#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 -0.31 0.24 1.61 0.15 -1.26 -5.19 113.70 108.95 2diy s SER 2 Ca 0.00 0.50 -0.22 0.00 0.70 0.00 0.00 55.95 56.92 2diy s SER 2 Cb 0.00 1.09 0.03 0.00 -1.71 0.00 0.00 66.02 65.44 2diy s SER 2 CO 0.00 -0.08 0.79 -0.44 1.20 0.00 0.00 173.24 174.71 2diy s SER 3 N 1.15 -0.24 0.00 5.45 0.01 -1.26 -5.18 113.70 113.64 2diy s SER 3 Ca -0.08 -0.54 0.00 0.00 1.31 0.00 0.00 55.95 56.64 2diy s SER 3 Cb -0.03 0.66 0.00 0.00 0.21 0.00 0.00 66.02 66.85 2diy s SER 3 CO -0.13 -1.21 0.00 0.61 0.41 0.00 0.00 173.24 172.92 2diy n GLY 4 N -0.46 4.02 3.12 3.44 0.00 -1.26 -5.18 105.19 108.87 2diy n GLY 4 Ca -0.05 -0.71 -0.08 0.00 0.00 0.00 0.00 46.02 45.18 2diy n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2diy s SER 5 N 0.00 0.61 0.07 1.61 1.04 -1.26 -5.17 113.70 110.61 2diy s SER 5 Ca 0.00 -1.04 0.05 0.00 0.48 0.00 0.00 55.95 55.45 2diy s SER 5 Cb 0.00 0.19 -0.03 0.00 0.10 0.00 0.00 66.02 66.28 2diy s SER 5 CO 0.00 -0.59 -0.15 -0.44 0.98 0.00 0.00 173.24 173.04 2diy s SER 6 N -2.97 1.73 -0.40 7.02 0.01 -1.26 -5.11 113.70 112.71 2diy s SER 6 Ca 0.11 -0.62 0.03 0.00 1.31 0.00 0.00 55.95 56.78 2diy s SER 6 Cb 0.07 -0.05 0.16 0.00 0.21 0.00 0.00 66.02 66.41 2diy s SER 6 CO -0.07 -0.07 0.37 -0.83 0.41 0.00 0.00 173.24 173.05 2diy s GLY 7 N -1.76 0.55 -0.05 3.44 0.00 -1.26 -5.11 107.32 103.13 2diy s GLY 7 Ca -0.01 -1.76 0.03 0.00 0.00 0.00 0.00 44.72 42.98 2diy s GLY 7 CO 0.02 2.45 -0.13 1.06 0.00 0.00 0.00 173.10 176.50 2diy s MET 8 N 0.66 1.57 -0.18 2.90 1.00 -1.26 -5.12 119.30 118.86 2diy s MET 8 Ca 0.26 -0.46 -0.07 0.00 0.00 0.00 0.00 55.69 55.42 2diy s MET 8 Cb -0.06 -1.35 0.08 0.00 0.00 0.00 0.00 34.83 33.50 2diy s MET 8 CO -0.10 0.13 0.39 0.00 0.00 0.00 0.00 175.02 175.43 2diy s ALA 9 N 0.33 -1.03 -0.12 3.03 0.00 -1.26 -5.15 121.76 117.56 2diy s ALA 9 Ca -0.08 1.39 -0.00 0.00 0.00 0.00 0.00 51.96 53.27 2diy s ALA 9 Cb -0.13 -1.23 -0.02 0.00 0.00 0.00 0.00 23.12 21.74 2diy s ALA 9 CO 0.02 -0.70 -0.12 0.00 0.00 0.00 0.00 175.76 174.97 2diy s ALA 10 N 2.48 2.69 0.00 0.00 0.00 -1.26 -4.91 121.76 120.76 2diy s ALA 10 Ca -0.02 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.05 2diy s ALA 10 Cb -0.12 -1.23 0.00 0.00 0.00 0.00 0.00 23.12 21.77 2diy s ALA 10 CO -0.12 0.29 0.00 0.41 0.00 0.00 0.00 175.76 176.34 2diy n GLY 11 N 3.34 0.43 2.21 0.00 0.00 -1.26 -5.07 105.19 104.84 2diy n GLY 11 Ca -0.18 -0.47 -0.19 0.00 0.00 0.00 0.00 46.02 45.18 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 0.00 4.50 -2.60 4.61 0.00 -1.26 -5.03 120.51 120.72 2diy n ALA 12 Ca 0.00 -3.58 -0.38 0.00 0.00 0.00 0.00 53.44 49.48 2diy n ALA 12 Cb 0.00 -0.45 -0.10 0.00 0.00 0.00 0.00 19.45 18.90 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 -3.64 3.55 -0.11 0.00 0.00 -1.26 -5.06 121.76 115.24 2diy s ALA 13 Ca 0.46 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.49 2diy s ALA 13 Cb 0.39 -2.58 0.02 0.00 0.00 0.00 0.00 23.12 20.95 2diy s ALA 13 CO 0.02 -0.57 -0.11 -1.83 0.00 0.00 0.00 175.76 173.27 2diy s GLU 14 N 1.85 1.81 -0.39 0.00 -1.05 -1.26 -5.09 118.70 114.58 2diy s GLU 14 Ca 0.11 -0.39 -0.43 0.00 -0.15 0.00 0.00 54.97 54.11 2diy s GLU 14 Cb -0.16 -1.70 -0.18 0.00 -0.44 0.00 0.00 34.13 31.65 2diy s GLU 14 CO 0.10 -0.18 1.72 0.00 0.95 0.00 0.00 175.26 177.84 2diy n ALA 15 N 4.61 -0.63 -3.39 -0.84 0.00 -1.26 -4.93 120.51 114.07 2diy n ALA 15 Ca -0.16 0.41 -0.12 0.00 0.00 0.00 0.00 53.44 53.57 2diy n ALA 15 Cb 0.50 -2.10 -0.11 0.00 0.00 0.00 0.00 19.45 17.75 2diy n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2diy s ALA 16 N 3.55 -0.88 -0.04 0.00 0.00 -1.26 -5.16 121.76 117.97 2diy s ALA 16 Ca 1.03 1.12 0.07 0.00 0.00 0.00 0.00 51.96 54.17 2diy s ALA 16 Cb -1.27 -0.66 -0.02 0.00 0.00 0.00 0.00 23.12 21.17 2diy s ALA 16 CO 0.72 -0.19 -0.23 0.08 0.00 0.00 0.00 175.76 176.14 2diy s VAL 17 N 0.56 2.26 -0.11 0.00 1.01 -1.26 -5.01 120.40 117.85 2diy s VAL 17 Ca -0.03 -1.02 -0.00 0.00 0.00 0.00 0.00 61.98 60.93 2diy s VAL 17 Cb -0.05 -1.81 0.09 0.00 0.00 0.00 0.00 36.38 34.61 2diy s VAL 17 CO -0.03 0.58 1.75 0.00 0.00 0.00 0.00 175.10 177.40 2diy n ALA 18 N 2.57 4.00 -2.43 5.51 0.00 -1.26 -4.84 120.51 124.06 2diy n ALA 18 Ca -0.17 -0.58 -0.27 0.00 0.00 0.00 0.00 53.44 52.43 2diy n ALA 18 Cb 0.51 -1.12 -0.12 0.00 0.00 0.00 0.00 19.45 18.73 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 -0.64 2.48 0.10 0.00 0.00 -1.26 -4.41 121.76 118.03 2diy s ALA 19 Ca 0.11 -1.62 -0.17 0.00 0.00 0.00 0.00 51.96 50.28 2diy s ALA 19 Cb 0.09 -0.32 -0.07 0.00 0.00 0.00 0.00 23.12 22.82 2diy s ALA 19 CO 0.00 0.42 0.56 0.08 0.00 0.00 0.00 175.76 176.83 2diy s VAL 20 N -1.65 4.78 0.13 0.00 1.01 -1.26 -4.90 120.40 118.51 2diy s VAL 20 Ca 0.20 1.08 -0.11 0.00 0.00 0.00 0.00 61.98 63.15 2diy s VAL 20 Cb -0.08 -3.83 -0.06 0.00 0.00 0.00 0.00 36.38 32.40 2diy s VAL 20 CO 0.09 0.44 0.47 -1.61 0.00 0.00 0.00 175.10 174.49 2diy s GLU 21 N -1.43 3.83 -0.47 2.72 0.41 -1.22 -4.96 118.70 117.58 2diy s GLU 21 Ca 0.32 0.27 -0.17 0.00 -0.41 0.00 0.00 54.97 54.99 2diy s GLU 21 Cb -0.18 -2.90 0.06 0.00 -1.78 0.00 0.00 34.13 29.33 2diy s GLU 21 CO 0.19 0.48 0.46 -1.21 -0.49 0.00 0.00 175.26 174.69 2diy s GLU 22 N -2.15 3.03 -0.66 1.61 8.01 -1.26 -2.27 118.70 125.01 2diy s GLU 22 Ca 0.38 -1.14 -0.22 0.00 0.01 0.00 0.00 54.97 54.00 2diy s GLU 22 Cb -0.14 -4.10 0.08 0.00 -4.31 0.00 0.00 34.13 25.67 2diy s GLU 22 CO 0.20 -1.05 0.92 0.08 0.01 0.00 0.00 175.26 175.41 2diy s VAL 23 N 1.98 4.45 -0.48 2.63 1.01 -0.86 -4.88 120.40 124.24 2diy s VAL 23 Ca 0.08 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 61.54 2diy s VAL 23 Cb -0.22 -4.65 0.49 0.00 0.00 0.00 0.00 36.38 32.00 2diy s VAL 23 CO 0.09 -1.39 1.70 0.61 0.00 0.00 0.00 175.10 176.11 2diy n GLY 24 N 5.33 5.69 3.63 4.51 0.00 -1.26 -3.98 105.19 119.10 2diy n GLY 24 Ca -0.04 -2.07 -0.06 0.00 0.00 0.00 0.00 46.02 43.85 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 -2.35 -0.22 0.26 1.61 1.04 -1.26 -4.82 113.70 107.95 2diy s SER 25 Ca 0.57 0.34 -0.05 0.00 0.48 0.00 0.00 55.95 57.30 2diy s SER 25 Cb 0.46 0.32 0.31 0.00 0.10 0.00 0.00 66.02 67.21 2diy s SER 25 CO 0.02 -0.14 1.87 0.00 0.98 0.00 0.00 173.24 175.98 2diy h ALA 26 N 2.98 1.23 -0.72 5.32 0.00 -1.93 -2.73 119.26 123.42 2diy h ALA 26 Ca -0.21 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.63 2diy h ALA 26 Cb 1.18 -0.32 -0.06 0.00 0.00 0.00 0.00 17.79 18.59 2diy h ALA 26 CO 0.21 0.61 0.42 0.78 0.00 0.00 0.00 179.25 181.26 2diy h GLY 27 N 1.15 1.07 0.96 0.00 0.00 -1.97 0.22 103.07 104.50 2diy h GLY 27 Ca 0.28 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2diy h GLY 27 CO -0.04 0.18 -0.04 -1.61 0.00 0.00 0.00 176.54 175.03 2diy h GLN 28 N 0.76 -0.09 0.44 4.80 4.15 -1.90 0.81 115.11 124.09 2diy h GLN 28 Ca 0.32 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.73 2diy h GLN 28 Cb 0.19 0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.91 2diy h GLN 28 CO -0.18 -0.06 -0.21 0.35 -1.93 0.00 0.00 178.83 176.80 2diy h PHE 29 N -0.09 -0.55 -1.01 3.99 3.57 -1.37 0.13 116.94 121.62 2diy h PHE 29 Ca 0.00 -0.01 0.29 0.00 3.53 0.00 0.00 57.97 61.78 2diy h PHE 29 Cb 0.09 0.18 -0.14 0.00 2.79 0.00 0.00 35.95 38.87 2diy h PHE 29 CO -0.09 -0.34 0.58 0.93 -2.23 0.00 0.00 178.31 177.16 2diy h GLU 30 N -0.79 0.41 0.27 1.11 5.08 -0.63 0.14 114.58 120.17 2diy h GLU 30 Ca -0.06 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 2diy h GLU 30 Cb 0.45 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.61 2diy h GLU 30 CO 0.10 0.27 -0.13 1.49 -1.00 0.00 0.00 179.01 179.74 2diy h GLU 31 N 0.42 -0.35 -0.95 2.33 4.57 -0.81 -3.21 114.58 116.58 2diy h GLU 31 Ca 0.70 0.02 0.22 0.00 -1.18 0.00 0.00 59.36 59.13 2diy h GLU 31 Cb 1.51 0.08 -0.08 0.00 -0.16 0.00 0.00 28.75 30.11 2diy h GLU 31 CO -0.55 -0.00 0.62 1.25 -1.18 0.00 0.00 179.01 179.15 2diy h LEU 32 N -0.90 0.43 -1.36 1.64 5.85 0.55 0.41 115.31 121.94 2diy h LEU 32 Ca -0.04 0.05 0.33 0.00 0.84 0.00 0.00 57.88 59.06 2diy h LEU 32 Cb 0.51 -0.02 -0.11 0.00 0.37 0.00 0.00 40.66 41.41 2diy h LEU 32 CO 0.06 0.15 0.72 -0.07 -0.34 0.00 0.00 178.44 178.96 2diy h LEU 33 N 0.42 0.38 0.17 2.25 3.38 -0.78 0.37 115.31 121.50 2diy h LEU 33 Ca 0.51 0.11 -0.24 0.00 0.09 0.00 0.00 57.88 58.35 2diy h LEU 33 Cb 1.26 0.06 0.02 0.00 0.09 0.00 0.00 40.66 42.09 2diy h LEU 33 CO -0.22 -0.02 -1.08 0.08 0.09 0.00 0.00 178.44 177.30 2diy h ARG 34 N 0.28 0.36 0.71 1.13 0.11 -1.05 -3.00 114.38 112.93 2diy h ARG 34 Ca 0.68 -0.62 -0.03 0.00 0.10 0.00 0.00 59.98 60.11 2diy h ARG 34 Cb 1.87 0.23 0.01 0.00 1.11 0.00 0.00 29.97 33.19 2diy h ARG 34 CO -0.36 1.30 -0.34 -0.07 0.10 0.00 0.00 179.97 180.60 2diy h LEU 35 N -0.22 -0.81 -3.58 0.08 3.38 -0.70 -2.86 115.31 110.60 2diy h LEU 35 Ca -0.20 0.02 -0.40 0.00 0.09 0.00 0.00 57.88 57.40 2diy h LEU 35 Cb 1.81 0.21 -0.17 0.00 0.09 0.00 0.00 40.66 42.60 2diy h LEU 35 CO 0.18 -0.57 0.51 0.29 0.09 0.00 0.00 178.44 178.94 2diy n LYS 36 N -5.50 1.99 0.14 1.13 4.76 0.10 -4.51 118.16 116.27 2diy n LYS 36 Ca -0.14 -1.93 -0.08 0.00 -2.87 0.00 0.00 58.31 53.29 2diy n LYS 36 Cb 0.39 -1.76 -0.04 0.00 -1.84 0.00 0.00 35.03 31.78 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 1.58 -0.45 -0.84 7.82 0.00 -1.35 -3.31 119.26 122.73 2diy h ALA 37 Ca 0.36 -0.13 0.21 0.00 0.00 0.00 0.00 54.91 55.35 2diy h ALA 37 Cb 0.92 0.17 -0.14 0.00 0.00 0.00 0.00 17.79 18.74 2diy h ALA 37 CO 0.93 -0.43 0.09 0.87 0.00 0.00 0.00 179.25 180.71 2diy h LYS 38 N -1.08 0.12 -7.49 0.00 1.57 -1.82 -2.91 116.57 104.96 2diy h LYS 38 Ca -0.05 -0.01 -0.46 0.00 -1.87 0.00 0.00 60.65 58.27 2diy h LYS 38 Cb 0.41 -0.03 0.11 0.00 0.08 0.00 0.00 32.23 32.80 2diy h LYS 38 CO 0.07 0.08 0.30 -1.12 -0.57 0.00 0.00 179.45 178.22 2diy s SER 39 N -5.13 4.15 0.00 0.86 0.01 -1.25 -4.84 113.70 107.50 2diy s SER 39 Ca -0.13 0.31 -0.23 0.00 1.31 0.00 0.00 55.95 57.21 2diy s SER 39 Cb 0.25 -0.70 -0.05 0.00 0.21 0.00 0.00 66.02 65.73 2diy s SER 39 CO 0.76 -2.05 0.70 -0.22 0.41 0.00 0.00 173.24 172.84 2diy s LEU 40 N -5.49 4.40 -0.05 2.44 2.96 -1.26 -4.51 118.68 117.17 2diy s LEU 40 Ca 0.66 1.30 0.01 0.00 -0.22 0.00 0.00 54.13 55.87 2diy s LEU 40 Cb -0.08 -3.11 -0.03 0.00 0.50 0.00 0.00 46.19 43.48 2diy s LEU 40 CO 0.48 0.00 -0.04 -0.22 -1.32 0.00 0.00 176.35 175.25 2diy s LEU 41 N 0.14 3.33 -0.26 -0.68 2.96 -0.88 -0.77 118.68 122.52 2diy s LEU 41 Ca 0.36 0.01 0.00 0.00 -0.22 0.00 0.00 54.13 54.28 2diy s LEU 41 Cb -0.19 -1.79 0.08 0.00 0.50 0.00 0.00 46.19 44.78 2diy s LEU 41 CO 0.20 0.34 0.02 -0.69 -1.32 0.00 0.00 176.35 174.90 2diy s VAL 42 N -0.90 1.28 -0.54 1.68 1.01 0.15 -1.73 120.40 121.35 2diy s VAL 42 Ca 0.14 -1.31 -0.18 0.00 0.00 0.00 0.00 61.98 60.63 2diy s VAL 42 Cb -0.11 -1.75 0.09 0.00 0.00 0.00 0.00 36.38 34.60 2diy s VAL 42 CO 0.04 -0.35 0.62 -0.69 0.00 0.00 0.00 175.10 174.72 2diy s VAL 43 N 1.47 4.93 -0.11 2.92 1.01 -0.87 -0.79 120.40 128.97 2diy s VAL 43 Ca 0.02 -0.90 -0.16 0.00 0.00 0.00 0.00 61.98 60.93 2diy s VAL 43 Cb -0.18 -4.37 -0.05 0.00 0.00 0.00 0.00 36.38 31.79 2diy s VAL 43 CO -0.12 -0.93 0.39 -2.28 0.00 0.00 0.00 175.10 172.16 2diy s HIS 44 N 2.41 3.55 -0.23 5.22 5.04 -0.15 -0.48 115.29 130.64 2diy s HIS 44 Ca 0.11 0.81 -0.18 0.00 -1.54 0.00 0.00 55.06 54.26 2diy s HIS 44 Cb -0.23 -2.41 -0.03 0.00 0.04 0.00 0.00 32.58 29.95 2diy s HIS 44 CO 0.08 0.31 0.50 -0.06 -2.34 0.00 0.00 174.74 173.23 2diy s PHE 45 N 0.16 3.32 -0.06 3.88 0.40 0.11 -0.76 117.98 125.03 2diy s PHE 45 Ca 0.22 0.69 0.04 0.00 -0.60 0.00 0.00 56.93 57.28 2diy s PHE 45 Cb -0.15 -2.68 -0.00 0.00 0.51 0.00 0.00 43.02 40.70 2diy s PHE 45 CO 0.09 -0.18 -0.19 1.67 0.70 0.00 0.00 175.22 177.31 2diy s TRP 46 N 1.93 1.97 0.06 0.36 1.48 -0.81 -3.43 118.94 120.51 2diy s TRP 46 Ca 0.22 -0.67 0.06 0.00 -1.06 0.00 0.00 56.10 54.65 2diy s TRP 46 Cb -0.15 -1.34 -0.04 0.00 -1.16 0.00 0.00 33.47 30.78 2diy s TRP 46 CO 0.09 -0.26 -0.09 0.00 -4.06 0.00 0.00 176.95 172.63 2diy s ALA 47 N 0.21 2.95 -2.00 2.67 0.00 -1.26 -3.28 121.76 121.04 2diy s ALA 47 Ca -0.10 -1.16 0.12 0.00 0.00 0.00 0.00 51.96 50.83 2diy s ALA 47 Cb -0.14 -0.97 0.74 0.00 0.00 0.00 0.00 23.12 22.75 2diy s ALA 47 CO 0.04 0.63 1.17 -0.35 0.00 0.00 0.00 175.76 177.25 2diy n PRO 48 N 1.07 0.49 0.02 0.00 -0.04 -1.26 -3.53 135.00 131.76 2diy n PRO 48 Ca -0.14 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.32 2diy n PRO 48 Cb 0.52 -1.40 -0.00 0.00 -0.04 0.00 0.00 33.50 32.58 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 -0.90 0.00 -1.45 0.54 4.27 -1.26 -4.99 117.44 113.65 2diy n TRP 49 Ca 0.09 0.00 -0.48 0.00 -3.89 0.00 0.00 57.50 53.22 2diy n TRP 49 Cb 0.04 -0.01 -0.08 0.00 -1.36 0.00 0.00 31.31 29.91 2diy n TRP 49 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2diy n ALA 50 N -3.23 0.91 0.97 -1.67 0.00 -1.23 -4.76 120.51 111.51 2diy n ALA 50 Ca -0.00 -0.18 0.05 0.00 0.00 0.00 0.00 53.44 53.31 2diy n ALA 50 Cb 0.29 -2.57 0.33 0.00 0.00 0.00 0.00 19.45 17.49 2diy n ALA 50 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2diy n PRO 51 N 8.30 0.49 0.00 0.00 -0.04 -1.26 -3.27 135.00 139.22 2diy n PRO 51 Ca 0.44 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.81 2diy n PRO 51 Cb 0.23 -1.35 -0.08 0.00 -0.04 0.00 0.00 33.50 32.26 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 -0.12 -0.85 0.54 7.50 -1.94 -3.23 115.11 117.02 2diy h GLN 52 Ca 0.00 0.01 0.25 0.00 0.50 0.00 0.00 58.65 59.40 2diy h GLN 52 Cb 0.00 0.03 -0.03 0.00 0.05 0.00 0.00 27.48 27.52 2diy h GLN 52 CO 0.00 0.37 1.05 0.00 -1.50 0.00 0.00 178.83 178.75 2diy n ALA 54 N -2.21 -0.19 0.07 0.00 0.00 -1.22 -0.17 120.51 116.79 2diy n ALA 54 Ca 0.19 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.50 2diy n ALA 54 Cb 1.32 0.29 -0.09 0.00 0.00 0.00 0.00 19.45 20.97 2diy n ALA 54 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2diy h GLN 55 N 0.00 -0.19 -1.00 0.00 3.07 -1.58 -3.07 115.11 112.34 2diy h GLN 55 Ca 0.00 0.01 0.37 0.00 0.09 0.00 0.00 58.65 59.12 2diy h GLN 55 Cb 0.00 0.04 -0.17 0.00 0.08 0.00 0.00 27.48 27.44 2diy h GLN 55 CO 0.00 0.16 0.53 0.52 0.09 0.00 0.00 178.83 180.13 2diy h MET 56 N -0.56 0.15 -0.26 0.06 2.86 -1.50 0.59 114.93 116.27 2diy h MET 56 Ca -0.02 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 2diy h MET 56 Cb 0.43 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 2diy h MET 56 CO 0.03 0.10 0.12 -0.97 1.06 0.00 0.00 176.91 177.25 2diy h ASN 57 N 0.15 0.35 -0.71 1.22 -1.24 -0.47 -2.79 115.58 112.09 2diy h ASN 57 Ca 0.79 -0.14 0.02 0.00 0.71 0.00 0.00 56.30 57.67 2diy h ASN 57 Cb 1.94 -0.09 -0.04 0.00 0.73 0.00 0.00 38.32 40.86 2diy h ASN 57 CO -0.70 0.39 0.46 -0.33 -1.29 0.00 0.00 177.43 175.96 2diy h GLU 58 N 0.28 0.88 -0.73 6.67 5.08 0.18 -2.38 114.58 124.55 2diy h GLU 58 Ca 0.09 -0.05 0.10 0.00 -1.00 0.00 0.00 59.36 58.50 2diy h GLU 58 Cb 0.14 -0.20 -0.08 0.00 0.50 0.00 0.00 28.75 29.12 2diy h GLU 58 CO -0.01 0.58 0.36 0.28 -1.00 0.00 0.00 179.01 179.23 2diy h VAL 59 N 0.91 0.82 0.44 3.13 2.07 -1.06 -2.53 116.25 120.03 2diy h VAL 59 Ca 0.27 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 2diy h VAL 59 Cb -0.04 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 29.90 2diy h VAL 59 CO -0.09 0.11 -0.29 0.24 0.02 0.00 0.00 177.57 177.56 2diy h MET 60 N 0.60 -0.68 -0.87 1.57 2.86 -1.18 -2.40 114.93 114.83 2diy h MET 60 Ca 0.37 0.05 0.17 0.00 -2.06 0.00 0.00 59.70 58.22 2diy h MET 60 Cb 0.42 0.15 -0.16 0.00 0.06 0.00 0.00 31.60 32.07 2diy h MET 60 CO -0.29 -0.45 -0.24 0.00 1.06 0.00 0.00 176.91 176.99 2diy n ALA 61 N -2.51 0.16 -0.11 6.32 0.00 -0.96 0.20 120.51 123.61 2diy n ALA 61 Ca -0.11 0.95 -0.04 0.00 0.00 0.00 0.00 53.44 54.24 2diy n ALA 61 Cb 0.32 -0.55 0.17 0.00 0.00 0.00 0.00 19.45 19.39 2diy n ALA 61 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2diy h GLU 62 N 0.00 0.80 -0.42 0.00 4.39 -1.42 -2.90 114.58 115.02 2diy h GLU 62 Ca 0.40 -0.20 -0.07 0.00 0.34 0.00 0.00 59.36 59.83 2diy h GLU 62 Cb 0.62 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.16 2diy h GLU 62 CO -0.89 0.79 0.00 -0.07 -1.16 0.00 0.00 179.01 177.67 2diy h LEU 63 N 0.76 0.73 -0.35 1.33 3.38 0.28 -1.50 115.31 119.94 2diy h LEU 63 Ca 0.15 -0.31 0.08 0.00 0.09 0.00 0.00 57.88 57.89 2diy h LEU 63 Cb 0.41 -0.20 -0.09 0.00 0.09 0.00 0.00 40.66 40.88 2diy h LEU 63 CO 0.01 0.86 -0.28 0.00 0.09 0.00 0.00 178.44 179.12 2diy h ALA 64 N 0.90 -0.12 -0.28 1.53 0.00 -0.25 0.24 119.26 121.27 2diy h ALA 64 Ca 0.12 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 2diy h ALA 64 Cb 0.49 0.61 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2diy h ALA 64 CO 0.02 -0.68 -0.02 1.57 0.00 0.00 0.00 179.25 180.13 2diy h LYS 65 N -0.24 0.51 -0.59 0.00 2.10 -1.51 -3.12 116.57 113.72 2diy h LYS 65 Ca 0.17 -0.17 0.10 0.00 -2.00 0.00 0.00 60.65 58.74 2diy h LYS 65 Cb 0.51 -0.04 -0.08 0.00 -0.90 0.00 0.00 32.23 31.72 2diy h LYS 65 CO -0.49 0.68 0.18 1.49 -2.00 0.00 0.00 179.45 179.31 2diy h GLU 66 N 0.28 0.32 -3.93 0.07 4.57 -0.55 -3.31 114.58 112.03 2diy h GLU 66 Ca 0.08 -0.02 -0.70 0.00 -1.18 0.00 0.00 59.36 57.54 2diy h GLU 66 Cb 0.47 -0.07 -0.35 0.00 -0.16 0.00 0.00 28.75 28.64 2diy h GLU 66 CO 0.02 0.21 -0.44 -0.51 -1.18 0.00 0.00 179.01 177.12 2diy s LEU 67 N -10.44 5.24 0.31 1.64 1.43 0.77 -4.92 118.68 112.70 2diy s LEU 67 Ca -0.13 -2.54 0.25 0.00 -1.03 0.00 0.00 54.13 50.68 2diy s LEU 67 Cb 0.17 -1.84 1.06 0.00 0.03 0.00 0.00 46.19 45.60 2diy s LEU 67 CO 0.74 -0.44 1.76 1.55 0.23 0.00 0.00 176.35 180.19 2diy h PRO 68 N 7.42 0.00 -0.89 1.29 0.13 -1.66 -2.75 132.00 135.54 2diy h PRO 68 Ca -0.06 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.72 2diy h PRO 68 Cb 0.99 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 31.91 2diy h PRO 68 CO 0.71 0.00 0.44 0.00 -0.23 0.00 0.00 178.00 178.92 2diy n GLN 69 N -2.38 2.83 -4.20 0.86 0.00 -1.26 -4.92 117.38 108.31 2diy n GLN 69 Ca 0.02 -2.81 -0.18 0.00 0.00 0.00 0.00 57.00 54.02 2diy n GLN 69 Cb 0.24 -2.12 -0.12 0.00 0.00 0.00 0.00 30.24 28.24 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 -2.93 1.22 -0.29 -0.39 1.01 -1.04 -4.24 120.40 113.75 2diy s VAL 70 Ca 0.52 -1.49 0.01 0.00 0.00 0.00 0.00 61.98 61.03 2diy s VAL 70 Cb 0.43 -1.29 0.06 0.00 0.00 0.00 0.00 36.38 35.58 2diy s VAL 70 CO 0.11 -0.30 -0.05 -0.44 0.00 0.00 0.00 175.10 174.43 2diy s SER 71 N -2.04 4.66 -0.24 3.32 0.01 0.05 -4.99 113.70 114.47 2diy s SER 71 Ca 0.03 -1.45 -0.10 0.00 1.31 0.00 0.00 55.95 55.73 2diy s SER 71 Cb -0.08 -1.62 -0.05 0.00 0.21 0.00 0.00 66.02 64.48 2diy s SER 71 CO 0.03 -0.24 0.15 -0.36 0.41 0.00 0.00 173.24 173.22 2diy s PHE 72 N 1.13 3.31 -0.03 2.43 0.40 -1.26 -0.67 117.98 123.29 2diy s PHE 72 Ca -0.05 0.21 0.00 0.00 -0.60 0.00 0.00 56.93 56.49 2diy s PHE 72 Cb -0.20 -2.25 0.03 0.00 0.51 0.00 0.00 43.02 41.10 2diy s PHE 72 CO -0.04 0.07 -0.00 0.14 0.70 0.00 0.00 175.22 176.09 2diy s VAL 73 N 1.00 0.23 -0.18 -0.44 -7.23 0.03 -3.42 120.40 110.38 2diy s VAL 73 Ca 0.07 0.07 -0.04 0.00 -1.81 0.00 0.00 61.98 60.27 2diy s VAL 73 Cb -0.13 -0.32 -0.03 0.00 0.56 0.00 0.00 36.38 36.46 2diy s VAL 73 CO 0.04 0.16 -0.02 -1.59 -0.31 0.00 0.00 175.10 173.39 2diy s LYS 74 N 1.11 3.64 0.01 4.82 -2.85 -0.96 -0.98 119.74 124.52 2diy s LYS 74 Ca -0.08 -0.52 0.08 0.00 -1.00 0.00 0.00 55.97 54.45 2diy s LYS 74 Cb -0.13 -3.01 -0.02 0.00 -2.06 0.00 0.00 37.83 32.61 2diy s LYS 74 CO -0.02 0.11 -0.25 -1.17 0.10 0.00 0.00 175.35 174.13 2diy s LEU 75 N 0.72 2.10 -0.38 2.77 0.20 0.06 -2.02 118.68 122.13 2diy s LEU 75 Ca -0.01 -0.50 -0.25 0.00 0.69 0.00 0.00 54.13 54.06 2diy s LEU 75 Cb -0.14 -1.24 0.02 0.00 -0.43 0.00 0.00 46.19 44.39 2diy s LEU 75 CO 0.02 0.27 0.87 -0.70 -0.29 0.00 0.00 176.35 176.52 2diy s GLU 76 N -0.86 3.74 0.24 1.98 2.12 -1.26 -1.93 118.70 122.74 2diy s GLU 76 Ca 0.10 0.39 -0.06 0.00 0.36 0.00 0.00 54.97 55.76 2diy s GLU 76 Cb -0.10 -3.83 0.45 0.00 0.26 0.00 0.00 34.13 30.91 2diy s GLU 76 CO 0.00 -0.96 1.66 0.00 -0.54 0.00 0.00 175.26 175.42 2diy h ALA 77 N 8.59 0.87 0.00 6.30 0.00 -1.85 0.37 119.26 133.55 2diy h ALA 77 Ca -0.24 0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 2diy h ALA 77 Cb 1.08 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 2diy h ALA 77 CO 0.96 -0.38 -0.54 0.93 0.00 0.00 0.00 179.25 180.21 2diy h GLU 78 N 0.19 0.00 -0.06 0.00 5.08 -1.92 -3.27 114.58 114.60 2diy h GLU 78 Ca 0.41 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.73 2diy h GLU 78 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 2diy h GLU 78 CO -0.57 0.54 -0.11 0.78 -1.00 0.00 0.00 179.01 178.66 2diy h GLY 79 N 2.27 0.20 -7.33 -3.84 0.00 -0.80 -3.39 103.07 90.19 2diy h GLY 79 Ca -0.01 -0.23 -0.66 0.00 0.00 0.00 0.00 47.33 46.44 2diy h GLY 79 CO 0.07 0.20 -0.45 0.14 0.00 0.00 0.00 176.54 176.50 2diy s VAL 80 N -4.02 3.27 0.28 4.60 1.01 0.70 -4.86 120.40 121.39 2diy s VAL 80 Ca -0.15 -3.61 0.17 0.00 0.00 0.00 0.00 61.98 58.39 2diy s VAL 80 Cb 0.03 -3.15 0.13 0.00 0.00 0.00 0.00 36.38 33.39 2diy s VAL 80 CO 0.72 -0.93 1.80 1.55 0.00 0.00 0.00 175.10 178.24 2diy h PRO 81 N 6.22 0.00 -0.01 2.72 0.13 -1.76 -3.02 132.00 136.28 2diy h PRO 81 Ca 0.04 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.21 2diy h PRO 81 Cb 0.85 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.93 2diy h PRO 81 CO 0.73 0.36 -0.29 1.49 -0.23 0.00 0.00 178.00 180.06 2diy h GLU 82 N 0.00 -0.42 -0.17 0.86 4.81 -1.91 0.16 114.58 117.92 2diy h GLU 82 Ca -0.00 0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.21 2diy h GLU 82 Cb 0.76 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.23 2diy h GLU 82 CO 0.05 -0.28 -0.06 0.28 -0.73 0.00 0.00 179.01 178.27 2diy h VAL 83 N -0.43 1.30 -0.89 0.32 2.07 -1.96 -2.88 116.25 113.78 2diy h VAL 83 Ca 0.06 -1.07 0.16 0.00 0.82 0.00 0.00 66.70 66.68 2diy h VAL 83 Cb 0.52 1.65 -0.07 0.00 -1.52 0.00 0.00 31.29 31.87 2diy h VAL 83 CO -0.25 0.32 0.58 0.28 0.02 0.00 0.00 177.57 178.51 2diy h SER 84 N 0.04 0.59 0.46 0.57 0.02 -1.37 -2.21 113.55 111.65 2diy h SER 84 Ca 0.04 0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.01 2diy h SER 84 Cb 0.52 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.99 2diy h SER 84 CO 0.02 0.28 -0.22 -0.08 -1.14 0.00 0.00 176.83 175.69 2diy h GLU 85 N 0.61 -0.60 -0.43 3.45 4.57 -0.55 1.24 114.58 122.88 2diy h GLU 85 Ca 0.46 0.04 0.05 0.00 -1.18 0.00 0.00 59.36 58.73 2diy h GLU 85 Cb 0.84 0.14 -0.08 0.00 -0.16 0.00 0.00 28.75 29.49 2diy h GLU 85 CO -0.21 -0.29 -0.55 -0.22 -1.18 0.00 0.00 179.01 176.56 2diy h LYS 86 N -0.90 -0.36 0.00 1.92 3.64 -1.20 0.21 116.57 119.88 2diy h LYS 86 Ca -0.06 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2diy h LYS 86 Cb 0.58 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 2diy h LYS 86 CO 0.10 -0.24 0.00 0.66 -2.27 0.00 0.00 179.45 177.70 2diy n TYR 87 N -5.31 0.47 -3.36 1.91 4.01 -0.95 -4.92 117.16 109.02 2diy n TYR 87 Ca -0.03 0.15 -0.18 0.00 -0.16 0.00 0.00 57.90 57.67 2diy n TYR 87 Cb 0.33 -0.74 0.07 0.00 -0.31 0.00 0.00 39.34 38.70 2diy n TYR 87 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2diy n GLU 88 N -1.89 -6.42 -2.53 -0.72 1.02 0.37 -4.90 120.64 105.57 2diy n GLU 88 Ca 0.05 0.74 -0.40 0.00 -0.02 0.00 0.00 57.16 57.53 2diy n GLU 88 Cb 0.34 -5.47 -0.02 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 -3.30 3.94 -0.57 -3.67 -1.09 0.19 -4.79 121.20 111.90 2diy s ILE 89 Ca 0.25 -1.02 0.00 0.00 -2.23 0.00 0.00 60.65 57.66 2diy s ILE 89 Cb -0.11 -5.03 0.46 0.00 -1.58 0.00 0.00 42.46 36.20 2diy s ILE 89 CO 0.64 -1.89 1.84 -1.54 -1.23 0.00 0.00 174.94 172.76 2diy n SER 90 N 9.15 6.82 -3.61 3.58 3.41 -1.26 -4.90 113.62 126.80 2diy n SER 90 Ca 0.37 -3.77 -0.14 0.00 -0.26 0.00 0.00 58.87 55.07 2diy n SER 90 Cb 0.50 -0.83 -0.07 0.00 -0.26 0.00 0.00 64.21 63.55 2diy n SER 90 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2diy s SER 91 N -2.21 -0.68 0.01 4.04 1.04 -1.26 -5.18 113.70 109.46 2diy s SER 91 Ca 0.61 1.20 -0.08 0.00 0.48 0.00 0.00 55.95 58.17 2diy s SER 91 Cb 0.48 1.19 0.00 0.00 0.10 0.00 0.00 66.02 67.79 2diy s SER 91 CO 0.01 -0.30 0.15 0.68 0.98 0.00 0.00 173.24 174.76 2diy s VAL 92 N 0.05 0.09 0.90 5.02 -7.23 -1.26 -4.21 120.40 113.75 2diy s VAL 92 Ca -0.01 -0.77 -0.12 0.00 -1.81 0.00 0.00 61.98 59.27 2diy s VAL 92 Cb -0.04 -0.58 0.13 0.00 0.56 0.00 0.00 36.38 36.45 2diy s VAL 92 CO 0.01 -0.42 1.09 -2.16 -0.31 0.00 0.00 175.10 173.31 2diy s PRO 93 N -1.73 1.25 -0.30 4.82 0.04 -1.26 -4.89 135.00 132.94 2diy s PRO 93 Ca -0.12 0.82 -0.09 0.00 0.04 0.00 0.00 61.00 61.65 2diy s PRO 93 Cb -0.06 -1.81 0.13 0.00 0.04 0.00 0.00 34.50 32.81 2diy s PRO 93 CO 0.00 -2.25 0.63 0.99 0.04 0.00 0.00 177.00 176.42 2diy s THR 94 N -2.93 -0.98 -0.03 1.26 2.01 -1.22 -3.17 115.64 110.57 2diy s THR 94 Ca 0.63 0.01 -0.03 0.00 0.31 0.00 0.00 61.69 62.61 2diy s THR 94 Cb -0.18 -0.99 -0.04 0.00 0.01 0.00 0.00 72.50 71.30 2diy s THR 94 CO 0.57 0.00 0.17 -0.36 -0.69 0.00 0.00 174.62 174.32 2diy s PHE 95 N 2.88 3.55 -0.26 4.92 0.40 -0.70 0.06 117.98 128.84 2diy s PHE 95 Ca -0.03 0.38 -0.01 0.00 -0.60 0.00 0.00 56.93 56.67 2diy s PHE 95 Cb -0.12 -1.84 0.08 0.00 0.51 0.00 0.00 43.02 41.64 2diy s PHE 95 CO -0.19 0.66 0.05 -0.51 0.70 0.00 0.00 175.22 175.93 2diy s LEU 96 N -1.79 1.90 -0.08 -0.37 1.43 0.37 -2.33 118.68 117.81 2diy s LEU 96 Ca 0.25 -1.28 -0.30 0.00 -1.03 0.00 0.00 54.13 51.78 2diy s LEU 96 Cb -0.13 -0.81 -0.02 0.00 0.03 0.00 0.00 46.19 45.26 2diy s LEU 96 CO 0.16 -0.35 1.04 -0.36 0.23 0.00 0.00 176.35 177.08 2diy s PHE 97 N 1.67 3.47 -0.09 0.29 0.08 -0.92 -2.05 117.98 120.44 2diy s PHE 97 Ca 0.04 1.53 0.04 0.00 0.12 0.00 0.00 56.93 58.66 2diy s PHE 97 Cb -0.17 -3.23 0.00 0.00 -0.57 0.00 0.00 43.02 39.05 2diy s PHE 97 CO -0.16 -0.42 -0.23 -0.06 -0.10 0.00 0.00 175.22 174.25 2diy s PHE 98 N 1.88 2.41 -0.30 0.36 0.08 -0.70 -2.15 117.98 119.55 2diy s PHE 98 Ca 0.51 -0.96 0.02 0.00 0.12 0.00 0.00 56.93 56.62 2diy s PHE 98 Cb -0.20 -1.62 0.08 0.00 -0.57 0.00 0.00 43.02 40.71 2diy s PHE 98 CO 0.20 -0.39 0.01 0.21 -0.10 0.00 0.00 175.22 175.16 2diy s LYS 99 N 0.34 1.50 -0.67 0.44 2.47 0.54 -2.08 119.74 122.28 2diy s LYS 99 Ca -0.17 -1.44 -0.04 0.00 -1.56 0.00 0.00 55.97 52.76 2diy s LYS 99 Cb -0.17 -2.80 0.00 0.00 -1.46 0.00 0.00 37.83 33.40 2diy s LYS 99 CO 0.08 -0.81 0.58 -1.71 0.16 0.00 0.00 175.35 173.65 2diy n ASN 100 N 4.48 -3.80 -1.71 1.43 2.85 -1.10 -2.97 115.26 114.45 2diy n ASN 100 Ca -0.04 -0.28 -0.14 0.00 -0.11 0.00 0.00 54.58 54.02 2diy n ASN 100 Cb 0.42 -2.78 0.00 0.00 1.24 0.00 0.00 39.78 38.67 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 -1.00 -4.33 -3.63 1.20 7.64 -1.26 -5.00 113.62 107.24 2diy n SER 101 Ca -0.02 -0.07 -0.12 0.00 1.01 0.00 0.00 58.87 59.67 2diy n SER 101 Cb 0.54 -3.41 -0.12 0.00 -1.01 0.00 0.00 64.21 60.21 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 -4.87 0.21 -0.05 1.43 -1.52 -1.16 -5.10 119.66 108.61 2diy s GLN 102 Ca 0.06 0.78 -0.30 0.00 -1.95 0.00 0.00 55.36 53.95 2diy s GLN 102 Cb -0.03 -0.03 -0.09 0.00 -0.22 0.00 0.00 33.01 32.65 2diy s GLN 102 CO 0.07 -0.32 2.03 1.17 -0.25 0.00 0.00 175.29 177.99 2diy n LYS 103 N 5.36 2.53 -0.08 2.91 4.81 -1.26 -0.34 118.16 132.09 2diy n LYS 103 Ca -0.07 0.88 -0.09 0.00 -0.87 0.00 0.00 58.31 58.16 2diy n LYS 103 Cb 0.50 -3.00 -0.11 0.00 0.02 0.00 0.00 35.03 32.43 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 6.04 1.08 -4.19 3.15 -5.35 -0.91 -4.90 119.36 114.28 2diy n ILE 104 Ca 0.23 -0.59 -0.14 0.00 -0.27 0.00 0.00 62.75 61.98 2diy n ILE 104 Cb 0.40 -0.77 -0.09 0.00 -1.74 0.00 0.00 39.64 37.44 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 -5.20 0.53 -0.21 7.28 2.15 -1.22 -5.07 116.67 114.92 2diy s ASP 105 Ca -0.13 -1.43 -0.27 0.00 0.43 0.00 0.00 52.55 51.15 2diy s ASP 105 Cb 0.05 0.46 0.08 0.00 -0.30 0.00 0.00 42.92 43.22 2diy s ASP 105 CO 0.58 -0.95 0.79 -0.60 -0.17 0.00 0.00 175.17 174.82 2diy s ARG 106 N -3.91 0.81 -0.15 4.34 3.52 -1.26 -2.16 118.95 120.15 2diy s ARG 106 Ca 0.37 0.68 -0.00 0.00 -0.13 0.00 0.00 55.73 56.65 2diy s ARG 106 Cb 0.05 0.39 0.03 0.00 -1.56 0.00 0.00 34.95 33.86 2diy s ARG 106 CO 0.16 -0.15 -0.09 -1.17 -0.81 0.00 0.00 175.30 173.24 2diy s LEU 107 N -0.13 1.56 -0.13 -0.88 0.20 -0.98 -5.00 118.68 113.31 2diy s LEU 107 Ca -0.02 -0.52 -0.07 0.00 0.69 0.00 0.00 54.13 54.21 2diy s LEU 107 Cb -0.03 -1.00 -0.04 0.00 -0.43 0.00 0.00 46.19 44.69 2diy s LEU 107 CO 0.02 -0.12 0.12 -0.62 -0.29 0.00 0.00 176.35 175.46 2diy s ASP 108 N 1.59 6.23 0.00 3.68 2.15 -1.26 -1.73 116.67 127.33 2diy s ASP 108 Ca 0.03 0.39 0.00 0.00 0.43 0.00 0.00 52.55 53.40 2diy s ASP 108 Cb -0.14 -2.02 0.00 0.00 -0.30 0.00 0.00 42.92 40.46 2diy s ASP 108 CO -0.09 0.36 0.00 0.61 -0.17 0.00 0.00 175.17 175.88 2diy n GLY 109 N 2.31 -0.33 3.56 2.66 0.00 -1.19 -4.85 105.19 107.36 2diy n GLY 109 Ca -0.19 -1.43 -0.39 0.00 0.00 0.00 0.00 46.02 44.01 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 -2.07 2.24 -0.20 4.61 0.00 -1.26 -4.85 121.76 120.23 2diy s ALA 110 Ca 0.00 -0.38 0.01 0.00 0.00 0.00 0.00 51.96 51.59 2diy s ALA 110 Cb 0.00 -4.25 0.05 0.00 0.00 0.00 0.00 23.12 18.91 2diy s ALA 110 CO 0.00 -3.72 -0.08 -1.01 0.00 0.00 0.00 175.76 170.95 2diy s HIS 111 N 9.06 2.28 -0.01 0.00 3.76 -1.26 -5.03 115.29 124.10 2diy s HIS 111 Ca 0.74 -1.54 -0.22 0.00 -0.15 0.00 0.00 55.06 53.89 2diy s HIS 111 Cb -0.15 -1.57 -0.13 0.00 1.11 0.00 0.00 32.58 31.84 2diy s HIS 111 CO 0.24 -0.73 0.94 0.00 -0.85 0.00 0.00 174.74 174.34 2diy h ALA 112 N 8.00 -0.71 -0.13 -1.40 0.00 -1.99 -2.43 119.26 120.60 2diy h ALA 112 Ca -0.25 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.43 2diy h ALA 112 Cb 1.09 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 2diy h ALA 112 CO 0.45 -0.69 -0.13 -1.00 0.00 0.00 0.00 179.25 177.88 2diy h PRO 113 N -1.14 0.31 -0.82 0.00 0.13 -2.01 -3.05 132.00 125.43 2diy h PRO 113 Ca -0.07 -0.16 0.10 0.00 -0.87 0.00 0.00 66.00 64.99 2diy h PRO 113 Cb 0.59 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 31.65 2diy h PRO 113 CO 0.12 0.71 0.46 1.49 -0.23 0.00 0.00 178.00 180.55 2diy h GLU 114 N -0.07 0.73 0.78 0.86 4.57 -1.99 -2.55 114.58 116.92 2diy h GLU 114 Ca 0.02 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.12 2diy h GLU 114 Cb 0.65 -0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 29.07 2diy h GLU 114 CO 0.03 0.49 -0.47 1.25 -1.18 0.00 0.00 179.01 179.13 2diy h LEU 115 N 0.76 -1.18 -0.93 1.64 5.85 -1.44 -2.69 115.31 117.31 2diy h LEU 115 Ca 0.40 0.06 0.27 0.00 0.84 0.00 0.00 57.88 59.46 2diy h LEU 115 Cb 0.39 0.34 -0.15 0.00 0.37 0.00 0.00 40.66 41.61 2diy h LEU 115 CO -0.26 -0.73 0.32 0.74 -0.34 0.00 0.00 178.44 178.16 2diy h THR 116 N -1.17 0.25 0.27 1.05 2.02 -1.38 0.10 112.91 114.05 2diy h THR 116 Ca -0.10 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.01 2diy h THR 116 Cb 0.94 0.04 -0.04 0.00 -1.74 0.00 0.00 68.15 67.35 2diy h THR 116 CO 0.11 0.04 -0.52 0.11 0.37 0.00 0.00 175.52 175.63 2diy h LYS 117 N 0.20 -0.83 -0.61 6.66 1.57 -1.14 0.23 116.57 122.65 2diy h LYS 117 Ca 0.63 0.06 0.01 0.00 -1.87 0.00 0.00 60.65 59.47 2diy h LYS 117 Cb 1.35 0.19 -0.03 0.00 0.08 0.00 0.00 32.23 33.82 2diy h LYS 117 CO -0.68 -0.55 0.40 0.87 -0.57 0.00 0.00 179.45 178.92 2diy h LYS 118 N -0.86 0.80 0.41 3.15 1.57 -0.93 0.25 116.57 120.95 2diy h LYS 118 Ca -0.03 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 2diy h LYS 118 Cb 0.81 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.92 2diy h LYS 118 CO -0.20 0.53 -0.40 0.28 -0.57 0.00 0.00 179.45 179.08 2diy h VAL 119 N 0.82 0.00 -0.45 0.50 2.07 -0.46 0.18 116.25 118.91 2diy h VAL 119 Ca 0.22 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.75 2diy h VAL 119 Cb -0.09 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.65 2diy h VAL 119 CO -0.05 0.00 0.29 1.56 0.02 0.00 0.00 177.57 179.39 2diy h GLN 120 N -0.81 0.60 0.27 1.57 1.08 -0.50 0.34 115.11 117.66 2diy h GLN 120 Ca -0.05 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.10 2diy h GLN 120 Cb 0.70 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.97 2diy h GLN 120 CO -0.04 0.41 -0.38 -0.09 -0.95 0.00 0.00 178.83 177.78 2diy h ARG 121 N 0.60 -0.65 -0.41 1.46 2.43 -0.35 -2.91 114.38 114.56 2diy h ARG 121 Ca 0.16 0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.38 2diy h ARG 121 Cb -0.05 0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 2diy h ARG 121 CO -0.03 -0.43 0.24 0.45 -1.51 0.00 0.00 179.97 178.69 2diy h HIS 122 N -0.67 0.53 -0.69 2.20 3.86 -0.60 -2.77 115.15 117.01 2diy h HIS 122 Ca -0.03 -0.00 0.28 0.00 -1.16 0.00 0.00 60.37 59.46 2diy h HIS 122 Cb 0.61 -0.18 -0.12 0.00 1.06 0.00 0.00 27.41 28.78 2diy h HIS 122 CO -0.28 0.38 0.33 0.00 0.86 0.00 0.00 177.93 179.22 2diy n ALA 123 N -2.23 0.67 -1.52 2.45 0.00 0.12 -4.30 120.51 115.70 2diy n ALA 123 Ca 0.00 0.71 -0.53 0.00 0.00 0.00 0.00 53.44 53.63 2diy n ALA 123 Cb 0.05 -0.69 -0.07 0.00 0.00 0.00 0.00 19.45 18.74 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 -4.60 2.23 -3.76 0.00 2.88 -1.05 -4.84 113.62 104.48 2diy n SER 124 Ca 0.25 0.64 -0.28 0.00 -1.33 0.00 0.00 58.87 58.16 2diy n SER 124 Cb 0.85 -1.22 -0.11 0.00 -0.75 0.00 0.00 64.21 62.98 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 8.32 2.71 -1.74 -3.46 2.88 -1.26 -5.05 113.62 116.03 2diy n SER 125 Ca 0.37 -3.15 0.00 0.00 -1.33 0.00 0.00 58.87 54.76 2diy n SER 125 Cb 0.19 -0.72 0.00 0.00 -0.75 0.00 0.00 64.21 62.93 2diy n SER 125 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2diy n GLY 126 N 1.86 -4.80 3.59 0.46 0.00 -1.26 -4.70 105.19 100.33 2diy n GLY 126 Ca 0.23 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 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 -3.59 3.21 -0.97 1.61 0.04 -1.26 -4.94 135.00 129.09 2diy s PRO 127 Ca 0.00 1.12 -0.14 0.00 0.04 0.00 0.00 61.00 62.03 2diy s PRO 127 Cb 0.00 -4.21 0.21 0.00 0.04 0.00 0.00 34.50 30.54 2diy s PRO 127 CO 0.00 -2.02 1.02 -1.12 0.04 0.00 0.00 177.00 174.92 2diy s SER 128 N 6.16 6.93 0.26 6.66 0.01 -1.26 -5.00 113.70 127.46 2diy s SER 128 Ca 0.73 -2.84 0.02 0.00 1.31 0.00 0.00 55.95 55.17 2diy s SER 128 Cb -0.18 -2.27 -0.05 0.00 0.21 0.00 0.00 66.02 63.72 2diy s SER 128 CO 0.30 -0.62 0.07 -0.94 0.41 0.00 0.00 173.24 172.46 2diy s SER 129 N 2.32 1.47 0.00 2.44 1.04 -1.26 -5.25 113.70 114.46 2diy s SER 129 Ca 0.28 -1.35 0.00 0.00 0.48 0.00 0.00 55.95 55.35 2diy s SER 129 Cb -0.08 0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.14 2diy s SER 129 CO -0.08 -0.67 0.00 0.61 0.98 0.00 0.00 173.24 174.08