -0.33 0.03 0.00 0.03 0.00 0.00 46.19 45.80 2diy s LEU 96 CO 0.28 -0.37 1.11 -0.36 0.23 0.00 0.00 176.35 177.24 2diy s PHE 97 N 2.08 2.91 -0.23 0.29 0.40 -0.17 -1.46 117.98 121.80 2diy s PHE 97 Ca 0.04 0.83 -0.05 0.00 -0.60 0.00 0.00 56.93 57.16 2diy s PHE 97 Cb -0.16 -4.21 -0.01 0.00 0.51 0.00 0.00 43.02 39.15 2diy s PHE 97 CO -0.18 -1.13 -0.01 -0.06 0.70 0.00 0.00 175.22 174.55 2diy s PHE 98 N 4.21 3.01 -0.17 0.36 0.08 -0.76 -1.87 117.98 122.84 2diy s PHE 98 Ca 0.47 -0.87 -0.02 0.00 0.12 0.00 0.00 56.93 56.63 2diy s PHE 98 Cb -0.09 -2.14 -0.02 0.00 -0.57 0.00 0.00 43.02 40.20 2diy s PHE 98 CO 0.27 -0.52 -0.08 0.21 -0.10 0.00 0.00 175.22 175.00 2diy s LYS 99 N 1.50 3.45 -1.22 0.44 2.47 -0.39 -2.11 119.74 123.88 2diy s LYS 99 Ca 0.05 -0.62 -0.07 0.00 -1.56 0.00 0.00 55.97 53.77 2diy s LYS 99 Cb -0.15 -2.84 0.06 0.00 -1.46 0.00 0.00 37.83 33.44 2diy s LYS 99 CO -0.01 0.07 0.39 0.09 0.16 0.00 0.00 175.35 176.05 2diy n ASN 100 N 3.98 -3.74 -1.13 1.43 3.02 0.18 0.49 115.26 119.49 2diy n ASN 100 Ca -0.18 -0.26 -0.09 0.00 -0.03 0.00 0.00 54.58 54.02 2diy n ASN 100 Cb 0.52 -3.11 0.00 0.00 -0.61 0.00 0.00 39.78 36.58 2diy n ASN 100 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2diy n SER 101 N -2.19 -3.14 -3.52 6.41 2.88 -1.26 -4.91 113.62 107.90 2diy n SER 101 Ca -0.04 -0.06 -0.14 0.00 -1.33 0.00 0.00 58.87 57.30 2diy n SER 101 Cb 0.55 -2.26 -0.12 0.00 -0.75 0.00 0.00 64.21 61.64 2diy n SER 101 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2diy s GLN 102 N -4.68 0.22 0.16 -1.46 -1.52 0.18 -5.11 119.66 107.45 2diy s GLN 102 Ca 0.06 0.48 -0.34 0.00 -1.95 0.00 0.00 55.36 53.61 2diy s GLN 102 Cb -0.02 -0.61 -0.15 0.00 -0.22 0.00 0.00 33.01 32.01 2diy s GLN 102 CO 0.07 -0.52 1.45 1.17 -0.25 0.00 0.00 175.29 177.21 2diy n LYS 103 N 5.34 1.81 -0.00 2.91 4.81 -1.26 -1.27 118.16 130.51 2diy n LYS 103 Ca -0.05 0.65 -0.00 0.00 -0.87 0.00 0.00 58.31 58.04 2diy n LYS 103 Cb 0.50 -2.34 -0.00 0.00 0.02 0.00 0.00 35.03 33.20 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 2.72 0.04 -3.69 3.15 -5.35 -0.78 -4.87 119.36 110.58 2diy n ILE 104 Ca 0.16 -0.02 -0.14 0.00 -0.27 0.00 0.00 62.75 62.47 2diy n ILE 104 Cb 0.27 -0.88 -0.08 0.00 -1.74 0.00 0.00 39.64 37.21 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 -3.31 -0.37 0.02 7.28 2.15 -1.23 -5.07 116.67 116.14 2diy s ASP 105 Ca -0.00 0.42 0.04 0.00 0.43 0.00 0.00 52.55 53.44 2diy s ASP 105 Cb 0.00 0.50 -0.02 0.00 -0.30 0.00 0.00 42.92 43.11 2diy s ASP 105 CO 0.02 -0.43 -0.12 -0.60 -0.17 0.00 0.00 175.17 173.88 2diy s ARG 106 N -0.96 0.85 -0.25 4.34 3.52 -1.26 -1.00 118.95 124.19 2diy s ARG 106 Ca -0.10 -0.59 0.02 0.00 -0.13 0.00 0.00 55.73 54.93 2diy s ARG 106 Cb -0.03 -0.82 0.06 0.00 -1.56 0.00 0.00 34.95 32.59 2diy s ARG 106 CO 0.05 0.21 -0.08 -1.17 -0.81 0.00 0.00 175.30 173.50 2diy s LEU 107 N -0.79 3.10 -0.21 -0.88 0.20 -0.87 -5.01 118.68 114.21 2diy s LEU 107 Ca 0.02 -1.32 -0.07 0.00 0.69 0.00 0.00 54.13 53.44 2diy s LEU 107 Cb -0.06 -1.39 -0.04 0.00 -0.43 0.00 0.00 46.19 44.27 2diy s LEU 107 CO 0.00 -0.21 0.07 -0.62 -0.29 0.00 0.00 176.35 175.30 2diy s ASP 108 N 1.22 5.40 0.00 3.68 2.15 -1.26 -1.04 116.67 126.82 2diy s ASP 108 Ca -0.07 -0.05 0.00 0.00 0.43 0.00 0.00 52.55 52.86 2diy s ASP 108 Cb -0.19 -1.94 0.00 0.00 -0.30 0.00 0.00 42.92 40.48 2diy s ASP 108 CO -0.06 0.08 0.00 0.61 -0.17 0.00 0.00 175.17 175.63 2diy n GLY 109 N 4.15 2.14 3.46 2.66 0.00 -1.18 -4.95 105.19 111.48 2diy n GLY 109 Ca -0.16 -1.24 -0.47 0.00 0.00 0.00 0.00 46.02 44.15 2diy n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2diy n ALA 110 N 2.08 0.90 -3.78 4.61 0.00 -1.26 -4.91 120.51 118.15 2diy n ALA 110 Ca 0.00 -0.23 -0.23 0.00 0.00 0.00 0.00 53.44 52.97 2diy n ALA 110 Cb 0.00 -2.61 -0.17 0.00 0.00 0.00 0.00 19.45 16.67 2diy n ALA 110 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2diy s HIS 111 N 8.37 0.73 -0.01 0.00 3.76 -1.26 -5.05 115.29 121.83 2diy s HIS 111 Ca 1.12 -0.22 -0.21 0.00 -0.15 0.00 0.00 55.06 55.60 2diy s HIS 111 Cb -0.82 -0.84 -0.12 0.00 1.11 0.00 0.00 32.58 31.92 2diy s HIS 111 CO 0.46 -0.35 0.86 0.00 -0.85 0.00 0.00 174.74 174.86 2diy h ALA 112 N 8.32 -0.74 -0.08 -1.40 0.00 -1.98 -2.96 119.26 120.42 2diy h ALA 112 Ca -0.20 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 2diy h ALA 112 Cb 1.12 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 2diy h ALA 112 CO 0.27 -0.69 -0.08 -1.00 0.00 0.00 0.00 179.25 177.76 2diy h PRO 113 N -1.19 0.19 -1.02 0.00 0.13 -2.00 -3.12 132.00 124.99 2diy h PRO 113 Ca -0.08 -0.10 0.25 0.00 -0.87 0.00 0.00 66.00 65.21 2diy h PRO 113 Cb 0.57 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.62 2diy h PRO 113 CO 0.12 0.62 0.66 1.49 -0.23 0.00 0.00 178.00 180.66 2diy h GLU 114 N -0.23 0.39 0.66 0.86 4.57 -1.99 -0.89 114.58 117.94 2diy h GLU 114 Ca 0.01 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.14 2diy h GLU 114 Cb 0.59 -0.09 0.01 0.00 -0.16 0.00 0.00 28.75 29.09 2diy h GLU 114 CO 0.02 0.26 -0.32 1.25 -1.18 0.00 0.00 179.01 179.04 2diy h LEU 115 N 0.40 -0.75 -0.75 1.64 5.85 -1.48 -2.76 115.31 117.47 2diy h LEU 115 Ca 0.57 0.00 0.16 0.00 0.84 0.00 0.00 57.88 59.45 2diy h LEU 115 Cb 1.44 0.19 -0.10 0.00 0.37 0.00 0.00 40.66 42.56 2diy h LEU 115 CO -0.27 -0.37 0.24 0.74 -0.34 0.00 0.00 178.44 178.45 2diy h THR 116 N -1.19 0.57 0.28 1.05 2.02 -1.29 -0.14 112.91 114.21 2diy h THR 116 Ca -0.09 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 66.97 2diy h THR 116 Cb 0.70 0.19 -0.04 0.00 -1.74 0.00 0.00 68.15 67.26 2diy h THR 116 CO 0.15 0.06 -0.52 0.11 0.37 0.00 0.00 175.52 175.69 2diy h LYS 117 N 0.35 -0.84 -0.91 6.66 1.57 -1.20 0.13 116.57 122.33 2diy h LYS 117 Ca 0.43 0.06 0.08 0.00 -1.87 0.00 0.00 60.65 59.35 2diy h LYS 117 Cb 0.70 0.19 -0.07 0.00 0.08 0.00 0.00 32.23 33.13 2diy h LYS 117 CO -0.47 -0.56 0.56 0.87 -0.57 0.00 0.00 179.45 179.28 2diy h LYS 118 N -0.87 0.94 0.64 3.15 1.57 -1.09 -1.25 116.57 119.66 2diy h LYS 118 Ca -0.03 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 2diy h LYS 118 Cb 0.81 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.91 2diy h LYS 118 CO -0.20 0.62 -0.36 0.28 -0.57 0.00 0.00 179.45 179.22 2diy h VAL 119 N 0.96 0.00 -0.23 0.50 2.07 -0.39 -0.26 116.25 118.90 2diy h VAL 119 Ca 0.42 0.00 0.06 0.00 0.82 0.00 0.00 66.70 68.00 2diy h VAL 119 Cb 0.29 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.99 2diy h VAL 119 CO -0.21 0.00 -0.32 1.56 0.02 0.00 0.00 177.57 178.61 2diy h GLN 120 N -0.93 -0.33 -0.15 1.57 4.20 -0.60 0.40 115.11 119.28 2diy h GLN 120 Ca -0.09 0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.69 2diy h GLN 120 Cb 0.73 0.07 -0.07 0.00 0.30 0.00 0.00 27.48 28.52 2diy h GLN 120 CO 0.10 -0.22 -0.40 -0.09 -0.67 0.00 0.00 178.83 177.55 2diy h ARG 121 N -0.34 -0.45 0.00 1.46 2.43 -1.21 0.41 114.38 116.69 2diy h ARG 121 Ca 0.12 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 2diy h ARG 121 Cb 0.54 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 2diy h ARG 121 CO -0.42 -0.30 0.00 0.72 -1.51 0.00 0.00 179.97 178.46 2diy n HIS 122 N -5.43 0.00 -0.55 2.20 8.25 -0.11 -1.66 115.22 117.92 2diy n HIS 122 Ca -0.04 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.52 2diy n HIS 122 Cb 0.36 -0.41 0.34 0.00 1.12 0.00 0.00 29.99 31.40 2diy n HIS 122 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2diy n ALA 123 N -1.41 2.86 -3.70 -1.41 0.00 0.14 -4.90 120.51 112.09 2diy n ALA 123 Ca 0.04 -1.52 -0.28 0.00 0.00 0.00 0.00 53.44 51.68 2diy n ALA 123 Cb 0.13 -0.96 -0.02 0.00 0.00 0.00 0.00 19.45 18.59 2diy n ALA 123 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2diy n SER 124 N 1.23 -2.96 -4.52 0.00 7.64 -0.66 -4.93 113.62 109.42 2diy n SER 124 Ca 0.25 -0.60 -0.29 0.00 1.01 0.00 0.00 58.87 59.24 2diy n SER 124 Cb 0.81 -2.48 -0.11 0.00 -1.01 0.00 0.00 64.21 61.42 2diy n SER 124 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2diy s SER 125 N -2.87 4.05 0.00 6.43 1.04 -0.87 -5.06 113.70 116.42 2diy s SER 125 Ca 0.52 -0.54 0.00 0.00 0.48 0.00 0.00 55.95 56.42 2diy s SER 125 Cb -0.29 -0.63 0.00 0.00 0.10 0.00 0.00 66.02 65.20 2diy s SER 125 CO 0.64 0.16 0.00 0.61 0.98 0.00 0.00 173.24 175.63 2diy n GLY 126 N 0.60 4.55 3.64 7.32 0.00 -1.26 -4.41 105.19 115.63 2diy n GLY 126 Ca -0.14 -1.26 -0.43 0.00 0.00 0.00 0.00 46.02 44.19 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 -3.60 3.95 0.27 1.61 0.04 -1.26 -5.01 135.00 131.00 2diy s PRO 127 Ca 0.00 1.79 0.09 0.00 0.04 0.00 0.00 61.00 62.92 2diy s PRO 127 Cb 0.00 -3.99 -0.04 0.00 0.04 0.00 0.00 34.50 30.51 2diy s PRO 127 CO 0.00 -1.11 0.06 0.45 0.04 0.00 0.00 177.00 176.44 2diy s SER 128 N 3.72 4.81 -0.37 6.66 0.15 -1.26 -5.09 113.70 122.32 2diy s SER 128 Ca 0.70 -0.55 -0.23 0.00 0.70 0.00 0.00 55.95 56.56 2diy s SER 128 Cb -0.26 -0.98 0.01 0.00 -1.71 0.00 0.00 66.02 63.08 2diy s SER 128 CO 0.27 -0.03 0.80 -0.94 1.20 0.00 0.00 173.24 174.53 2diy s SER 129 N -3.73 6.56 0.00 5.45 1.04 -1.26 -5.33 113.70 116.43 2diy s SER 129 Ca 0.32 0.35 0.13 0.00 0.48 0.00 0.00 55.95 57.23 2diy s SER 129 Cb -0.06 -2.40 0.10 0.00 0.10 0.00 0.00 66.02 63.75 2diy s SER 129 CO 0.21 -0.75 0.90 0.61 0.98 0.00 0.00 173.24 175.19