#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 4.85 -0.14 1.61 0.15 -1.26 -5.09 113.70 113.81 2diy s SER 2 Ca 0.00 -0.19 0.02 0.00 0.70 0.00 0.00 55.95 56.48 2diy s SER 2 Cb 0.00 -1.83 0.02 0.00 -1.71 0.00 0.00 66.02 62.50 2diy s SER 2 CO 0.00 0.07 -0.19 -0.55 1.20 0.00 0.00 173.24 173.77 2diy s SER 3 N 0.94 2.91 0.12 5.45 0.15 -1.26 -5.12 113.70 116.90 2diy s SER 3 Ca 0.01 -0.56 -0.16 0.00 0.70 0.00 0.00 55.95 55.95 2diy s SER 3 Cb -0.14 -1.34 0.03 0.00 -1.71 0.00 0.00 66.02 62.86 2diy s SER 3 CO 0.02 0.03 0.39 -0.83 1.20 0.00 0.00 173.24 174.04 2diy s GLY 4 N 1.06 -0.25 0.10 9.45 0.00 -1.26 -5.18 107.32 111.25 2diy s GLY 4 Ca -0.02 -0.09 -0.25 0.00 0.00 0.00 0.00 44.72 44.36 2diy s GLY 4 CO -0.06 -0.34 0.65 -0.56 0.00 0.00 0.00 173.10 172.79 2diy s SER 5 N -2.81 -0.57 0.06 1.64 0.01 -1.26 -5.18 113.70 105.59 2diy s SER 5 Ca 0.03 0.15 0.06 0.00 1.31 0.00 0.00 55.95 57.51 2diy s SER 5 Cb 0.02 0.56 -0.03 0.00 0.21 0.00 0.00 66.02 66.79 2diy s SER 5 CO -0.12 -0.85 -0.17 -0.94 0.41 0.00 0.00 173.24 171.57 2diy s SER 6 N -2.38 2.05 0.37 2.44 1.04 -1.26 -5.03 113.70 110.93 2diy s SER 6 Ca -0.01 -0.54 0.00 0.00 0.48 0.00 0.00 55.95 55.88 2diy s SER 6 Cb -0.01 -0.13 0.00 0.00 0.10 0.00 0.00 66.02 65.98 2diy s SER 6 CO -0.08 0.06 0.00 0.61 0.98 0.00 0.00 173.24 174.81 2diy n GLY 7 N 1.66 -0.95 3.93 7.32 0.00 -1.26 -5.02 105.19 110.87 2diy n GLY 7 Ca -0.18 0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 2diy n GLY 7 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2diy n MET 8 N -3.47 -0.81 -2.19 1.61 -0.00 -1.26 -4.77 117.12 106.23 2diy n MET 8 Ca 0.00 0.10 -0.22 0.00 -0.00 0.00 0.00 57.70 57.58 2diy n MET 8 Cb 0.00 -3.54 0.02 0.00 -0.00 0.00 0.00 33.22 29.70 2diy n MET 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2diy n ALA 9 N -3.46 4.76 -3.82 3.17 0.00 -1.26 -4.94 120.51 114.96 2diy n ALA 9 Ca 0.01 -3.76 -0.30 0.00 0.00 0.00 0.00 53.44 49.39 2diy n ALA 9 Cb 0.41 -0.42 -0.14 0.00 0.00 0.00 0.00 19.45 19.30 2diy n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2diy s ALA 10 N -3.60 2.67 -0.30 0.00 0.00 -1.26 -5.06 121.76 114.21 2diy s ALA 10 Ca 0.48 -2.88 -0.19 0.00 0.00 0.00 0.00 51.96 49.37 2diy s ALA 10 Cb 0.40 -2.01 0.21 0.00 0.00 0.00 0.00 23.12 21.72 2diy s ALA 10 CO -0.01 -2.03 1.33 0.20 0.00 0.00 0.00 175.76 175.25 2diy s GLY 11 N 0.10 0.57 -0.08 0.00 0.00 -1.26 -5.16 107.32 101.49 2diy s GLY 11 Ca 0.17 3.78 0.04 0.00 0.00 0.00 0.00 44.72 48.71 2diy s GLY 11 CO -0.00 2.52 -0.22 0.00 0.00 0.00 0.00 173.10 175.39 2diy s ALA 12 N 0.71 2.01 -0.22 3.20 0.00 -1.26 -5.09 121.76 121.11 2diy s ALA 12 Ca -0.03 -0.91 -0.29 0.00 0.00 0.00 0.00 51.96 50.73 2diy s ALA 12 Cb -0.03 -0.72 -0.03 0.00 0.00 0.00 0.00 23.12 22.34 2diy s ALA 12 CO -0.12 0.31 1.79 0.00 0.00 0.00 0.00 175.76 177.74 2diy s ALA 13 N 0.20 3.11 0.35 0.00 0.00 -1.26 -4.96 121.76 119.21 2diy s ALA 13 Ca -0.13 0.54 -0.28 0.00 0.00 0.00 0.00 51.96 52.10 2diy s ALA 13 Cb -0.16 -3.93 -0.10 0.00 0.00 0.00 0.00 23.12 18.94 2diy s ALA 13 CO 0.06 -2.22 1.25 -2.00 0.00 0.00 0.00 175.76 172.86 2diy s GLU 14 N 5.16 4.28 -0.63 0.00 2.12 -1.26 -4.95 118.70 123.41 2diy s GLU 14 Ca 0.80 2.08 -0.26 0.00 0.36 0.00 0.00 54.97 57.94 2diy s GLU 14 Cb -0.27 -2.96 0.04 0.00 0.26 0.00 0.00 34.13 31.19 2diy s GLU 14 CO 0.33 -0.21 1.14 0.00 -0.54 0.00 0.00 175.26 175.98 2diy s ALA 15 N -1.21 2.97 -0.02 6.30 0.00 -1.26 -5.01 121.76 123.52 2diy s ALA 15 Ca 0.51 -1.19 0.02 0.00 0.00 0.00 0.00 51.96 51.30 2diy s ALA 15 Cb -0.37 -4.02 -0.03 0.00 0.00 0.00 0.00 23.12 18.70 2diy s ALA 15 CO 0.48 -2.81 -0.07 0.00 0.00 0.00 0.00 175.76 173.36 2diy s ALA 16 N 4.89 2.97 -0.16 0.00 0.00 -1.26 -5.11 121.76 123.08 2diy s ALA 16 Ca 0.36 -0.97 -0.11 0.00 0.00 0.00 0.00 51.96 51.23 2diy s ALA 16 Cb -0.10 -1.15 -0.05 0.00 0.00 0.00 0.00 23.12 21.83 2diy s ALA 16 CO 0.19 0.59 0.20 0.08 0.00 0.00 0.00 175.76 176.82 2diy s VAL 17 N -0.91 5.37 -0.43 0.00 1.01 -1.26 -5.00 120.40 119.18 2diy s VAL 17 Ca 0.15 0.34 0.05 0.00 0.00 0.00 0.00 61.98 62.52 2diy s VAL 17 Cb -0.11 -3.52 0.42 0.00 0.00 0.00 0.00 36.38 33.17 2diy s VAL 17 CO 0.05 0.46 1.11 0.00 0.00 0.00 0.00 175.10 176.72 2diy n ALA 18 N 3.20 5.02 -2.65 5.51 0.00 -1.26 -4.97 120.51 125.36 2diy n ALA 18 Ca -0.15 -4.28 -0.27 0.00 0.00 0.00 0.00 53.44 48.74 2diy n ALA 18 Cb 0.52 -0.54 -0.08 0.00 0.00 0.00 0.00 19.45 19.35 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 -3.53 3.18 0.12 0.00 0.00 -1.26 -4.09 121.76 116.17 2diy s ALA 19 Ca 0.48 -1.34 -0.30 0.00 0.00 0.00 0.00 51.96 50.80 2diy s ALA 19 Cb 0.40 -0.99 -0.06 0.00 0.00 0.00 0.00 23.12 22.47 2diy s ALA 19 CO -0.18 0.51 0.94 0.08 0.00 0.00 0.00 175.76 177.11 2diy s VAL 20 N -1.66 4.48 0.29 0.00 1.01 -1.26 -4.86 120.40 118.40 2diy s VAL 20 Ca 0.27 2.03 -0.13 0.00 0.00 0.00 0.00 61.98 64.15 2diy s VAL 20 Cb -0.10 -4.30 -0.08 0.00 0.00 0.00 0.00 36.38 31.90 2diy s VAL 20 CO 0.18 0.34 0.67 -1.61 0.00 0.00 0.00 175.10 174.68 2diy s GLU 21 N -0.11 3.93 -0.34 2.72 0.41 -1.11 -4.93 118.70 119.26 2diy s GLU 21 Ca 0.46 0.52 -0.10 0.00 -0.41 0.00 0.00 54.97 55.44 2diy s GLU 21 Cb -0.23 -2.51 0.01 0.00 -1.78 0.00 0.00 34.13 29.62 2diy s GLU 21 CO 0.29 0.21 0.16 -2.00 -0.49 0.00 0.00 175.26 173.44 2diy s GLU 22 N -2.93 3.06 -0.39 1.61 2.56 -1.26 -1.68 118.70 119.66 2diy s GLU 22 Ca 0.52 -0.91 -0.15 0.00 0.00 0.00 0.00 54.97 54.43 2diy s GLU 22 Cb -0.11 -3.60 0.01 0.00 2.00 0.00 0.00 34.13 32.44 2diy s GLU 22 CO 0.19 -0.55 0.30 0.08 -0.56 0.00 0.00 175.26 174.72 2diy s VAL 23 N 1.56 5.25 -0.29 3.70 1.01 -0.52 -4.94 120.40 126.17 2diy s VAL 23 Ca 0.03 -0.51 0.08 0.00 0.00 0.00 0.00 61.98 61.58 2diy s VAL 23 Cb -0.18 -3.88 0.45 0.00 0.00 0.00 0.00 36.38 32.77 2diy s VAL 23 CO 0.06 -0.24 1.26 0.61 0.00 0.00 0.00 175.10 176.79 2diy n GLY 24 N 5.14 5.93 3.64 4.51 0.00 -1.26 -3.92 105.19 119.22 2diy n GLY 24 Ca -0.11 -2.17 -0.06 0.00 0.00 0.00 0.00 46.02 43.68 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 -3.34 -0.21 0.17 1.61 1.04 -1.26 -4.80 113.70 106.91 2diy s SER 25 Ca 0.48 0.38 -0.14 0.00 0.48 0.00 0.00 55.95 57.15 2diy s SER 25 Cb 0.40 0.38 0.11 0.00 0.10 0.00 0.00 66.02 67.01 2diy s SER 25 CO 0.00 -0.09 1.79 0.00 0.98 0.00 0.00 173.24 175.92 2diy h ALA 26 N 3.34 0.61 -0.66 5.32 0.00 -1.94 -2.51 119.26 123.42 2diy h ALA 26 Ca -0.25 0.01 0.11 0.00 0.00 0.00 0.00 54.91 54.78 2diy h ALA 26 Cb 1.19 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.81 2diy h ALA 26 CO 0.17 -0.08 0.24 0.78 0.00 0.00 0.00 179.25 180.36 2diy h GLY 27 N 0.51 0.94 0.86 0.00 0.00 -1.97 0.27 103.07 103.68 2diy h GLY 27 Ca 0.21 -0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.41 2diy h GLY 27 CO -0.13 -0.05 -0.19 -1.61 0.00 0.00 0.00 176.54 174.56 2diy h GLN 28 N 0.41 -0.44 0.75 4.80 4.15 -1.87 0.28 115.11 123.19 2diy h GLN 28 Ca 0.34 0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.76 2diy h GLN 28 Cb 0.47 0.10 0.01 0.00 0.21 0.00 0.00 27.48 28.27 2diy h GLN 28 CO -0.35 -0.30 -0.36 0.35 -1.93 0.00 0.00 178.83 176.25 2diy h PHE 29 N -0.46 -0.93 -0.99 3.99 3.57 -1.15 0.15 116.94 121.11 2diy h PHE 29 Ca -0.02 -0.02 0.23 0.00 3.53 0.00 0.00 57.97 61.69 2diy h PHE 29 Cb 0.40 0.31 -0.09 0.00 2.79 0.00 0.00 35.95 39.36 2diy h PHE 29 CO -0.11 -0.58 0.63 0.93 -2.23 0.00 0.00 178.31 176.95 2diy h GLU 30 N -1.10 0.48 0.03 1.11 4.39 -0.51 -0.05 114.58 118.93 2diy h GLU 30 Ca -0.10 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.57 2diy h GLU 30 Cb 0.77 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.31 2diy h GLU 30 CO 0.17 0.31 -0.01 1.49 -1.16 0.00 0.00 179.01 179.81 2diy h GLU 31 N 0.49 -0.04 -0.58 2.33 4.22 -0.26 -3.21 114.58 117.53 2diy h GLU 31 Ca 0.56 0.00 0.05 0.00 0.08 0.00 0.00 59.36 60.05 2diy h GLU 31 Cb 1.27 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.48 2diy h GLU 31 CO -0.29 0.35 0.31 1.25 -2.18 0.00 0.00 179.01 178.45 2diy h LEU 32 N -0.44 0.44 -0.82 1.64 5.85 0.44 -2.41 115.31 120.02 2diy h LEU 32 Ca -0.00 0.03 0.26 0.00 0.84 0.00 0.00 57.88 59.01 2diy h LEU 32 Cb 0.41 -0.05 -0.15 0.00 0.37 0.00 0.00 40.66 41.23 2diy h LEU 32 CO 0.01 0.30 0.15 0.18 -0.34 0.00 0.00 178.44 178.73 2diy n LEU 33 N -4.84 0.02 0.38 2.25 4.77 -0.17 -0.23 117.00 119.18 2diy n LEU 33 Ca 0.06 1.38 -0.15 0.00 -0.03 0.00 0.00 56.01 57.27 2diy n LEU 33 Cb 0.15 -0.55 -0.07 0.00 -2.33 0.00 0.00 43.42 40.62 2diy n LEU 33 CO 0.29 -1.44 0.46 0.03 -1.33 0.00 0.00 177.39 175.39 2diy h ARG 34 N 0.00 -0.95 -0.43 3.23 -0.00 -1.54 -1.80 114.38 112.90 2diy h ARG 34 Ca 0.56 0.06 0.09 0.00 -0.50 0.00 0.00 59.98 60.19 2diy h ARG 34 Cb 1.27 0.22 -0.09 0.00 0.00 0.00 0.00 29.97 31.37 2diy h ARG 34 CO -0.72 -0.63 -0.16 -0.07 0.00 0.00 0.00 179.97 178.39 2diy h LEU 35 N -1.10 -0.55 -3.59 3.04 3.38 -0.67 -0.16 115.31 115.66 2diy h LEU 35 Ca -0.10 0.15 -0.36 0.00 0.09 0.00 0.00 57.88 57.66 2diy h LEU 35 Cb 0.75 0.32 -0.15 0.00 0.09 0.00 0.00 40.66 41.68 2diy h LEU 35 CO 0.16 -0.19 0.44 0.29 0.09 0.00 0.00 178.44 179.23 2diy n LYS 36 N -5.36 1.90 -0.05 1.13 4.76 0.64 -4.41 118.16 116.77 2diy n LYS 36 Ca 0.03 -1.71 -0.14 0.00 -2.87 0.00 0.00 58.31 53.61 2diy n LYS 36 Cb 0.27 -1.69 -0.13 0.00 -1.84 0.00 0.00 35.03 31.64 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 1.63 -0.00 -0.19 7.82 0.00 -0.10 -3.36 119.26 125.06 2diy h ALA 37 Ca 0.31 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2diy h ALA 37 Cb 0.89 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2diy h ALA 37 CO 0.81 0.01 0.08 0.87 0.00 0.00 0.00 179.25 181.02 2diy h LYS 38 N -0.88 0.27 -7.46 0.00 1.57 -1.80 0.02 116.57 108.29 2diy h LYS 38 Ca -0.01 -0.04 -0.45 0.00 -1.87 0.00 0.00 60.65 58.27 2diy h LYS 38 Cb 1.00 -0.05 0.14 0.00 0.08 0.00 0.00 32.23 33.40 2diy h LYS 38 CO 0.01 0.32 0.27 0.45 -0.57 0.00 0.00 179.45 179.93 2diy s SER 39 N -5.55 3.11 -0.35 0.86 0.15 -1.26 -4.78 113.70 105.87 2diy s SER 39 Ca -0.14 0.98 -0.21 0.00 0.70 0.00 0.00 55.95 57.28 2diy s SER 39 Cb 0.07 -1.55 0.00 0.00 -1.71 0.00 0.00 66.02 62.84 2diy s SER 39 CO 0.70 -2.80 0.69 -0.22 1.20 0.00 0.00 173.24 172.80 2diy s LEU 40 N -6.19 4.20 0.11 3.45 2.96 -1.26 -4.45 118.68 117.51 2diy s LEU 40 Ca 0.65 0.25 -0.12 0.00 -0.22 0.00 0.00 54.13 54.68 2diy s LEU 40 Cb -0.15 -2.87 -0.06 0.00 0.50 0.00 0.00 46.19 43.60 2diy s LEU 40 CO 0.55 -0.63 0.48 -0.22 -1.32 0.00 0.00 176.35 175.21 2diy s LEU 41 N 2.83 4.35 -0.22 -0.68 2.96 -0.86 -2.08 118.68 124.98 2diy s LEU 41 Ca 0.27 0.95 -0.03 0.00 -0.22 0.00 0.00 54.13 55.10 2diy s LEU 41 Cb -0.14 -3.12 0.07 0.00 0.50 0.00 0.00 46.19 43.50 2diy s LEU 41 CO 0.15 0.14 0.06 -0.69 -1.32 0.00 0.00 176.35 174.70 2diy s VAL 42 N -1.42 0.40 -0.01 1.68 1.01 -0.32 -1.91 120.40 119.84 2diy s VAL 42 Ca 0.35 -0.64 -0.17 0.00 0.00 0.00 0.00 61.98 61.52 2diy s VAL 42 Cb -0.15 -1.04 -0.06 0.00 0.00 0.00 0.00 36.38 35.13 2diy s VAL 42 CO 0.18 -0.35 0.49 -0.69 0.00 0.00 0.00 175.10 174.73 2diy s VAL 43 N 1.90 4.97 -0.11 2.92 1.01 -0.75 -1.28 120.40 129.05 2diy s VAL 43 Ca 0.02 1.02 0.02 0.00 0.00 0.00 0.00 61.98 63.04 2diy s VAL 43 Cb -0.17 -3.81 0.01 0.00 0.00 0.00 0.00 36.38 32.41 2diy s VAL 43 CO -0.14 0.50 -0.17 -2.28 0.00 0.00 0.00 175.10 173.00 2diy s HIS 44 N -0.59 2.12 -0.41 5.22 5.04 0.00 -0.69 115.29 125.98 2diy s HIS 44 Ca 0.27 -0.98 -0.21 0.00 -1.54 0.00 0.00 55.06 52.59 2diy s HIS 44 Cb -0.17 -1.50 0.02 0.00 0.04 0.00 0.00 32.58 30.97 2diy s HIS 44 CO 0.15 -0.47 0.68 -0.06 -2.34 0.00 0.00 174.74 172.69 2diy s PHE 45 N 0.84 3.08 -0.09 3.88 0.40 -0.60 -0.34 117.98 125.15 2diy s PHE 45 Ca -0.09 0.17 0.02 0.00 -0.60 0.00 0.00 56.93 56.43 2diy s PHE 45 Cb -0.15 -3.36 -0.02 0.00 0.51 0.00 0.00 43.02 40.00 2diy s PHE 45 CO 0.00 -0.81 -0.15 1.67 0.70 0.00 0.00 175.22 176.64 2diy s TRP 46 N 2.91 2.73 -0.02 0.36 1.48 -0.89 -3.75 118.94 121.76 2diy s TRP 46 Ca 0.25 -0.45 0.05 0.00 -1.06 0.00 0.00 56.10 54.89 2diy s TRP 46 Cb -0.14 -1.73 -0.03 0.00 -1.16 0.00 0.00 33.47 30.42 2diy s TRP 46 CO 0.18 -0.05 -0.15 0.00 -4.06 0.00 0.00 176.95 172.87 2diy s ALA 47 N -0.15 2.64 -2.00 2.67 0.00 -1.26 -3.35 121.76 120.32 2diy s ALA 47 Ca -0.01 -1.04 0.11 0.00 0.00 0.00 0.00 51.96 51.02 2diy s ALA 47 Cb -0.14 -0.90 0.66 0.00 0.00 0.00 0.00 23.12 22.75 2diy s ALA 47 CO 0.03 0.56 1.09 -0.35 0.00 0.00 0.00 175.76 177.10 2diy n PRO 48 N 2.06 0.49 0.00 0.00 -0.04 -1.26 -3.14 135.00 133.12 2diy n PRO 48 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 2diy n PRO 48 Cb 0.52 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.63 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 -0.85 0.00 -1.88 0.54 4.27 -1.26 -4.99 117.44 113.27 2diy n TRP 49 Ca 0.08 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.26 2diy n TRP 49 Cb 0.04 0.00 -0.03 0.00 -1.36 0.00 0.00 31.31 29.96 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 -1.99 2.94 -1.92 -1.67 0.00 -1.19 -4.83 121.76 113.10 2diy s ALA 50 Ca 0.00 0.52 0.16 0.00 0.00 0.00 0.00 51.96 52.64 2diy s ALA 50 Cb 0.00 -3.99 0.91 0.00 0.00 0.00 0.00 23.12 20.04 2diy s ALA 50 CO 0.00 -2.50 1.36 -0.35 0.00 0.00 0.00 175.76 174.27 2diy n PRO 51 N 8.34 0.45 0.06 0.00 -0.04 -1.26 -2.88 135.00 139.68 2diy n PRO 51 Ca 0.24 0.02 -0.21 0.00 -0.04 0.00 0.00 63.50 63.52 2diy n PRO 51 Cb 0.46 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.27 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 0.32 0.00 0.54 7.50 -1.93 -3.26 115.11 118.29 2diy h GLN 52 Ca 0.00 -0.55 0.00 0.00 0.50 0.00 0.00 58.65 58.60 2diy h GLN 52 Cb 0.02 0.21 0.00 0.00 0.05 0.00 0.00 27.48 27.75 2diy h GLN 52 CO 0.00 1.26 0.36 0.00 -1.50 0.00 0.00 178.83 178.96 2diy h ALA 54 N 1.26 -0.64 -0.97 0.00 0.00 -1.74 -0.10 119.26 117.07 2diy h ALA 54 Ca 0.00 -0.01 0.17 0.00 0.00 0.00 0.00 54.91 55.07 2diy h ALA 54 Cb 0.73 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.45 2diy h ALA 54 CO 0.00 -0.64 0.61 -0.56 0.00 0.00 0.00 179.25 178.66 2diy h GLN 55 N -0.07 0.72 -0.23 0.00 3.07 -1.63 -1.04 115.11 115.94 2diy h GLN 55 Ca -0.00 -0.04 -0.02 0.00 0.09 0.00 0.00 58.65 58.67 2diy h GLN 55 Cb 0.04 -0.16 -0.01 0.00 0.08 0.00 0.00 27.48 27.42 2diy h GLN 55 CO 0.01 0.48 0.06 0.52 0.09 0.00 0.00 178.83 179.99 2diy h MET 56 N 0.74 0.37 -0.83 0.06 2.86 -1.50 -2.66 114.93 113.97 2diy h MET 56 Ca 0.52 -0.09 0.11 0.00 -2.06 0.00 0.00 59.70 58.18 2diy h MET 56 Cb 0.82 -0.05 -0.08 0.00 0.06 0.00 0.00 31.60 32.36 2diy h MET 56 CO -0.29 0.47 0.46 -0.91 1.06 0.00 0.00 176.91 177.70 2diy h ASN 57 N 0.20 0.63 -0.12 1.22 2.35 0.31 -1.84 115.58 118.31 2diy h ASN 57 Ca 0.07 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 2diy h ASN 57 Cb 0.27 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 2diy h ASN 57 CO -0.00 0.34 0.08 -0.33 -1.65 0.00 0.00 177.43 175.86 2diy h GLU 58 N 0.74 0.17 -0.52 0.81 5.08 -1.25 -2.84 114.58 116.78 2diy h GLU 58 Ca 0.41 -0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.84 2diy h GLU 58 Cb 0.45 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.59 2diy h GLU 58 CO -0.28 0.14 0.14 0.28 -1.00 0.00 0.00 179.01 178.29 2diy h VAL 59 N 0.15 0.76 -0.07 3.13 2.07 -1.01 -2.74 116.25 118.54 2diy h VAL 59 Ca 0.05 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.49 2diy h VAL 59 Cb 0.01 0.44 -0.06 0.00 -1.52 0.00 0.00 31.29 30.16 2diy h VAL 59 CO -0.01 0.05 -0.50 0.24 0.02 0.00 0.00 177.57 177.37 2diy h MET 60 N 0.30 -0.56 -0.88 1.57 2.86 -1.14 -1.62 114.93 115.46 2diy h MET 60 Ca 0.26 0.04 0.18 0.00 -2.06 0.00 0.00 59.70 58.11 2diy h MET 60 Cb 0.32 0.13 -0.17 0.00 0.06 0.00 0.00 31.60 31.94 2diy h MET 60 CO -0.30 -0.37 -0.22 0.00 1.06 0.00 0.00 176.91 177.08 2diy h ALA 61 N -0.44 0.58 -0.46 6.32 0.00 -1.33 1.27 119.26 125.20 2diy h ALA 61 Ca 0.02 0.34 0.09 0.00 0.00 0.00 0.00 54.91 55.36 2diy h ALA 61 Cb 0.65 0.66 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 2diy h ALA 61 CO -0.37 -0.40 0.32 0.93 0.00 0.00 0.00 179.25 179.73 2diy h GLU 62 N 0.00 0.24 0.18 0.00 5.08 -1.14 -2.05 114.58 116.88 2diy h GLU 62 Ca 0.42 -0.01 -0.24 0.00 -1.00 0.00 0.00 59.36 58.52 2diy h GLU 62 Cb 0.64 -0.05 0.03 0.00 0.50 0.00 0.00 28.75 29.87 2diy h GLU 62 CO -0.90 0.16 -1.07 -0.07 -1.00 0.00 0.00 179.01 176.13 2diy h LEU 63 N 0.24 0.63 -0.60 1.33 3.38 0.21 -3.16 115.31 117.34 2diy h LEU 63 Ca 0.21 -0.93 0.05 0.00 0.09 0.00 0.00 57.88 57.31 2diy h LEU 63 Cb 0.52 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 41.00 2diy h LEU 63 CO -0.04 1.51 -0.35 0.00 0.09 0.00 0.00 178.44 179.65 2diy n ALA 64 N -2.68 -0.38 -0.20 1.53 0.00 0.77 0.22 120.51 119.77 2diy n ALA 64 Ca -0.15 0.51 -0.07 0.00 0.00 0.00 0.00 53.44 53.73 2diy n ALA 64 Cb 0.93 0.06 0.03 0.00 0.00 0.00 0.00 19.45 20.46 2diy n ALA 64 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2diy h LYS 65 N 0.00 0.84 -0.97 0.00 2.10 -1.70 -2.58 116.57 114.26 2diy h LYS 65 Ca 0.10 -0.13 0.18 0.00 -2.00 0.00 0.00 60.65 58.79 2diy h LYS 65 Cb 0.25 -0.15 -0.09 0.00 -0.90 0.00 0.00 32.23 31.34 2diy h LYS 65 CO -0.56 0.70 0.61 1.49 -2.00 0.00 0.00 179.45 179.68 2diy h GLU 66 N 0.78 0.68 -3.26 0.07 4.57 -0.59 -3.29 114.58 113.54 2diy h GLU 66 Ca 0.20 -0.04 -0.62 0.00 -1.18 0.00 0.00 59.36 57.71 2diy h GLU 66 Cb 0.15 -0.15 -0.40 0.00 -0.16 0.00 0.00 28.75 28.18 2diy h GLU 66 CO -0.02 0.45 -0.71 -0.51 -1.18 0.00 0.00 179.01 177.04 2diy s LEU 67 N -9.99 3.26 0.29 1.64 1.43 0.13 -4.95 118.68 110.49 2diy s LEU 67 Ca -0.10 -2.62 0.24 0.00 -1.03 0.00 0.00 54.13 50.62 2diy s LEU 67 Cb 0.24 -1.23 1.02 0.00 0.03 0.00 0.00 46.19 46.25 2diy s LEU 67 CO 0.80 -0.28 1.74 1.55 0.23 0.00 0.00 176.35 180.39 2diy h PRO 68 N 6.84 0.00 -0.69 1.29 0.13 -1.63 -2.62 132.00 135.32 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 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 2diy h PRO 68 CO 0.54 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.31 2diy n GLN 69 N -2.32 2.72 -4.26 0.86 10.64 -1.26 -4.87 117.38 118.89 2diy n GLN 69 Ca 0.02 -1.54 -0.18 0.00 -1.83 0.00 0.00 57.00 53.47 2diy n GLN 69 Cb 0.23 -1.75 -0.11 0.00 -0.86 0.00 0.00 30.24 27.76 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 -1.80 1.40 -0.26 -0.39 1.01 -0.99 -4.10 120.40 115.27 2diy s VAL 70 Ca 0.27 -1.85 0.02 0.00 0.00 0.00 0.00 61.98 60.42 2diy s VAL 70 Cb 0.19 -1.67 0.06 0.00 0.00 0.00 0.00 36.38 34.97 2diy s VAL 70 CO 0.10 -0.48 -0.08 -0.44 0.00 0.00 0.00 175.10 174.20 2diy s SER 71 N -2.69 4.27 -0.38 3.32 0.01 -0.88 -5.01 113.70 112.34 2diy s SER 71 Ca 0.12 -1.38 -0.17 0.00 1.31 0.00 0.00 55.95 55.83 2diy s SER 71 Cb -0.03 -1.43 0.01 0.00 0.21 0.00 0.00 66.02 64.78 2diy s SER 71 CO 0.03 -0.22 0.44 -0.36 0.41 0.00 0.00 173.24 173.54 2diy s PHE 72 N 1.19 3.18 -0.11 2.43 0.08 -1.26 -1.18 117.98 122.31 2diy s PHE 72 Ca -0.06 -0.14 0.03 0.00 0.12 0.00 0.00 56.93 56.88 2diy s PHE 72 Cb -0.20 -2.85 0.01 0.00 -0.57 0.00 0.00 43.02 39.41 2diy s PHE 72 CO -0.06 -0.59 -0.20 0.14 -0.10 0.00 0.00 175.22 174.41 2diy s VAL 73 N 2.19 1.79 -0.13 -0.44 -7.23 -0.41 -2.76 120.40 113.42 2diy s VAL 73 Ca 0.14 -0.84 -0.04 0.00 -1.81 0.00 0.00 61.98 59.43 2diy s VAL 73 Cb -0.16 -1.59 -0.03 0.00 0.56 0.00 0.00 36.38 35.15 2diy s VAL 73 CO 0.13 0.50 0.02 -1.59 -0.31 0.00 0.00 175.10 173.85 2diy s LYS 74 N 0.68 3.42 -0.03 4.82 -2.85 -0.67 -0.82 119.74 124.30 2diy s LYS 74 Ca -0.12 -0.40 0.03 0.00 -1.00 0.00 0.00 55.97 54.49 2diy s LYS 74 Cb -0.16 -2.96 -0.00 0.00 -2.06 0.00 0.00 37.83 32.65 2diy s LYS 74 CO 0.03 0.50 -0.13 -1.17 0.10 0.00 0.00 175.35 174.67 2diy s LEU 75 N -0.30 1.86 -0.37 2.77 0.20 0.54 -1.44 118.68 121.95 2diy s LEU 75 Ca 0.07 -0.26 -0.26 0.00 0.69 0.00 0.00 54.13 54.37 2diy s LEU 75 Cb -0.12 -0.74 0.02 0.00 -0.43 0.00 0.00 46.19 44.91 2diy s LEU 75 CO 0.02 0.11 0.94 -0.70 -0.29 0.00 0.00 176.35 176.43 2diy s GLU 76 N 0.07 3.85 0.20 1.98 2.12 -1.25 -2.10 118.70 123.57 2diy s GLU 76 Ca -0.02 0.60 -0.18 0.00 0.36 0.00 0.00 54.97 55.72 2diy s GLU 76 Cb -0.09 -3.80 0.18 0.00 0.26 0.00 0.00 34.13 30.67 2diy s GLU 76 CO 0.01 -0.96 1.58 0.00 -0.54 0.00 0.00 175.26 175.35 2diy h ALA 77 N 8.48 0.10 0.00 6.30 0.00 -1.86 1.01 119.26 133.29 2diy h ALA 77 Ca -0.23 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2diy h ALA 77 Cb 1.08 0.77 -0.00 0.00 0.00 0.00 0.00 17.79 19.64 2diy h ALA 77 CO 0.99 -0.61 -0.00 0.93 0.00 0.00 0.00 179.25 180.56 2diy h GLU 78 N -0.10 0.00 0.07 0.00 4.39 -1.92 -3.10 114.58 113.91 2diy h GLU 78 Ca 0.28 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.83 2diy h GLU 78 Cb 0.56 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.22 2diy h GLU 78 CO -0.75 0.00 -0.61 0.78 -1.16 0.00 0.00 179.01 177.27 2diy h GLY 79 N 1.88 0.34 -7.16 -3.84 0.00 0.51 -3.40 103.07 91.40 2diy h GLY 79 Ca -0.00 -0.72 -0.63 0.00 0.00 0.00 0.00 47.33 45.99 2diy h GLY 79 CO 0.00 0.63 -0.59 0.14 0.00 0.00 0.00 176.54 176.72 2diy s VAL 80 N -2.76 2.82 0.27 4.60 1.01 0.73 -4.77 120.40 122.30 2diy s VAL 80 Ca -0.14 -4.05 0.18 0.00 0.00 0.00 0.00 61.98 57.97 2diy s VAL 80 Cb 0.01 -2.88 0.14 0.00 0.00 0.00 0.00 36.38 33.66 2diy s VAL 80 CO 0.81 -0.96 1.81 1.55 0.00 0.00 0.00 175.10 178.31 2diy h PRO 81 N 5.66 0.00 -0.13 2.72 0.13 -1.78 -2.88 132.00 135.71 2diy h PRO 81 Ca 0.09 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.26 2diy h PRO 81 Cb 0.79 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.88 2diy h PRO 81 CO 0.71 0.34 -0.10 1.49 -0.23 0.00 0.00 178.00 180.21 2diy h GLU 82 N 0.00 -0.11 0.13 0.86 4.57 -1.91 -0.43 114.58 117.70 2diy h GLU 82 Ca -0.00 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.18 2diy h GLU 82 Cb 0.75 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.37 2diy h GLU 82 CO 0.04 -0.07 -0.06 0.28 -1.18 0.00 0.00 179.01 178.02 2diy h VAL 83 N -0.11 1.00 -1.02 0.32 2.07 -1.96 -3.11 116.25 113.44 2diy h VAL 83 Ca 0.09 -1.14 0.30 0.00 0.82 0.00 0.00 66.70 66.77 2diy h VAL 83 Cb 0.23 1.65 -0.14 0.00 -1.52 0.00 0.00 31.29 31.52 2diy h VAL 83 CO -0.20 0.25 0.60 0.28 0.02 0.00 0.00 177.57 178.52 2diy h SER 84 N -0.78 0.54 0.60 0.57 0.02 -1.46 -0.35 113.55 112.70 2diy h SER 84 Ca -0.02 0.17 -0.03 0.00 -0.84 0.00 0.00 61.79 61.07 2diy h SER 84 Cb 0.54 0.10 0.01 0.00 0.14 0.00 0.00 62.40 63.19 2diy h SER 84 CO 0.03 -0.06 -0.29 -0.08 -1.14 0.00 0.00 176.83 175.29 2diy h GLU 85 N 0.38 -0.78 -0.51 3.45 4.22 -1.09 1.62 114.58 121.88 2diy h GLU 85 Ca 0.71 0.05 0.06 0.00 0.08 0.00 0.00 59.36 60.26 2diy h GLU 85 Cb 1.60 0.18 -0.09 0.00 0.50 0.00 0.00 28.75 30.93 2diy h GLU 85 CO -0.54 -0.48 -0.53 -0.22 -2.18 0.00 0.00 179.01 175.06 2diy h LYS 86 N -0.92 -0.31 0.00 1.92 3.64 -1.01 0.29 116.57 120.19 2diy h LYS 86 Ca -0.08 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2diy h LYS 86 Cb 0.66 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 2diy h LYS 86 CO 0.14 -0.20 0.00 0.66 -2.27 0.00 0.00 179.45 177.77 2diy n TYR 87 N -5.37 0.61 -3.44 1.91 4.02 -0.93 -4.92 117.16 109.03 2diy n TYR 87 Ca -0.02 0.19 -0.20 0.00 -0.01 0.00 0.00 57.90 57.86 2diy n TYR 87 Cb 0.34 -0.80 0.07 0.00 -0.02 0.00 0.00 39.34 38.93 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 -2.00 -6.87 -2.46 -0.72 1.02 0.52 -4.89 120.64 105.23 2diy n GLU 88 Ca 0.05 0.73 -0.39 0.00 -0.02 0.00 0.00 57.16 57.54 2diy n GLU 88 Cb 0.36 -5.48 -0.02 0.00 -0.02 0.00 0.00 31.44 26.28 2diy n GLU 88 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2diy s ILE 89 N -3.29 3.93 -0.58 -3.67 -1.09 0.10 -4.77 121.20 111.84 2diy s ILE 89 Ca 0.44 -1.33 0.00 0.00 -2.23 0.00 0.00 60.65 57.53 2diy s ILE 89 Cb -0.19 -4.98 0.46 0.00 -1.58 0.00 0.00 42.46 36.17 2diy s ILE 89 CO 0.64 -1.78 1.86 -0.24 -1.23 0.00 0.00 174.94 174.20 2diy n SER 90 N 9.79 6.89 -3.65 3.58 2.88 -1.26 -4.92 113.62 126.93 2diy n SER 90 Ca 0.43 -3.77 -0.13 0.00 -1.33 0.00 0.00 58.87 54.06 2diy n SER 90 Cb 0.48 -0.85 -0.08 0.00 -0.75 0.00 0.00 64.21 63.01 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 -2.15 -0.70 0.01 -3.46 0.01 -1.26 -5.18 113.70 100.98 2diy s SER 91 Ca 0.62 1.33 -0.07 0.00 1.31 0.00 0.00 55.95 59.13 2diy s SER 91 Cb 0.49 1.33 0.00 0.00 0.21 0.00 0.00 66.02 68.05 2diy s SER 91 CO 0.01 -0.23 0.14 0.68 0.41 0.00 0.00 173.24 174.25 2diy s VAL 92 N 0.46 0.09 0.81 3.43 -7.23 -1.26 -4.15 120.40 112.56 2diy s VAL 92 Ca -0.01 -0.78 -0.11 0.00 -1.81 0.00 0.00 61.98 59.27 2diy s VAL 92 Cb -0.05 -0.57 0.08 0.00 0.56 0.00 0.00 36.38 36.40 2diy s VAL 92 CO -0.01 -0.43 1.09 -2.16 -0.31 0.00 0.00 175.10 173.28 2diy s PRO 93 N -1.73 1.97 -0.30 4.82 0.04 -1.26 -4.91 135.00 133.62 2diy s PRO 93 Ca -0.12 1.07 -0.08 0.00 0.04 0.00 0.00 61.00 61.91 2diy s PRO 93 Cb -0.06 -1.87 0.15 0.00 0.04 0.00 0.00 34.50 32.76 2diy s PRO 93 CO 0.00 -1.82 0.67 0.99 0.04 0.00 0.00 177.00 176.88 2diy s THR 94 N -2.91 -0.95 0.17 1.26 2.01 -1.25 -2.27 115.64 111.70 2diy s THR 94 Ca 0.62 0.00 -0.04 0.00 0.31 0.00 0.00 61.69 62.58 2diy s THR 94 Cb -0.17 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.28 2diy s THR 94 CO 0.56 0.00 0.40 -0.36 -0.69 0.00 0.00 174.62 174.53 2diy s PHE 95 N 2.86 3.47 -0.21 4.92 0.40 0.13 -1.56 117.98 127.99 2diy s PHE 95 Ca 0.00 0.54 -0.04 0.00 -0.60 0.00 0.00 56.93 56.83 2diy s PHE 95 Cb -0.12 -2.00 0.07 0.00 0.51 0.00 0.00 43.02 41.48 2diy s PHE 95 CO -0.19 0.40 0.08 -0.51 0.70 0.00 0.00 175.22 175.70 2diy s LEU 96 N -2.84 0.77 -0.10 -0.37 1.43 0.13 -1.97 118.68 115.72 2diy s LEU 96 Ca 0.41 -0.90 -0.30 0.00 -1.03 0.00 0.00 54.13 52.32 2diy s LEU 96 Cb -0.12 -0.41 -0.01 0.00 0.03 0.00 0.00 46.19 45.67 2diy s LEU 96 CO 0.26 -0.36 1.05 -0.36 0.23 0.00 0.00 176.35 177.17 2diy s PHE 97 N 2.01 3.43 -0.17 0.29 0.40 -0.83 -1.81 117.98 121.29 2diy s PHE 97 Ca 0.03 1.50 0.01 0.00 -0.60 0.00 0.00 56.93 57.87 2diy s PHE 97 Cb -0.16 -3.25 0.03 0.00 0.51 0.00 0.00 43.02 40.14 2diy s PHE 97 CO -0.16 -0.49 -0.15 -0.06 0.70 0.00 0.00 175.22 175.06 2diy s PHE 98 N 2.15 2.43 -0.23 0.36 0.08 -0.80 -2.66 117.98 119.30 2diy s PHE 98 Ca 0.50 -1.44 -0.01 0.00 0.12 0.00 0.00 56.93 56.10 2diy s PHE 98 Cb -0.19 -1.72 0.02 0.00 -0.57 0.00 0.00 43.02 40.56 2diy s PHE 98 CO 0.18 -0.73 -0.10 0.15 -0.10 0.00 0.00 175.22 174.62 2diy s LYS 99 N 1.40 2.90 -1.40 0.44 -0.14 -0.74 -2.03 119.74 120.16 2diy s LYS 99 Ca 0.04 -0.92 -0.09 0.00 -1.36 0.00 0.00 55.97 53.63 2diy s LYS 99 Cb -0.14 -2.88 0.04 0.00 -1.68 0.00 0.00 37.83 33.17 2diy s LYS 99 CO -0.11 -0.34 1.05 -1.71 -0.76 0.00 0.00 175.35 173.48 2diy n ASN 100 N 4.66 -4.89 -2.81 2.83 5.15 -0.01 -1.55 115.26 118.64 2diy n ASN 100 Ca -0.18 -0.66 -0.19 0.00 -0.60 0.00 0.00 54.58 52.95 2diy n ASN 100 Cb 0.48 -4.53 0.05 0.00 -0.53 0.00 0.00 39.78 35.25 2diy n ASN 100 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2diy n SER 101 N -2.97 -5.47 -3.32 1.20 7.64 -1.26 -5.00 113.62 104.44 2diy n SER 101 Ca -0.04 -0.35 -0.08 0.00 1.01 0.00 0.00 58.87 59.41 2diy n SER 101 Cb 0.57 -4.18 -0.07 0.00 -1.01 0.00 0.00 64.21 59.52 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 -5.83 0.38 -0.02 1.43 -0.21 -0.60 -5.12 119.66 109.70 2diy s GLN 102 Ca 0.38 0.47 -0.33 0.00 0.02 0.00 0.00 55.36 55.91 2diy s GLN 102 Cb -0.17 -0.35 -0.11 0.00 1.00 0.00 0.00 33.01 33.38 2diy s GLN 102 CO 0.47 -0.74 1.87 1.17 -2.12 0.00 0.00 175.29 175.95 2diy n LYS 103 N 5.37 2.39 -0.02 2.91 4.81 -1.26 -1.79 118.16 130.56 2diy n LYS 103 Ca -0.02 0.87 -0.01 0.00 -0.87 0.00 0.00 58.31 58.28 2diy n LYS 103 Cb 0.50 -2.74 -0.05 0.00 0.02 0.00 0.00 35.03 32.76 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 5.05 0.28 -4.17 3.15 -5.35 -1.09 -4.93 119.36 112.30 2diy n ILE 104 Ca 0.21 -0.23 -0.11 0.00 -0.27 0.00 0.00 62.75 62.35 2diy n ILE 104 Cb 0.33 -0.38 -0.10 0.00 -1.74 0.00 0.00 39.64 37.75 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 -3.42 0.21 -0.28 7.28 2.15 -1.24 -5.07 116.67 116.30 2diy s ASP 105 Ca -0.03 -1.30 -0.24 0.00 0.43 0.00 0.00 52.55 51.41 2diy s ASP 105 Cb 0.03 0.35 0.09 0.00 -0.30 0.00 0.00 42.92 43.09 2diy s ASP 105 CO 0.28 -0.80 0.83 -0.60 -0.17 0.00 0.00 175.17 174.71 2diy s ARG 106 N -4.11 0.70 -0.09 4.34 3.52 -1.26 -1.97 118.95 120.08 2diy s ARG 106 Ca 0.32 0.87 0.02 0.00 -0.13 0.00 0.00 55.73 56.81 2diy s ARG 106 Cb 0.07 0.33 0.01 0.00 -1.56 0.00 0.00 34.95 33.80 2diy s ARG 106 CO 0.08 -0.09 -0.14 -1.17 -0.81 0.00 0.00 175.30 173.17 2diy s LEU 107 N 0.44 1.66 -0.08 -0.88 0.20 -0.83 -5.00 118.68 114.19 2diy s LEU 107 Ca 0.00 -0.37 0.03 0.00 0.69 0.00 0.00 54.13 54.48 2diy s LEU 107 Cb -0.05 -0.98 -0.02 0.00 -0.43 0.00 0.00 46.19 44.71 2diy s LEU 107 CO -0.03 0.02 -0.17 1.51 -0.29 0.00 0.00 176.35 177.38 2diy s ASP 108 N 0.89 3.73 0.00 3.68 1.47 -1.26 0.21 116.67 125.38 2diy s ASP 108 Ca -0.09 -0.33 0.00 0.00 1.18 0.00 0.00 52.55 53.30 2diy s ASP 108 Cb -0.15 -1.09 0.00 0.00 -0.34 0.00 0.00 42.92 41.34 2diy s ASP 108 CO 0.01 0.26 0.00 0.61 0.68 0.00 0.00 175.17 176.72 2diy n GLY 109 N 2.88 1.96 3.56 2.12 0.00 -0.96 -4.87 105.19 109.88 2diy n GLY 109 Ca -0.18 -1.59 -0.26 0.00 0.00 0.00 0.00 46.02 43.99 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 -1.24 1.31 -0.24 4.61 0.00 -1.26 -4.84 121.76 120.10 2diy s ALA 110 Ca 0.00 -0.56 0.02 0.00 0.00 0.00 0.00 51.96 51.42 2diy s ALA 110 Cb 0.00 -4.46 0.06 0.00 0.00 0.00 0.00 23.12 18.71 2diy s ALA 110 CO 0.00 -5.04 -0.10 -1.01 0.00 0.00 0.00 175.76 169.61 2diy s HIS 111 N 12.70 2.83 -0.02 0.00 4.02 -1.26 -5.02 115.29 128.54 2diy s HIS 111 Ca 0.89 -1.99 -0.20 0.00 1.02 0.00 0.00 55.06 54.78 2diy s HIS 111 Cb -0.14 -1.77 -0.12 0.00 -1.02 0.00 0.00 32.58 29.54 2diy s HIS 111 CO 0.15 -0.82 0.85 0.00 1.02 0.00 0.00 174.74 175.94 2diy h ALA 112 N 7.87 -0.64 0.02 -1.40 0.00 -1.99 -2.87 119.26 120.25 2diy h ALA 112 Ca -0.21 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 2diy h ALA 112 Cb 1.06 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2diy h ALA 112 CO 0.46 -0.62 -0.01 -1.00 0.00 0.00 0.00 179.25 178.08 2diy h PRO 113 N -1.13 -0.03 -0.78 0.00 0.13 -2.01 -3.17 132.00 125.01 2diy h PRO 113 Ca -0.07 0.00 0.18 0.00 -0.87 0.00 0.00 66.00 65.24 2diy h PRO 113 Cb 0.54 0.01 -0.12 0.00 0.13 0.00 0.00 31.00 31.56 2diy h PRO 113 CO 0.11 0.45 0.22 1.49 -0.23 0.00 0.00 178.00 180.04 2diy h GLU 114 N -0.52 0.29 0.35 0.86 4.57 -1.99 -1.70 114.58 116.44 2diy h GLU 114 Ca -0.00 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2diy h GLU 114 Cb 0.49 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.99 2diy h GLU 114 CO 0.01 0.19 -0.42 1.25 -1.18 0.00 0.00 179.01 178.85 2diy h LEU 115 N 0.30 -1.18 -0.22 1.64 5.85 -1.53 -2.81 115.31 117.35 2diy h LEU 115 Ca 0.45 0.11 0.03 0.00 0.84 0.00 0.00 57.88 59.31 2diy h LEU 115 Cb 0.80 0.41 -0.05 0.00 0.37 0.00 0.00 40.66 42.19 2diy h LEU 115 CO -0.53 -0.56 -0.35 0.74 -0.34 0.00 0.00 178.44 177.41 2diy h THR 116 N -0.82 0.00 -0.64 1.05 2.02 -1.30 0.85 112.91 114.08 2diy h THR 116 Ca -0.03 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.21 2diy h THR 116 Cb 0.75 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 67.08 2diy h THR 116 CO -0.11 0.00 -0.38 0.29 0.37 0.00 0.00 175.52 175.70 2diy n LYS 117 N -4.37 -0.28 0.02 6.66 5.02 -0.94 -0.10 118.16 124.18 2diy n LYS 117 Ca -0.03 1.12 -0.10 0.00 -2.02 0.00 0.00 58.31 57.29 2diy n LYS 117 Cb 0.22 -1.66 -0.04 0.00 -0.02 0.00 0.00 35.03 33.53 2diy n LYS 117 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2diy h LYS 118 N 0.00 -0.20 -0.03 1.97 1.57 -1.17 0.27 116.57 118.98 2diy h LYS 118 Ca 0.10 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.91 2diy h LYS 118 Cb 0.26 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.58 2diy h LYS 118 CO -0.60 -0.13 -0.30 0.28 -0.57 0.00 0.00 179.45 178.13 2diy h VAL 119 N -0.20 0.00 -0.08 0.50 2.07 0.20 0.95 116.25 119.68 2diy h VAL 119 Ca 0.08 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.63 2diy h VAL 119 Cb 0.31 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.05 2diy h VAL 119 CO -0.21 0.00 -0.15 1.56 0.02 0.00 0.00 177.57 178.80 2diy h GLN 120 N -0.36 -0.20 -0.57 1.57 1.08 -0.47 0.36 115.11 116.52 2diy h GLN 120 Ca 0.01 0.01 0.10 0.00 -1.45 0.00 0.00 58.65 57.33 2diy h GLN 120 Cb 0.39 0.05 -0.11 0.00 -0.05 0.00 0.00 27.48 27.76 2diy h GLN 120 CO -0.22 -0.13 -0.33 -0.09 -0.95 0.00 0.00 178.83 177.11 2diy h ARG 121 N -0.21 -0.16 0.00 1.46 2.43 -0.15 0.39 114.38 118.14 2diy h ARG 121 Ca 0.08 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.20 2diy h ARG 121 Cb 0.31 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 2diy h ARG 121 CO -0.20 -0.11 -0.26 0.45 -1.51 0.00 0.00 179.97 178.35 2diy h HIS 122 N -0.17 0.00 -0.25 2.20 3.86 -0.46 -2.77 115.15 117.57 2diy h HIS 122 Ca 0.23 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.40 2diy h HIS 122 Cb 0.55 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.99 2diy h HIS 122 CO -0.62 0.26 0.05 0.00 0.86 0.00 0.00 177.93 178.47 2diy n ALA 123 N -2.24 3.15 -1.81 2.45 0.00 0.13 -4.20 120.51 117.99 2diy n ALA 123 Ca 0.00 -0.79 -0.32 0.00 0.00 0.00 0.00 53.44 52.33 2diy n ALA 123 Cb 0.45 -1.07 0.04 0.00 0.00 0.00 0.00 19.45 18.87 2diy n ALA 123 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2diy n SER 124 N 0.16 6.55 -4.65 0.00 2.88 -0.63 -4.95 113.62 112.99 2diy n SER 124 Ca 0.13 -3.78 -0.31 0.00 -1.33 0.00 0.00 58.87 53.58 2diy n SER 124 Cb 0.67 -0.77 -0.09 0.00 -0.75 0.00 0.00 64.21 63.28 2diy n SER 124 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2diy s SER 125 N -2.34 4.86 1.87 -3.46 0.15 -1.26 -4.96 113.70 108.57 2diy s SER 125 Ca 0.56 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 57.02 2diy s SER 125 Cb 0.45 -1.13 0.00 0.00 -1.71 0.00 0.00 66.02 63.63 2diy s SER 125 CO -0.12 0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.13 2diy n GLY 126 N 0.82 1.84 3.77 9.45 0.00 -1.26 -4.73 105.19 115.08 2diy n GLY 126 Ca -0.12 0.28 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 2diy n GLY 126 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2diy s PRO 127 N 0.00 3.08 -0.22 1.61 0.04 -1.26 -5.05 135.00 133.21 2diy s PRO 127 Ca 0.00 1.50 -0.00 0.00 0.04 0.00 0.00 61.00 62.54 2diy s PRO 127 Cb 0.00 -1.98 0.06 0.00 0.04 0.00 0.00 34.50 32.62 2diy s PRO 127 CO 0.00 -1.04 -0.03 -1.54 0.04 0.00 0.00 177.00 174.43 2diy s SER 128 N -2.18 3.46 -0.30 6.66 1.04 -1.26 -4.90 113.70 116.23 2diy s SER 128 Ca 0.70 -1.02 -0.09 0.00 0.48 0.00 0.00 55.95 56.03 2diy s SER 128 Cb -0.22 -0.98 0.17 0.00 0.10 0.00 0.00 66.02 65.09 2diy s SER 128 CO 0.34 -0.25 0.80 -0.94 0.98 0.00 0.00 173.24 174.17 2diy s SER 129 N 1.56 -0.94 0.00 7.02 1.04 -1.26 -5.22 113.70 115.90 2diy s SER 129 Ca -0.04 0.85 0.00 0.00 0.48 0.00 0.00 55.95 57.24 2diy s SER 129 Cb -0.18 1.89 0.00 0.00 0.10 0.00 0.00 66.02 67.84 2diy s SER 129 CO -0.07 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.58