#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2diy s SER 2 N 0.00 6.98 -0.28 1.61 1.04 -1.26 -4.92 113.70 116.87 2diy s SER 2 Ca 0.00 -2.84 -0.26 0.00 0.48 0.00 0.00 55.95 53.33 2diy s SER 2 Cb 0.00 -2.34 0.16 0.00 0.10 0.00 0.00 66.02 63.94 2diy s SER 2 CO 0.00 -0.72 1.23 -0.55 0.98 0.00 0.00 173.24 174.18 2diy s SER 3 N 2.67 -0.24 0.30 7.02 0.15 -1.26 -5.18 113.70 117.16 2diy s SER 3 Ca 0.35 0.42 0.11 0.00 0.70 0.00 0.00 55.95 57.53 2diy s SER 3 Cb -0.05 0.42 -0.06 0.00 -1.71 0.00 0.00 66.02 64.62 2diy s SER 3 CO -0.05 -0.10 -0.16 -0.83 1.20 0.00 0.00 173.24 173.30 2diy s GLY 4 N -0.11 1.99 0.21 9.45 0.00 -1.26 -5.16 107.32 112.44 2diy s GLY 4 Ca 0.05 -1.95 -0.03 0.00 0.00 0.00 0.00 44.72 42.79 2diy s GLY 4 CO -0.10 -1.99 0.19 -0.56 0.00 0.00 0.00 173.10 170.65 2diy s SER 5 N -3.54 0.11 -0.27 1.64 0.01 -1.26 -5.16 113.70 105.23 2diy s SER 5 Ca 0.31 -1.30 -0.09 0.00 1.31 0.00 0.00 55.95 56.17 2diy s SER 5 Cb -0.02 0.41 0.11 0.00 0.21 0.00 0.00 66.02 66.74 2diy s SER 5 CO 0.15 -0.89 0.58 -0.44 0.41 0.00 0.00 173.24 173.05 2diy s SER 6 N -3.13 -0.87 0.00 2.44 0.01 -1.26 -5.16 113.70 105.73 2diy s SER 6 Ca 0.36 1.39 0.00 0.00 1.31 0.00 0.00 55.95 59.01 2diy s SER 6 Cb 0.06 1.96 0.00 0.00 0.21 0.00 0.00 66.02 68.24 2diy s SER 6 CO 0.11 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.15 2diy n GLY 7 N 5.36 2.51 3.46 3.44 0.00 -1.26 -5.19 105.19 113.51 2diy n GLY 7 Ca -0.12 -0.85 -0.22 0.00 0.00 0.00 0.00 46.02 44.83 2diy n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2diy s MET 8 N -0.21 1.66 -0.17 1.61 0.00 -1.26 -5.13 119.30 115.79 2diy s MET 8 Ca 0.00 -1.91 -0.15 0.00 0.00 0.00 0.00 55.69 53.64 2diy s MET 8 Cb 0.00 -1.01 -0.04 0.00 0.00 0.00 0.00 34.83 33.77 2diy s MET 8 CO 0.00 -0.12 0.33 0.00 0.00 0.00 0.00 175.02 175.23 2diy s ALA 9 N -3.17 3.57 -0.59 3.16 0.00 -1.26 -5.04 121.76 118.43 2diy s ALA 9 Ca 0.35 -0.48 -0.18 0.00 0.00 0.00 0.00 51.96 51.64 2diy s ALA 9 Cb 0.08 -2.48 0.11 0.00 0.00 0.00 0.00 23.12 20.83 2diy s ALA 9 CO 0.15 -0.04 0.68 0.00 0.00 0.00 0.00 175.76 176.54 2diy s ALA 10 N 0.75 3.45 -0.00 0.00 0.00 -1.26 -4.95 121.76 119.75 2diy s ALA 10 Ca 0.17 -2.28 -0.02 0.00 0.00 0.00 0.00 51.96 49.83 2diy s ALA 10 Cb -0.14 -3.49 -0.01 0.00 0.00 0.00 0.00 23.12 19.48 2diy s ALA 10 CO 0.05 -2.31 0.65 0.78 0.00 0.00 0.00 175.76 174.94 2diy h GLY 11 N 9.81 -0.07 -6.41 0.00 0.00 -2.09 -3.46 103.07 100.85 2diy h GLY 11 Ca -0.29 0.03 -0.50 0.00 0.00 0.00 0.00 47.33 46.57 2diy h GLY 11 CO 1.09 -0.03 -0.75 0.00 0.00 0.00 0.00 176.54 176.86 2diy n ALA 12 N -2.06 -1.20 -1.65 3.60 0.00 -1.26 -4.75 120.51 113.20 2diy n ALA 12 Ca -0.01 0.02 -0.57 0.00 0.00 0.00 0.00 53.44 52.88 2diy n ALA 12 Cb 0.03 -3.31 -0.08 0.00 0.00 0.00 0.00 19.45 16.09 2diy n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2diy n ALA 13 N -4.15 -0.02 -1.64 0.00 0.00 -1.26 -4.75 120.51 108.70 2diy n ALA 13 Ca 0.06 0.31 -0.58 0.00 0.00 0.00 0.00 53.44 53.23 2diy n ALA 13 Cb 0.50 -2.25 -0.08 0.00 0.00 0.00 0.00 19.45 17.62 2diy n ALA 13 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2diy n GLU 14 N 5.90 0.92 -2.60 0.00 2.13 -1.26 -4.88 120.64 120.85 2diy n GLU 14 Ca 0.31 0.32 -0.42 0.00 0.66 0.00 0.00 57.16 58.03 2diy n GLU 14 Cb 0.12 -2.05 -0.03 0.00 0.27 0.00 0.00 31.44 29.76 2diy n GLU 14 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2diy s ALA 15 N 4.31 3.38 -0.11 4.31 0.00 -1.26 -5.00 121.76 127.39 2diy s ALA 15 Ca 1.03 0.53 -0.32 0.00 0.00 0.00 0.00 51.96 53.20 2diy s ALA 15 Cb -1.12 -3.44 0.12 0.00 0.00 0.00 0.00 23.12 18.68 2diy s ALA 15 CO 0.65 -0.55 1.05 0.00 0.00 0.00 0.00 175.76 176.90 2diy s ALA 16 N 1.76 -1.95 -0.00 0.00 0.00 -1.26 -5.15 121.76 115.16 2diy s ALA 16 Ca 0.52 1.34 -0.15 0.00 0.00 0.00 0.00 51.96 53.67 2diy s ALA 16 Cb -0.22 0.02 -0.06 0.00 0.00 0.00 0.00 23.12 22.87 2diy s ALA 16 CO 0.22 -0.60 0.41 0.08 0.00 0.00 0.00 175.76 175.88 2diy s VAL 17 N -2.56 5.03 -0.40 0.00 1.01 -1.26 -4.98 120.40 117.23 2diy s VAL 17 Ca 0.06 0.85 -0.01 0.00 0.00 0.00 0.00 61.98 62.88 2diy s VAL 17 Cb -0.01 -3.72 0.27 0.00 0.00 0.00 0.00 36.38 32.92 2diy s VAL 17 CO -0.06 0.57 2.02 0.00 0.00 0.00 0.00 175.10 177.63 2diy n ALA 18 N 1.88 5.39 -2.52 5.51 0.00 -1.26 -4.89 120.51 124.62 2diy n ALA 18 Ca -0.14 -2.07 -0.24 0.00 0.00 0.00 0.00 53.44 50.99 2diy n ALA 18 Cb 0.52 -1.46 -0.13 0.00 0.00 0.00 0.00 19.45 18.38 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 -2.28 1.77 0.05 0.00 0.00 -1.26 -1.96 121.76 118.08 2diy s ALA 19 Ca 0.39 -1.16 -0.30 0.00 0.00 0.00 0.00 51.96 50.88 2diy s ALA 19 Cb 0.30 -0.28 -0.05 0.00 0.00 0.00 0.00 23.12 23.09 2diy s ALA 19 CO -0.01 0.37 1.08 0.54 0.00 0.00 0.00 175.76 177.75 2diy s VAL 20 N -1.01 4.39 0.26 0.00 0.11 -1.26 -4.67 120.40 118.23 2diy s VAL 20 Ca 0.07 1.77 -0.00 0.00 -2.93 0.00 0.00 61.98 60.88 2diy s VAL 20 Cb -0.09 -4.13 -0.04 0.00 -1.53 0.00 0.00 36.38 30.58 2diy s VAL 20 CO 0.03 0.17 0.46 -1.61 -3.33 0.00 0.00 175.10 170.82 2diy s GLU 21 N 0.80 3.52 -0.07 1.54 0.41 0.35 -4.95 118.70 120.30 2diy s GLU 21 Ca 0.54 -0.33 -0.01 0.00 -0.41 0.00 0.00 54.97 54.77 2diy s GLU 21 Cb -0.26 -2.76 -0.03 0.00 -1.78 0.00 0.00 34.13 29.30 2diy s GLU 21 CO 0.29 0.30 -0.02 -1.83 -0.49 0.00 0.00 175.26 173.51 2diy s GLU 22 N -3.72 2.89 -0.22 1.61 1.03 -1.26 -1.10 118.70 117.92 2diy s GLU 22 Ca 0.39 -0.47 -0.01 0.00 0.03 0.00 0.00 54.97 54.91 2diy s GLU 22 Cb -0.10 -2.71 0.02 0.00 -0.80 0.00 0.00 34.13 30.53 2diy s GLU 22 CO 0.31 0.69 -0.10 0.08 -1.33 0.00 0.00 175.26 174.91 2diy s VAL 23 N -0.87 2.75 -0.16 1.83 1.01 -0.75 -4.92 120.40 119.28 2diy s VAL 23 Ca 0.13 -0.89 0.17 0.00 0.00 0.00 0.00 61.98 61.40 2diy s VAL 23 Cb -0.11 -2.30 0.37 0.00 0.00 0.00 0.00 36.38 34.33 2diy s VAL 23 CO 0.02 0.34 1.24 0.61 0.00 0.00 0.00 175.10 177.31 2diy n GLY 24 N 4.68 4.73 3.63 4.51 0.00 -1.26 -4.18 105.19 117.31 2diy n GLY 24 Ca -0.18 -1.14 -0.11 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.69 -0.64 0.42 1.61 1.04 -1.26 -4.85 113.70 107.33 2diy s SER 25 Ca 0.36 1.21 0.08 0.00 0.48 0.00 0.00 55.95 58.08 2diy s SER 25 Cb 0.31 1.23 0.90 0.00 0.10 0.00 0.00 66.02 68.56 2diy s SER 25 CO 0.03 -0.21 2.06 0.00 0.98 0.00 0.00 173.24 176.10 2diy h ALA 26 N 4.91 1.75 -1.00 5.32 0.00 -1.94 -2.22 119.26 126.08 2diy h ALA 26 Ca -0.29 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.61 2diy h ALA 26 Cb 1.17 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.76 2diy h ALA 26 CO 0.09 0.22 0.66 0.78 0.00 0.00 0.00 179.25 181.00 2diy h GLY 27 N 0.51 1.40 0.78 0.00 0.00 -1.99 -1.75 103.07 102.03 2diy h GLY 27 Ca 0.15 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 2diy h GLY 27 CO -0.03 0.52 -0.09 -1.61 0.00 0.00 0.00 176.54 175.33 2diy h GLN 28 N 1.35 -0.24 0.37 4.80 4.15 -1.82 -1.60 115.11 122.13 2diy h GLN 28 Ca 0.36 0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.79 2diy h GLN 28 Cb -0.15 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.57 2diy h GLN 28 CO -0.08 0.01 -0.42 0.35 -1.93 0.00 0.00 178.83 176.76 2diy h PHE 29 N -0.47 -1.18 -1.00 3.99 3.57 -1.40 0.13 116.94 120.58 2diy h PHE 29 Ca -0.03 0.01 0.23 0.00 3.53 0.00 0.00 57.97 61.72 2diy h PHE 29 Cb 0.36 0.47 -0.09 0.00 2.79 0.00 0.00 35.95 39.47 2diy h PHE 29 CO -0.00 -0.55 0.63 0.93 -2.23 0.00 0.00 178.31 177.09 2diy h GLU 30 N -0.81 0.50 0.49 1.11 5.08 -1.39 -0.82 114.58 118.74 2diy h GLU 30 Ca -0.05 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 2diy h GLU 30 Cb 0.71 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.86 2diy h GLU 30 CO -0.08 0.33 -0.24 1.49 -1.00 0.00 0.00 179.01 179.51 2diy h GLU 31 N 0.51 -0.63 -0.75 2.33 4.81 -0.54 -3.19 114.58 117.12 2diy h GLU 31 Ca 0.57 0.04 0.15 0.00 -0.13 0.00 0.00 59.36 59.99 2diy h GLU 31 Cb 1.25 0.14 -0.10 0.00 0.63 0.00 0.00 28.75 30.67 2diy h GLU 31 CO -0.31 -0.33 0.27 1.25 -0.73 0.00 0.00 179.01 179.17 2diy h LEU 32 N -0.96 0.22 -0.76 1.64 5.85 0.12 -1.16 115.31 120.25 2diy h LEU 32 Ca -0.07 0.12 0.31 0.00 0.84 0.00 0.00 57.88 59.08 2diy h LEU 32 Cb 0.60 0.11 -0.14 0.00 0.37 0.00 0.00 40.66 41.60 2diy h LEU 32 CO 0.11 0.07 0.37 0.18 -0.34 0.00 0.00 178.44 178.83 2diy n LEU 33 N -5.04 0.23 0.05 2.25 4.77 -0.40 0.23 117.00 119.10 2diy n LEU 33 Ca 0.14 1.27 -0.20 0.00 -0.03 0.00 0.00 56.01 57.19 2diy n LEU 33 Cb 0.43 -0.60 -0.12 0.00 -2.33 0.00 0.00 43.42 40.79 2diy n LEU 33 CO 0.17 -1.40 0.07 0.08 -1.33 0.00 0.00 177.39 174.98 2diy h ARG 34 N 0.00 0.55 0.48 3.23 0.11 -1.33 -2.33 114.38 115.09 2diy h ARG 34 Ca 0.63 -0.67 -0.02 0.00 0.10 0.00 0.00 59.98 60.01 2diy h ARG 34 Cb 1.64 0.21 0.00 0.00 1.11 0.00 0.00 29.97 32.93 2diy h ARG 34 CO -0.60 1.28 -0.23 -0.07 0.10 0.00 0.00 179.97 180.45 2diy h LEU 35 N 0.13 -0.54 -3.77 0.08 3.38 0.30 -3.10 115.31 111.78 2diy h LEU 35 Ca -0.14 -0.06 -0.52 0.00 0.09 0.00 0.00 57.88 57.25 2diy h LEU 35 Cb 1.66 0.14 -0.23 0.00 0.09 0.00 0.00 40.66 42.33 2diy h LEU 35 CO 0.19 -0.25 0.68 0.29 0.09 0.00 0.00 178.44 179.43 2diy n LYS 36 N -5.29 2.30 -0.02 1.13 4.76 0.12 -4.50 118.16 116.66 2diy n LYS 36 Ca -0.11 -2.54 -0.15 0.00 -2.87 0.00 0.00 58.31 52.63 2diy n LYS 36 Cb 0.30 -2.00 -0.11 0.00 -1.84 0.00 0.00 35.03 31.39 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 1.75 0.06 -0.65 7.82 0.00 -1.33 -3.31 119.26 123.61 2diy h ALA 37 Ca 0.47 -0.46 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 2diy h ALA 37 Cb 0.92 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 2diy h ALA 37 CO 1.22 0.13 0.08 0.87 0.00 0.00 0.00 179.25 181.55 2diy h LYS 38 N -0.37 1.09 -7.73 0.00 6.56 -1.83 1.22 116.57 115.52 2diy h LYS 38 Ca -0.03 -0.31 -0.46 0.00 -1.06 0.00 0.00 60.65 58.80 2diy h LYS 38 Cb 1.01 -0.12 0.14 0.00 -0.57 0.00 0.00 32.23 32.68 2diy h LYS 38 CO 0.06 1.02 0.41 -1.54 -2.06 0.00 0.00 179.45 177.33 2diy s SER 39 N -6.50 3.70 -0.28 0.86 1.04 -1.24 -4.76 113.70 106.52 2diy s SER 39 Ca -0.12 0.46 -0.18 0.00 0.48 0.00 0.00 55.95 56.58 2diy s SER 39 Cb 0.14 -0.69 -0.02 0.00 0.10 0.00 0.00 66.02 65.55 2diy s SER 39 CO 0.85 -2.38 0.54 -0.22 0.98 0.00 0.00 173.24 173.01 2diy s LEU 40 N -5.75 4.10 0.05 2.42 2.96 -1.26 -4.43 118.68 116.77 2diy s LEU 40 Ca 0.69 0.46 -0.03 0.00 -0.22 0.00 0.00 54.13 55.03 2diy s LEU 40 Cb -0.07 -2.69 -0.05 0.00 0.50 0.00 0.00 46.19 43.89 2diy s LEU 40 CO 0.51 -0.34 0.25 -0.22 -1.32 0.00 0.00 176.35 175.23 2diy s LEU 41 N 2.38 4.34 -0.23 -0.68 2.96 -1.01 -1.53 118.68 124.91 2diy s LEU 41 Ca 0.22 0.42 -0.02 0.00 -0.22 0.00 0.00 54.13 54.53 2diy s LEU 41 Cb -0.15 -2.90 0.07 0.00 0.50 0.00 0.00 46.19 43.70 2diy s LEU 41 CO 0.10 0.18 0.03 -0.69 -1.32 0.00 0.00 176.35 174.65 2diy s VAL 42 N -1.46 0.83 -0.55 1.68 1.01 -0.65 -2.59 120.40 118.68 2diy s VAL 42 Ca 0.33 -0.90 -0.17 0.00 0.00 0.00 0.00 61.98 61.24 2diy s VAL 42 Cb -0.13 -1.35 0.11 0.00 0.00 0.00 0.00 36.38 35.01 2diy s VAL 42 CO 0.23 -0.29 0.57 -0.69 0.00 0.00 0.00 175.10 174.91 2diy s VAL 43 N 1.70 5.06 -0.17 2.92 1.01 -0.91 -0.05 120.40 129.95 2diy s VAL 43 Ca 0.00 -1.22 -0.15 0.00 0.00 0.00 0.00 61.98 60.62 2diy s VAL 43 Cb -0.18 -4.37 -0.04 0.00 0.00 0.00 0.00 36.38 31.79 2diy s VAL 43 CO -0.11 -0.93 0.33 -2.28 0.00 0.00 0.00 175.10 172.11 2diy s HIS 44 N 2.05 3.44 -0.40 5.22 5.65 -0.59 -1.11 115.29 129.55 2diy s HIS 44 Ca 0.07 0.61 -0.22 0.00 0.25 0.00 0.00 55.06 55.77 2diy s HIS 44 Cb -0.27 -2.40 0.02 0.00 -1.18 0.00 0.00 32.58 28.75 2diy s HIS 44 CO 0.05 0.17 0.71 -0.06 -0.65 0.00 0.00 174.74 174.96 2diy s PHE 45 N 0.70 3.08 -0.04 3.88 0.40 0.46 -1.96 117.98 124.49 2diy s PHE 45 Ca 0.18 0.25 0.07 0.00 -0.60 0.00 0.00 56.93 56.83 2diy s PHE 45 Cb -0.14 -3.39 -0.01 0.00 0.51 0.00 0.00 43.02 39.99 2diy s PHE 45 CO 0.05 -0.81 -0.25 1.67 0.70 0.00 0.00 175.22 176.59 2diy s TRP 46 N 2.99 2.32 0.01 0.36 1.48 -0.99 -3.53 118.94 121.58 2diy s TRP 46 Ca 0.27 -0.59 0.04 0.00 -1.06 0.00 0.00 56.10 54.76 2diy s TRP 46 Cb -0.13 -1.51 -0.01 0.00 -1.16 0.00 0.00 33.47 30.65 2diy s TRP 46 CO 0.18 -0.14 -0.13 0.00 -4.06 0.00 0.00 176.95 172.81 2diy s ALA 47 N -0.33 1.05 -1.55 2.67 0.00 -1.26 -3.82 121.76 118.52 2diy s ALA 47 Ca 0.02 -0.65 0.15 0.00 0.00 0.00 0.00 51.96 51.48 2diy s ALA 47 Cb -0.12 -0.22 0.78 0.00 0.00 0.00 0.00 23.12 23.57 2diy s ALA 47 CO 0.02 0.23 1.39 -0.35 0.00 0.00 0.00 175.76 177.05 2diy n PRO 48 N 2.39 0.27 -0.16 0.00 -0.04 -1.26 -1.84 135.00 134.37 2diy n PRO 48 Ca -0.16 0.12 0.07 0.00 -0.04 0.00 0.00 63.50 63.49 2diy n PRO 48 Cb 0.55 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.67 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 -1.22 0.42 -4.35 0.54 4.27 -1.26 -4.92 117.44 110.91 2diy n TRP 49 Ca 0.08 -0.35 -0.30 0.00 -3.89 0.00 0.00 57.50 53.04 2diy n TRP 49 Cb 0.10 -0.01 -0.16 0.00 -1.36 0.00 0.00 31.31 29.88 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 -1.06 1.95 0.21 -1.67 0.00 -0.76 -5.02 121.76 115.41 2diy s ALA 50 Ca 0.26 -0.93 -0.03 0.00 0.00 0.00 0.00 51.96 51.27 2diy s ALA 50 Cb 0.15 -0.98 0.17 0.00 0.00 0.00 0.00 23.12 22.46 2diy s ALA 50 CO 0.20 -0.18 1.57 -1.00 0.00 0.00 0.00 175.76 176.34 2diy h PRO 51 N 7.63 0.60 -0.23 0.00 0.13 -1.91 -3.22 132.00 135.01 2diy h PRO 51 Ca -0.35 -0.32 0.01 0.00 -0.87 0.00 0.00 66.00 64.48 2diy h PRO 51 Cb 1.16 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 2diy h PRO 51 CO 0.53 0.91 0.11 1.96 -0.23 0.00 0.00 178.00 181.29 2diy h GLN 52 N 0.49 0.23 0.00 0.86 4.20 -1.94 -0.87 115.11 118.08 2diy h GLN 52 Ca 0.04 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.73 2diy h GLN 52 Cb 0.94 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.66 2diy h GLN 52 CO 0.08 0.15 0.28 0.00 -0.67 0.00 0.00 178.83 178.68 2diy h ALA 54 N 1.30 -0.96 -0.74 0.00 0.00 -1.26 -2.14 119.26 115.46 2diy h ALA 54 Ca 0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 2diy h ALA 54 Cb 0.56 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 2diy h ALA 54 CO 0.00 -0.91 0.36 -0.56 0.00 0.00 0.00 179.25 178.14 2diy h GLN 55 N -0.70 1.07 -0.66 0.00 3.07 -1.56 -2.76 115.11 113.58 2diy h GLN 55 Ca -0.06 -0.16 0.12 0.00 0.09 0.00 0.00 58.65 58.65 2diy h GLN 55 Cb 0.45 -0.19 -0.09 0.00 0.08 0.00 0.00 27.48 27.73 2diy h GLN 55 CO 0.10 0.83 0.19 0.52 0.09 0.00 0.00 178.83 180.56 2diy h MET 56 N 1.04 0.32 -0.50 0.06 2.86 -1.54 0.21 114.93 117.39 2diy h MET 56 Ca 0.26 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.89 2diy h MET 56 Cb 0.11 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.67 2diy h MET 56 CO -0.03 0.21 0.31 -0.97 1.06 0.00 0.00 176.91 177.49 2diy h ASN 57 N 0.33 0.51 -0.13 1.22 -1.24 -1.09 -2.26 115.58 112.92 2diy h ASN 57 Ca 0.35 -0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.35 2diy h ASN 57 Cb 0.53 -0.11 -0.00 0.00 0.73 0.00 0.00 38.32 39.47 2diy h ASN 57 CO -0.41 0.36 0.02 -0.33 -1.29 0.00 0.00 177.43 175.79 2diy h GLU 58 N 0.62 0.21 -0.59 6.67 5.08 -1.08 -2.76 114.58 122.72 2diy h GLU 58 Ca 0.20 -0.06 0.12 0.00 -1.00 0.00 0.00 59.36 58.62 2diy h GLU 58 Cb -0.01 -0.02 -0.11 0.00 0.50 0.00 0.00 28.75 29.11 2diy h GLU 58 CO -0.08 0.40 -0.08 0.28 -1.00 0.00 0.00 179.01 178.54 2diy h VAL 59 N -0.02 0.46 -0.87 3.13 2.07 -0.41 0.24 116.25 120.85 2diy h VAL 59 Ca 0.04 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.56 2diy h VAL 59 Cb 0.29 0.40 -0.05 0.00 -1.52 0.00 0.00 31.29 30.41 2diy h VAL 59 CO 0.00 0.01 0.57 0.24 0.02 0.00 0.00 177.57 178.41 2diy h MET 60 N 0.05 1.09 -0.81 1.57 2.86 -1.35 -2.65 114.93 115.71 2diy h MET 60 Ca 0.30 -0.07 0.16 0.00 -2.06 0.00 0.00 59.70 58.03 2diy h MET 60 Cb 0.47 -0.25 -0.15 0.00 0.06 0.00 0.00 31.60 31.73 2diy h MET 60 CO -0.56 0.72 -0.20 0.00 1.06 0.00 0.00 176.91 177.93 2diy h ALA 61 N 1.35 0.53 -0.15 6.32 0.00 -0.64 0.28 119.26 126.94 2diy h ALA 61 Ca 0.34 0.31 -0.03 0.00 0.00 0.00 0.00 54.91 55.53 2diy h ALA 61 Cb -0.05 0.62 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 2diy h ALA 61 CO -0.10 -0.41 -0.03 0.93 0.00 0.00 0.00 179.25 179.64 2diy h GLU 62 N -0.00 0.29 -0.80 0.00 4.39 -1.39 -3.10 114.58 113.96 2diy h GLU 62 Ca 0.39 -0.11 0.13 0.00 0.34 0.00 0.00 59.36 60.10 2diy h GLU 62 Cb 0.59 -0.02 -0.09 0.00 -0.10 0.00 0.00 28.75 29.14 2diy h GLU 62 CO -0.83 0.56 0.40 -0.07 -1.16 0.00 0.00 179.01 177.91 2diy h LEU 63 N -0.01 0.49 -1.24 1.33 3.38 -0.71 0.23 115.31 118.78 2diy h LEU 63 Ca 0.04 0.08 0.11 0.00 0.09 0.00 0.00 57.88 58.20 2diy h LEU 63 Cb 0.45 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.14 2diy h LEU 63 CO 0.01 0.23 0.57 0.00 0.09 0.00 0.00 178.44 179.35 2diy h ALA 64 N 1.51 1.70 -0.16 1.53 0.00 -0.47 0.25 119.26 123.62 2diy h ALA 64 Ca 0.42 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 55.18 2diy h ALA 64 Cb 0.55 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2diy h ALA 64 CO -0.33 0.11 -0.49 0.87 0.00 0.00 0.00 179.25 179.40 2diy h LYS 65 N 0.82 0.61 -0.52 0.00 1.57 -0.33 -3.26 116.57 115.47 2diy h LYS 65 Ca 0.42 -0.45 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 2diy h LYS 65 Cb 0.49 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 2diy h LYS 65 CO -0.18 1.07 0.07 1.49 -0.57 0.00 0.00 179.45 181.33 2diy h GLU 66 N 0.27 0.87 -4.10 3.15 4.57 -0.44 -3.38 114.58 115.53 2diy h GLU 66 Ca -0.02 -0.24 -0.68 0.00 -1.18 0.00 0.00 59.36 57.24 2diy h GLU 66 Cb 1.12 -0.10 -0.37 0.00 -0.16 0.00 0.00 28.75 29.24 2diy h GLU 66 CO 0.11 0.86 -0.53 -0.51 -1.18 0.00 0.00 179.01 177.75 2diy s LEU 67 N -9.49 5.04 0.08 1.64 1.43 0.79 -4.95 118.68 113.21 2diy s LEU 67 Ca -0.13 -2.43 -0.17 0.00 -1.03 0.00 0.00 54.13 50.37 2diy s LEU 67 Cb 0.12 -1.78 -0.10 0.00 0.03 0.00 0.00 46.19 44.46 2diy s LEU 67 CO 0.81 -0.42 1.40 1.55 0.23 0.00 0.00 176.35 179.92 2diy h PRO 68 N 7.46 0.58 -0.20 1.29 0.13 -1.74 -3.02 132.00 136.50 2diy h PRO 68 Ca -0.07 -0.31 0.06 0.00 -0.87 0.00 0.00 66.00 64.81 2diy h PRO 68 Cb 0.99 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.12 2diy h PRO 68 CO 0.67 0.90 0.20 -0.56 -0.23 0.00 0.00 178.00 178.98 2diy h GLN 69 N 0.29 0.00 -5.98 0.86 -0.00 -1.91 -3.40 115.11 104.96 2diy h GLN 69 Ca 0.04 0.00 -0.57 0.00 -0.00 0.00 0.00 58.65 58.12 2diy h GLN 69 Cb 0.79 0.00 -0.06 0.00 -0.00 0.00 0.00 27.48 28.21 2diy h GLN 69 CO 0.06 0.00 0.28 0.08 -0.00 0.00 0.00 178.83 179.25 2diy s VAL 70 N -4.72 4.94 -0.53 1.86 1.01 -1.14 -4.12 120.40 117.69 2diy s VAL 70 Ca -0.05 1.58 -0.16 0.00 0.00 0.00 0.00 61.98 63.35 2diy s VAL 70 Cb 0.16 -4.11 0.11 0.00 0.00 0.00 0.00 36.38 32.54 2diy s VAL 70 CO 0.58 0.10 0.50 -0.44 0.00 0.00 0.00 175.10 175.85 2diy s SER 71 N 1.05 6.18 -0.35 3.32 0.01 -0.58 -4.91 113.70 118.42 2diy s SER 71 Ca 0.38 -1.63 -0.24 0.00 1.31 0.00 0.00 55.95 55.77 2diy s SER 71 Cb -0.17 -2.22 0.01 0.00 0.21 0.00 0.00 66.02 63.85 2diy s SER 71 CO 0.15 -0.84 0.84 -0.36 0.41 0.00 0.00 173.24 173.44 2diy s PHE 72 N 1.75 3.12 -0.16 2.43 0.40 -1.26 -1.64 117.98 122.61 2diy s PHE 72 Ca 0.04 0.71 0.01 0.00 -0.60 0.00 0.00 56.93 57.08 2diy s PHE 72 Cb -0.28 -3.46 0.00 0.00 0.51 0.00 0.00 43.02 39.80 2diy s PHE 72 CO 0.04 -0.73 -0.17 0.14 0.70 0.00 0.00 175.22 175.21 2diy s VAL 73 N 3.22 2.50 -0.22 -0.44 -7.23 0.93 -0.50 120.40 118.67 2diy s VAL 73 Ca 0.34 -0.82 -0.07 0.00 -1.81 0.00 0.00 61.98 59.63 2diy s VAL 73 Cb -0.13 -2.05 -0.03 0.00 0.56 0.00 0.00 36.38 34.73 2diy s VAL 73 CO 0.16 0.52 0.05 -1.59 -0.31 0.00 0.00 175.10 173.94 2diy s LYS 74 N 0.92 3.73 0.04 4.82 -2.85 -0.26 -1.54 119.74 124.60 2diy s LYS 74 Ca -0.04 -0.45 0.09 0.00 -1.00 0.00 0.00 55.97 54.57 2diy s LYS 74 Cb -0.15 -3.23 -0.03 0.00 -2.06 0.00 0.00 37.83 32.36 2diy s LYS 74 CO -0.02 -0.01 -0.24 -1.17 0.10 0.00 0.00 175.35 174.01 2diy s LEU 75 N 1.11 2.16 -0.38 2.77 0.20 -0.83 -1.81 118.68 121.90 2diy s LEU 75 Ca 0.04 -0.56 -0.20 0.00 0.69 0.00 0.00 54.13 54.10 2diy s LEU 75 Cb -0.14 -1.18 0.01 0.00 -0.43 0.00 0.00 46.19 44.45 2diy s LEU 75 CO 0.03 0.23 0.63 -0.70 -0.29 0.00 0.00 176.35 176.25 2diy s GLU 76 N -1.18 3.55 0.23 1.98 2.12 -1.26 -2.34 118.70 121.80 2diy s GLU 76 Ca 0.10 -0.09 -0.14 0.00 0.36 0.00 0.00 54.97 55.20 2diy s GLU 76 Cb -0.10 -3.85 0.28 0.00 0.26 0.00 0.00 34.13 30.72 2diy s GLU 76 CO 0.02 -0.82 1.58 0.00 -0.54 0.00 0.00 175.26 175.50 2diy h ALA 77 N 8.60 0.32 0.00 6.30 0.00 -1.86 0.84 119.26 133.47 2diy h ALA 77 Ca -0.26 0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 2diy h ALA 77 Cb 1.11 0.74 -0.01 0.00 0.00 0.00 0.00 17.79 19.63 2diy h ALA 77 CO 0.85 -0.51 -0.39 0.93 0.00 0.00 0.00 179.25 180.13 2diy h GLU 78 N -0.04 0.00 -0.18 0.00 5.08 -1.92 -3.09 114.58 114.42 2diy h GLU 78 Ca 0.35 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.62 2diy h GLU 78 Cb 0.59 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 2diy h GLU 78 CO -0.84 0.39 -0.23 0.78 -1.00 0.00 0.00 179.01 178.11 2diy h GLY 79 N 1.64 0.52 -6.92 -3.84 0.00 0.13 -3.39 103.07 91.22 2diy h GLY 79 Ca -0.00 -0.56 -0.61 0.00 0.00 0.00 0.00 47.33 46.15 2diy h GLY 79 CO 0.05 0.51 -0.72 0.14 0.00 0.00 0.00 176.54 176.52 2diy s VAL 80 N -4.22 1.84 0.21 4.60 1.01 0.86 -4.91 120.40 119.80 2diy s VAL 80 Ca -0.13 -3.31 0.25 0.00 0.00 0.00 0.00 61.98 58.78 2diy s VAL 80 Cb 0.06 -2.25 0.25 0.00 0.00 0.00 0.00 36.38 34.45 2diy s VAL 80 CO 0.78 -1.01 1.89 1.55 0.00 0.00 0.00 175.10 178.32 2diy h PRO 81 N 5.94 0.00 -0.22 2.72 0.13 -1.74 -3.13 132.00 135.70 2diy h PRO 81 Ca 0.11 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 65.30 2diy h PRO 81 Cb 0.85 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.91 2diy h PRO 81 CO 0.57 0.19 -0.29 1.49 -0.23 0.00 0.00 178.00 179.73 2diy h GLU 82 N 0.00 -0.30 -0.04 0.86 4.57 -1.92 0.96 114.58 118.71 2diy h GLU 82 Ca -0.00 0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.17 2diy h GLU 82 Cb 0.64 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.30 2diy h GLU 82 CO 0.03 -0.20 -0.10 0.28 -1.18 0.00 0.00 179.01 177.84 2diy h VAL 83 N -0.31 1.44 -1.00 0.32 2.07 -1.96 -3.13 116.25 113.67 2diy h VAL 83 Ca 0.12 -1.45 0.26 0.00 0.82 0.00 0.00 66.70 66.45 2diy h VAL 83 Cb 0.51 2.30 -0.13 0.00 -1.52 0.00 0.00 31.29 32.45 2diy h VAL 83 CO -0.40 0.39 0.59 0.28 0.02 0.00 0.00 177.57 178.46 2diy h SER 84 N -0.39 0.66 0.43 0.57 0.02 -1.45 -0.93 113.55 112.46 2diy h SER 84 Ca -0.00 0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 2diy h SER 84 Cb 0.69 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.28 2diy h SER 84 CO 0.02 0.07 -0.21 -0.08 -1.14 0.00 0.00 176.83 175.49 2diy h GLU 85 N 0.55 -0.56 -0.57 3.45 4.57 -0.81 1.36 114.58 122.56 2diy h GLU 85 Ca 0.66 0.04 0.06 0.00 -1.18 0.00 0.00 59.36 58.93 2diy h GLU 85 Cb 1.29 0.13 -0.08 0.00 -0.16 0.00 0.00 28.75 29.93 2diy h GLU 85 CO -0.49 -0.30 -0.44 -0.22 -1.18 0.00 0.00 179.01 176.38 2diy h LYS 86 N -0.73 -0.13 0.00 1.92 3.64 -1.12 0.30 116.57 120.46 2diy h LYS 86 Ca -0.06 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2diy h LYS 86 Cb 0.52 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 2diy h LYS 86 CO 0.10 -0.08 0.00 0.66 -2.27 0.00 0.00 179.45 177.85 2diy n TYR 87 N -4.73 0.75 -3.17 1.91 4.02 -1.04 -4.93 117.16 109.98 2diy n TYR 87 Ca -0.00 0.23 -0.15 0.00 -0.01 0.00 0.00 57.90 57.97 2diy n TYR 87 Cb 0.22 -0.88 0.06 0.00 -0.02 0.00 0.00 39.34 38.73 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 -2.12 -5.26 -2.47 -0.72 1.02 0.42 -4.91 120.64 106.60 2diy n GLU 88 Ca 0.05 0.59 -0.39 0.00 -0.02 0.00 0.00 57.16 57.39 2diy n GLU 88 Cb 0.38 -4.88 -0.02 0.00 -0.02 0.00 0.00 31.44 26.90 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 -3.24 3.93 -0.59 -3.67 -1.09 0.14 -4.77 121.20 111.91 2diy s ILE 89 Ca 0.26 -1.26 0.00 0.00 -2.23 0.00 0.00 60.65 57.42 2diy s ILE 89 Cb -0.11 -4.98 0.46 0.00 -1.58 0.00 0.00 42.46 36.25 2diy s ILE 89 CO 0.51 -1.79 1.87 -0.24 -1.23 0.00 0.00 174.94 174.06 2diy n SER 90 N 9.72 6.97 -3.62 3.58 2.88 -1.26 -4.91 113.62 126.97 2diy n SER 90 Ca 0.42 -3.78 -0.14 0.00 -1.33 0.00 0.00 58.87 54.04 2diy n SER 90 Cb 0.48 -0.85 -0.07 0.00 -0.75 0.00 0.00 64.21 63.02 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 -2.14 -0.74 0.01 -3.46 0.01 -1.26 -5.18 113.70 100.94 2diy s SER 91 Ca 0.62 1.40 -0.08 0.00 1.31 0.00 0.00 55.95 59.20 2diy s SER 91 Cb 0.49 1.41 0.00 0.00 0.21 0.00 0.00 66.02 68.12 2diy s SER 91 CO 0.00 -0.27 0.14 0.68 0.41 0.00 0.00 173.24 174.21 2diy s VAL 92 N 0.28 0.10 0.89 3.43 -7.23 -1.26 -4.21 120.40 112.40 2diy s VAL 92 Ca -0.01 -0.79 -0.12 0.00 -1.81 0.00 0.00 61.98 59.26 2diy s VAL 92 Cb -0.05 -0.60 0.13 0.00 0.56 0.00 0.00 36.38 36.42 2diy s VAL 92 CO 0.01 -0.44 1.09 -2.16 -0.31 0.00 0.00 175.10 173.30 2diy s PRO 93 N -1.79 1.27 -0.30 4.82 0.04 -1.26 -4.91 135.00 132.87 2diy s PRO 93 Ca -0.11 0.82 -0.10 0.00 0.04 0.00 0.00 61.00 61.64 2diy s PRO 93 Cb -0.05 -1.81 0.13 0.00 0.04 0.00 0.00 34.50 32.81 2diy s PRO 93 CO -0.00 -2.23 0.68 0.99 0.04 0.00 0.00 177.00 176.47 2diy s THR 94 N -2.94 -0.95 -0.05 1.26 2.01 -1.23 -3.99 115.64 109.75 2diy s THR 94 Ca 0.63 0.00 -0.03 0.00 0.31 0.00 0.00 61.69 62.60 2diy s THR 94 Cb -0.18 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.29 2diy s THR 94 CO 0.57 0.00 0.11 -0.36 -0.69 0.00 0.00 174.62 174.25 2diy s PHE 95 N 2.85 3.43 -0.19 4.92 0.08 -0.89 -0.41 117.98 127.77 2diy s PHE 95 Ca -0.06 0.34 -0.02 0.00 0.12 0.00 0.00 56.93 57.31 2diy s PHE 95 Cb -0.11 -1.83 0.06 0.00 -0.57 0.00 0.00 43.02 40.56 2diy s PHE 95 CO -0.19 0.62 0.02 -0.51 -0.10 0.00 0.00 175.22 175.06 2diy s LEU 96 N -1.45 1.29 -0.07 -0.37 1.43 -0.26 -2.36 118.68 116.89 2diy s LEU 96 Ca 0.20 -0.79 -0.30 0.00 -1.03 0.00 0.00 54.13 52.22 2diy s LEU 96 Cb -0.12 -0.66 -0.02 0.00 0.03 0.00 0.00 46.19 45.42 2diy s LEU 96 CO 0.10 -0.28 0.99 -0.36 0.23 0.00 0.00 176.35 177.03 2diy s PHE 97 N 1.81 3.56 -0.17 0.29 0.40 -0.91 -2.15 117.98 120.81 2diy s PHE 97 Ca -0.01 1.62 0.01 0.00 -0.60 0.00 0.00 56.93 57.95 2diy s PHE 97 Cb -0.17 -3.16 0.03 0.00 0.51 0.00 0.00 43.02 40.23 2diy s PHE 97 CO -0.08 -0.15 -0.13 -0.06 0.70 0.00 0.00 175.22 175.51 2diy s PHE 98 N 1.66 2.26 -0.19 0.36 0.08 -1.07 -2.77 117.98 118.30 2diy s PHE 98 Ca 0.49 -1.35 0.00 0.00 0.12 0.00 0.00 56.93 56.19 2diy s PHE 98 Cb -0.19 -1.61 0.02 0.00 -0.57 0.00 0.00 43.02 40.66 2diy s PHE 98 CO 0.21 -0.70 -0.16 0.15 -0.10 0.00 0.00 175.22 174.63 2diy s LYS 99 N 1.46 3.02 -1.67 0.44 -0.14 -0.96 -2.42 119.74 119.46 2diy s LYS 99 Ca 0.03 -0.82 -0.02 0.00 -1.36 0.00 0.00 55.97 53.80 2diy s LYS 99 Cb -0.14 -2.69 0.00 0.00 -1.68 0.00 0.00 37.83 33.33 2diy s LYS 99 CO -0.10 -0.23 0.26 -1.71 -0.76 0.00 0.00 175.35 172.81 2diy n ASN 100 N 4.65 -5.95 -2.24 2.83 5.15 0.42 -2.07 115.26 118.05 2diy n ASN 100 Ca -0.20 -0.13 -0.11 0.00 -0.60 0.00 0.00 54.58 53.54 2diy n ASN 100 Cb 0.50 -4.89 0.05 0.00 -0.53 0.00 0.00 39.78 34.90 2diy n ASN 100 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 2diy n SER 101 N -2.23 -3.03 -3.24 1.20 2.88 -1.26 -4.98 113.62 102.95 2diy n SER 101 Ca -0.19 -0.31 0.03 0.00 -1.33 0.00 0.00 58.87 57.07 2diy n SER 101 Cb 0.66 -2.95 -0.02 0.00 -0.75 0.00 0.00 64.21 61.15 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 -5.15 0.54 0.19 -1.46 -0.21 -0.88 -5.13 119.66 107.56 2diy s GLN 102 Ca 0.14 1.04 -0.33 0.00 0.02 0.00 0.00 55.36 56.23 2diy s GLN 102 Cb -0.06 0.59 -0.14 0.00 1.00 0.00 0.00 33.01 34.40 2diy s GLN 102 CO 0.39 -0.51 1.52 1.17 -2.12 0.00 0.00 175.29 175.74 2diy n LYS 103 N 5.43 2.10 0.00 2.91 4.81 -1.26 -2.28 118.16 129.87 2diy n LYS 103 Ca -0.04 0.75 0.00 0.00 -0.87 0.00 0.00 58.31 58.16 2diy n LYS 103 Cb 0.51 -2.48 0.00 0.00 0.02 0.00 0.00 35.03 33.07 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 2.89 0.00 -4.19 3.15 -5.35 -1.11 -4.93 119.36 109.82 2diy n ILE 104 Ca 0.15 0.00 -0.11 0.00 -0.27 0.00 0.00 62.75 62.52 2diy n ILE 104 Cb 0.29 -0.45 -0.10 0.00 -1.74 0.00 0.00 39.64 37.64 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 -2.07 0.67 -0.27 7.28 2.15 -1.25 -5.07 116.67 118.11 2diy s ASP 105 Ca 0.00 -1.20 -0.25 0.00 0.43 0.00 0.00 52.55 51.53 2diy s ASP 105 Cb 0.00 0.23 0.07 0.00 -0.30 0.00 0.00 42.92 42.92 2diy s ASP 105 CO 0.00 -0.67 0.73 -0.60 -0.17 0.00 0.00 175.17 174.46 2diy s ARG 106 N -4.00 0.83 -0.15 4.34 3.52 -1.26 -2.14 118.95 120.09 2diy s ARG 106 Ca 0.24 1.00 0.00 0.00 -0.13 0.00 0.00 55.73 56.84 2diy s ARG 106 Cb 0.07 0.40 0.02 0.00 -1.56 0.00 0.00 34.95 33.88 2diy s ARG 106 CO 0.03 -0.10 -0.15 -1.17 -0.81 0.00 0.00 175.30 173.10 2diy s LEU 107 N 0.40 1.76 -0.15 -0.88 0.20 -0.99 -5.02 118.68 114.00 2diy s LEU 107 Ca -0.00 -0.51 -0.02 0.00 0.69 0.00 0.00 54.13 54.28 2diy s LEU 107 Cb -0.05 -1.23 -0.02 0.00 -0.43 0.00 0.00 46.19 44.46 2diy s LEU 107 CO 0.00 -0.05 -0.08 -1.81 -0.29 0.00 0.00 176.35 174.13 2diy s ASP 108 N 1.44 4.46 0.00 3.68 1.11 -1.26 -2.09 116.67 124.01 2diy s ASP 108 Ca 0.05 -0.22 0.00 0.00 0.18 0.00 0.00 52.55 52.56 2diy s ASP 108 Cb -0.13 -1.71 0.00 0.00 1.07 0.00 0.00 42.92 42.15 2diy s ASP 108 CO -0.11 0.16 0.00 0.61 1.18 0.00 0.00 175.17 177.01 2diy n GLY 109 N 3.58 2.00 3.51 0.21 0.00 -1.26 -4.92 105.19 108.31 2diy n GLY 109 Ca -0.18 -1.32 -0.41 0.00 0.00 0.00 0.00 46.02 44.12 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 2.47 0.72 -3.86 4.61 0.00 -1.26 -4.90 120.51 118.28 2diy n ALA 110 Ca 0.00 -0.54 -0.28 0.00 0.00 0.00 0.00 53.44 52.62 2diy n ALA 110 Cb 0.00 -2.78 -0.16 0.00 0.00 0.00 0.00 19.45 16.51 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 10.14 1.61 -0.02 0.00 3.76 -1.26 -5.03 115.29 124.49 2diy s HIS 111 Ca 1.12 -1.08 -0.21 0.00 -0.15 0.00 0.00 55.06 54.74 2diy s HIS 111 Cb -0.66 -1.27 -0.12 0.00 1.11 0.00 0.00 32.58 31.64 2diy s HIS 111 CO 0.38 -0.62 0.89 0.00 -0.85 0.00 0.00 174.74 174.54 2diy h ALA 112 N 8.13 -0.59 0.02 -1.40 0.00 -2.00 -2.85 119.26 120.57 2diy h ALA 112 Ca -0.21 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 2diy h ALA 112 Cb 1.11 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2diy h ALA 112 CO 0.38 -0.59 -0.01 -1.00 0.00 0.00 0.00 179.25 178.03 2diy h PRO 113 N -1.08 -0.03 -0.72 0.00 0.13 -2.01 -3.18 132.00 125.12 2diy h PRO 113 Ca -0.06 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 65.23 2diy h PRO 113 Cb 0.53 0.01 -0.11 0.00 0.13 0.00 0.00 31.00 31.56 2diy h PRO 113 CO 0.10 0.45 0.13 1.49 -0.23 0.00 0.00 178.00 179.94 2diy h GLU 114 N -0.52 0.21 0.15 0.86 4.57 -1.99 -1.56 114.58 116.30 2diy h GLU 114 Ca -0.00 -0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.18 2diy h GLU 114 Cb 0.49 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.99 2diy h GLU 114 CO 0.01 0.14 -0.39 1.25 -1.18 0.00 0.00 179.01 178.83 2diy h LEU 115 N 0.22 -1.14 -0.10 1.64 5.85 -1.54 -2.34 115.31 117.90 2diy h LEU 115 Ca 0.40 0.12 0.04 0.00 0.84 0.00 0.00 57.88 59.28 2diy h LEU 115 Cb 0.68 0.42 -0.06 0.00 0.37 0.00 0.00 40.66 42.08 2diy h LEU 115 CO -0.53 -0.48 -0.41 0.74 -0.34 0.00 0.00 178.44 177.42 2diy h THR 116 N -0.64 0.16 -0.66 1.05 2.02 -1.30 0.35 112.91 113.88 2diy h THR 116 Ca 0.02 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.26 2diy h THR 116 Cb 0.66 0.16 -0.09 0.00 -1.74 0.00 0.00 68.15 67.14 2diy h THR 116 CO -0.21 0.00 -0.48 0.11 0.37 0.00 0.00 175.52 175.31 2diy h LYS 117 N -0.50 -0.11 -0.00 6.66 1.57 -1.12 0.20 116.57 123.26 2diy h LYS 117 Ca 0.07 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.89 2diy h LYS 117 Cb 0.63 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.92 2diy h LYS 117 CO -0.38 -0.08 -0.22 0.87 -0.57 0.00 0.00 179.45 179.08 2diy h LYS 118 N -0.12 -0.33 -0.58 3.15 1.57 -1.08 0.13 116.57 119.32 2diy h LYS 118 Ca 0.11 0.02 0.11 0.00 -1.87 0.00 0.00 60.65 59.02 2diy h LYS 118 Cb 0.40 0.08 -0.11 0.00 0.08 0.00 0.00 32.23 32.67 2diy h LYS 118 CO -0.68 -0.22 -0.28 0.28 -0.57 0.00 0.00 179.45 177.97 2diy h VAL 119 N -0.35 0.24 0.22 0.50 2.07 0.40 -1.38 116.25 117.95 2diy h VAL 119 Ca 0.06 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 2diy h VAL 119 Cb 0.43 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 2diy h VAL 119 CO -0.20 0.00 -0.10 1.56 0.02 0.00 0.00 177.57 178.84 2diy h GLN 120 N -0.13 -0.28 -0.93 1.57 4.20 -0.27 0.21 115.11 119.48 2diy h GLN 120 Ca 0.25 0.02 0.18 0.00 0.06 0.00 0.00 58.65 59.15 2diy h GLN 120 Cb 0.53 0.06 -0.17 0.00 0.30 0.00 0.00 27.48 28.20 2diy h GLN 120 CO -0.65 -0.06 -0.27 -0.09 -0.67 0.00 0.00 178.83 177.08 2diy h ARG 121 N -0.46 -0.01 -0.00 1.46 1.12 0.08 0.09 114.38 116.66 2diy h ARG 121 Ca -0.03 0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 58.82 2diy h ARG 121 Cb 0.35 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.31 2diy h ARG 121 CO 0.05 -0.01 -0.07 0.45 -3.11 0.00 0.00 179.97 177.29 2diy h HIS 122 N -0.01 0.08 -0.99 2.20 -0.00 -1.20 -3.27 115.15 111.96 2diy h HIS 122 Ca 0.42 -0.04 0.34 0.00 -0.00 0.00 0.00 60.37 61.09 2diy h HIS 122 Cb 0.66 -0.01 -0.17 0.00 -0.00 0.00 0.00 27.41 27.88 2diy h HIS 122 CO -0.75 0.79 0.34 0.00 -0.00 0.00 0.00 177.93 178.30 2diy h ALA 123 N 0.27 1.72 0.00 2.45 0.00 0.90 -3.40 119.26 121.20 2diy h ALA 123 Ca -0.01 0.28 -0.42 0.00 0.00 0.00 0.00 54.91 54.77 2diy h ALA 123 Cb 0.80 0.41 -0.06 0.00 0.00 0.00 0.00 17.79 18.94 2diy h ALA 123 CO 0.01 -0.74 1.21 0.45 0.00 0.00 0.00 179.25 180.18 2diy n SER 124 N -5.32 0.30 -4.73 0.00 2.88 -0.13 -4.86 113.62 101.76 2diy n SER 124 Ca 0.31 0.22 -0.27 0.00 -1.33 0.00 0.00 58.87 57.81 2diy n SER 124 Cb 1.02 -0.67 0.10 0.00 -0.75 0.00 0.00 64.21 63.91 2diy n SER 124 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2diy s SER 125 N 6.03 4.36 0.00 -3.46 1.04 -1.26 -5.09 113.70 115.32 2diy s SER 125 Ca 0.97 0.35 0.00 0.00 0.48 0.00 0.00 55.95 57.75 2diy s SER 125 Cb -0.97 -0.82 0.00 0.00 0.10 0.00 0.00 66.02 64.34 2diy s SER 125 CO 0.39 -1.91 0.00 0.61 0.98 0.00 0.00 173.24 173.31 2diy n GLY 126 N -3.14 4.03 0.00 7.32 0.00 -1.26 -4.99 105.19 107.15 2diy n GLY 126 Ca 0.10 -2.17 0.07 0.00 0.00 0.00 0.00 46.02 44.03 2diy n GLY 126 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2diy n PRO 127 N -0.22 0.49 -3.96 1.61 -0.04 -1.26 -4.85 135.00 126.77 2diy n PRO 127 Ca 0.00 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.19 2diy n PRO 127 Cb 0.00 -1.44 -0.01 0.00 -0.04 0.00 0.00 33.50 32.01 2diy n PRO 127 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2diy n SER 128 N -0.94 -1.51 -3.03 3.54 3.41 -1.26 -4.95 113.62 108.89 2diy n SER 128 Ca 0.10 -0.95 -0.15 0.00 -0.26 0.00 0.00 58.87 57.60 2diy n SER 128 Cb 0.05 -3.24 0.12 0.00 -0.26 0.00 0.00 64.21 60.88 2diy n SER 128 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2diy n SER 129 N -2.92 -1.14 0.00 4.04 3.41 -1.26 -5.33 113.62 110.42 2diy n SER 129 Ca -0.20 -0.95 0.00 0.00 -0.26 0.00 0.00 58.87 57.46 2diy n SER 129 Cb 0.63 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 2diy n SER 129 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49