#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2diy n SER 2 N 0.00 2.81 -3.64 1.61 7.64 -1.26 -4.91 113.62 115.88 2diy n SER 2 Ca 0.00 0.37 -0.10 0.00 1.01 0.00 0.00 58.87 60.15 2diy n SER 2 Cb 0.00 -1.42 -0.07 0.00 -1.01 0.00 0.00 64.21 61.72 2diy n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2diy s SER 3 N 7.47 -0.64 0.00 6.43 0.15 -1.26 -5.15 113.70 120.70 2diy s SER 3 Ca 1.04 1.18 0.00 0.00 0.70 0.00 0.00 55.95 58.87 2diy s SER 3 Cb -0.59 1.21 0.00 0.00 -1.71 0.00 0.00 66.02 64.93 2diy s SER 3 CO 0.43 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.28 2diy n GLY 4 N 2.86 1.49 2.86 9.45 0.00 -1.26 -5.16 105.19 115.42 2diy n GLY 4 Ca -0.15 0.44 -0.20 0.00 0.00 0.00 0.00 46.02 46.12 2diy n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2diy s SER 5 N 0.00 0.91 0.14 1.61 0.01 -1.26 -5.15 113.70 109.96 2diy s SER 5 Ca 0.00 -0.10 -0.08 0.00 1.31 0.00 0.00 55.95 57.08 2diy s SER 5 Cb 0.00 -0.39 -0.01 0.00 0.21 0.00 0.00 66.02 65.83 2diy s SER 5 CO 0.00 -0.08 0.23 -0.94 0.41 0.00 0.00 173.24 172.86 2diy s SER 6 N 1.08 0.10 0.04 2.44 1.04 -1.26 -5.13 113.70 112.01 2diy s SER 6 Ca -0.09 -0.86 -0.30 0.00 0.48 0.00 0.00 55.95 55.18 2diy s SER 6 Cb -0.14 0.39 -0.06 0.00 0.10 0.00 0.00 66.02 66.32 2diy s SER 6 CO -0.01 -0.83 1.29 -0.83 0.98 0.00 0.00 173.24 173.84 2diy s GLY 7 N -2.95 2.13 0.15 7.32 0.00 -1.26 -4.94 107.32 107.77 2diy s GLY 7 Ca 0.15 0.88 -0.34 0.00 0.00 0.00 0.00 44.72 45.40 2diy s GLY 7 CO -0.03 2.25 1.36 1.03 0.00 0.00 0.00 173.10 177.71 2diy n MET 8 N 4.49 1.53 -2.53 2.90 0.00 -1.26 -4.88 117.12 117.37 2diy n MET 8 Ca 0.11 0.55 -0.43 0.00 0.00 0.00 0.00 57.70 57.93 2diy n MET 8 Cb 0.45 -2.18 -0.02 0.00 0.00 0.00 0.00 33.22 31.46 2diy n MET 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2diy s ALA 9 N 0.32 3.28 -0.03 3.04 0.00 -1.26 -5.00 121.76 122.11 2diy s ALA 9 Ca 0.78 -0.17 -0.30 0.00 0.00 0.00 0.00 51.96 52.26 2diy s ALA 9 Cb -0.82 -3.82 -0.03 0.00 0.00 0.00 0.00 23.12 18.45 2diy s ALA 9 CO 0.47 -1.96 1.12 0.00 0.00 0.00 0.00 175.76 175.38 2diy s ALA 10 N 4.39 3.39 0.00 0.00 0.00 -1.26 -4.32 121.76 123.96 2diy s ALA 10 Ca 0.51 0.60 0.00 0.00 0.00 0.00 0.00 51.96 53.07 2diy s ALA 10 Cb -0.12 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.55 2diy s ALA 10 CO 0.26 -0.56 0.00 0.41 0.00 0.00 0.00 175.76 175.86 2diy n GLY 11 N 3.19 1.63 3.57 0.00 0.00 -1.26 -4.71 105.19 107.61 2diy n GLY 11 Ca 0.09 -0.36 -0.27 0.00 0.00 0.00 0.00 46.02 45.49 2diy n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2diy s ALA 12 N -1.13 1.65 -1.22 4.61 0.00 -1.26 -4.87 121.76 119.53 2diy s ALA 12 Ca 0.00 -1.84 -0.16 0.00 0.00 0.00 0.00 51.96 49.96 2diy s ALA 12 Cb 0.00 -4.63 0.12 0.00 0.00 0.00 0.00 23.12 18.61 2diy s ALA 12 CO 0.00 -5.18 1.55 0.00 0.00 0.00 0.00 175.76 172.13 2diy s ALA 13 N 11.08 3.63 -0.19 0.00 0.00 -1.26 -4.92 121.76 130.10 2diy s ALA 13 Ca 0.70 -3.10 -0.01 0.00 0.00 0.00 0.00 51.96 49.55 2diy s ALA 13 Cb -0.04 -4.36 0.05 0.00 0.00 0.00 0.00 23.12 18.78 2diy s ALA 13 CO 0.08 -3.04 -0.03 -2.00 0.00 0.00 0.00 175.76 170.78 2diy s GLU 14 N 2.88 1.24 0.00 0.00 2.56 -1.26 -5.09 118.70 119.03 2diy s GLU 14 Ca 0.47 -0.63 -0.38 0.00 0.00 0.00 0.00 54.97 54.44 2diy s GLU 14 Cb 0.00 -2.20 -0.17 0.00 2.00 0.00 0.00 34.13 33.76 2diy s GLU 14 CO 0.02 -0.54 1.41 0.00 -0.56 0.00 0.00 175.26 175.59 2diy n ALA 15 N 4.87 -0.95 -2.67 6.30 0.00 -1.26 -4.88 120.51 121.91 2diy n ALA 15 Ca -0.11 0.50 -0.43 0.00 0.00 0.00 0.00 53.44 53.40 2diy n ALA 15 Cb 0.46 -2.09 -0.05 0.00 0.00 0.00 0.00 19.45 17.78 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 1.10 3.21 -0.17 0.00 0.00 -1.26 -5.02 121.76 119.62 2diy s ALA 16 Ca 0.88 -1.33 0.01 0.00 0.00 0.00 0.00 51.96 51.52 2diy s ALA 16 Cb -1.00 -3.66 0.02 0.00 0.00 0.00 0.00 23.12 18.48 2diy s ALA 16 CO 0.51 -2.30 -0.20 0.08 0.00 0.00 0.00 175.76 173.85 2diy s VAL 17 N 3.68 2.09 -0.28 0.00 1.01 -1.26 -5.00 120.40 120.63 2diy s VAL 17 Ca 0.27 -0.94 0.08 0.00 0.00 0.00 0.00 61.98 61.39 2diy s VAL 17 Cb -0.14 -1.86 0.46 0.00 0.00 0.00 0.00 36.38 34.84 2diy s VAL 17 CO 0.18 0.54 1.19 0.00 0.00 0.00 0.00 175.10 177.01 2diy n ALA 18 N 4.42 4.87 -2.43 5.51 0.00 -1.26 -4.94 120.51 126.67 2diy n ALA 18 Ca -0.21 -3.73 -0.27 0.00 0.00 0.00 0.00 53.44 49.24 2diy n ALA 18 Cb 0.51 -0.33 -0.12 0.00 0.00 0.00 0.00 19.45 19.50 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 -3.57 2.34 -0.35 0.00 0.00 -1.26 -3.46 121.76 115.46 2diy s ALA 19 Ca 0.50 -1.53 -0.29 0.00 0.00 0.00 0.00 51.96 50.64 2diy s ALA 19 Cb 0.41 -0.32 0.01 0.00 0.00 0.00 0.00 23.12 23.22 2diy s ALA 19 CO 0.03 0.43 1.29 0.08 0.00 0.00 0.00 175.76 177.59 2diy s VAL 20 N -1.48 4.11 0.28 0.00 1.01 -1.26 -4.66 120.40 118.40 2diy s VAL 20 Ca 0.17 1.22 -0.27 0.00 0.00 0.00 0.00 61.98 63.09 2diy s VAL 20 Cb -0.08 -4.24 -0.09 0.00 0.00 0.00 0.00 36.38 31.96 2diy s VAL 20 CO 0.08 -0.61 0.93 -1.61 0.00 0.00 0.00 175.10 173.88 2diy s GLU 21 N 4.36 4.67 -0.52 2.72 0.41 -1.10 -4.85 118.70 124.39 2diy s GLU 21 Ca 0.56 1.36 -0.20 0.00 -0.41 0.00 0.00 54.97 56.28 2diy s GLU 21 Cb -0.14 -3.00 0.06 0.00 -1.78 0.00 0.00 34.13 29.27 2diy s GLU 21 CO 0.26 0.39 0.66 -2.00 -0.49 0.00 0.00 175.26 174.08 2diy s GLU 22 N -1.69 3.13 -0.47 1.61 2.12 -1.26 -1.54 118.70 120.60 2diy s GLU 22 Ca 0.46 -0.87 -0.19 0.00 0.36 0.00 0.00 54.97 54.73 2diy s GLU 22 Cb -0.21 -4.11 0.04 0.00 0.26 0.00 0.00 34.13 30.11 2diy s GLU 22 CO 0.27 -1.28 0.59 0.08 -0.54 0.00 0.00 175.26 174.38 2diy s VAL 23 N 2.77 4.90 -0.38 3.70 1.01 -0.30 -4.92 120.40 127.17 2diy s VAL 23 Ca 0.16 -0.31 0.05 0.00 0.00 0.00 0.00 61.98 61.88 2diy s VAL 23 Cb -0.19 -4.23 0.46 0.00 0.00 0.00 0.00 36.38 32.42 2diy s VAL 23 CO 0.12 -0.68 1.42 0.61 0.00 0.00 0.00 175.10 176.57 2diy n GLY 24 N 5.13 6.17 3.64 4.51 0.00 -1.26 -3.83 105.19 119.54 2diy n GLY 24 Ca -0.05 -2.47 -0.04 0.00 0.00 0.00 0.00 46.02 43.45 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 -3.09 -0.29 0.35 1.61 1.04 -1.26 -4.85 113.70 107.21 2diy s SER 25 Ca 0.54 0.52 0.08 0.00 0.48 0.00 0.00 55.95 57.56 2diy s SER 25 Cb 0.43 0.71 0.78 0.00 0.10 0.00 0.00 66.02 68.05 2diy s SER 25 CO 0.02 -0.09 1.88 0.00 0.98 0.00 0.00 173.24 176.04 2diy h ALA 26 N 4.33 1.78 -0.25 5.32 0.00 -1.93 -1.97 119.26 126.54 2diy h ALA 26 Ca -0.28 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.66 2diy h ALA 26 Cb 1.18 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 2diy h ALA 26 CO 0.16 -0.00 0.13 0.78 0.00 0.00 0.00 179.25 180.32 2diy h GLY 27 N 0.73 0.33 0.72 0.00 0.00 -1.97 0.31 103.07 103.19 2diy h GLY 27 Ca 0.43 -0.09 0.03 0.00 0.00 0.00 0.00 47.33 47.70 2diy h GLY 27 CO -0.19 0.08 0.02 -1.61 0.00 0.00 0.00 176.54 174.84 2diy h GLN 28 N 0.27 0.09 0.42 4.80 4.15 -1.77 0.38 115.11 123.45 2diy h GLN 28 Ca 0.10 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.49 2diy h GLN 28 Cb 0.02 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.70 2diy h GLN 28 CO -0.06 0.06 -0.20 0.35 -1.93 0.00 0.00 178.83 177.04 2diy h PHE 29 N 0.09 -0.53 -1.02 3.99 3.57 -1.29 -0.84 116.94 120.91 2diy h PHE 29 Ca 0.10 -0.01 0.25 0.00 3.53 0.00 0.00 57.97 61.83 2diy h PHE 29 Cb 0.11 0.17 -0.10 0.00 2.79 0.00 0.00 35.95 38.92 2diy h PHE 29 CO -0.16 -0.33 0.64 0.93 -2.23 0.00 0.00 178.31 177.16 2diy h GLU 30 N -0.78 0.48 0.13 1.11 4.39 -0.41 -0.58 114.58 118.92 2diy h GLU 30 Ca -0.06 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.61 2diy h GLU 30 Cb 0.44 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 2diy h GLU 30 CO 0.10 0.32 -0.06 1.49 -1.16 0.00 0.00 179.01 179.69 2diy h GLU 31 N 0.49 -0.17 -0.80 2.33 4.81 -0.21 -3.16 114.58 117.88 2diy h GLU 31 Ca 0.60 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.95 2diy h GLU 31 Cb 1.33 0.04 -0.08 0.00 0.63 0.00 0.00 28.75 30.67 2diy h GLU 31 CO -0.35 0.16 0.42 1.25 -0.73 0.00 0.00 179.01 179.76 2diy h LEU 32 N -0.52 0.55 -1.33 1.64 5.85 0.31 -1.35 115.31 120.47 2diy h LEU 32 Ca -0.02 0.07 0.45 0.00 0.84 0.00 0.00 57.88 59.22 2diy h LEU 32 Cb 0.41 -0.03 -0.12 0.00 0.37 0.00 0.00 40.66 41.29 2diy h LEU 32 CO 0.03 0.29 0.86 0.18 -0.34 0.00 0.00 178.44 179.46 2diy n LEU 33 N -4.83 0.18 -0.02 2.25 4.77 -0.41 0.25 117.00 119.19 2diy n LEU 33 Ca 0.14 1.25 -0.09 0.00 -0.03 0.00 0.00 56.01 57.27 2diy n LEU 33 Cb 0.33 -0.61 -0.08 0.00 -2.33 0.00 0.00 43.42 40.73 2diy n LEU 33 CO 0.24 -1.35 0.29 0.03 -1.33 0.00 0.00 177.39 175.28 2diy h ARG 34 N 0.00 -0.07 0.15 3.23 3.08 -1.37 -3.05 114.38 116.35 2diy h ARG 34 Ca 0.82 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.89 2diy h ARG 34 Cb 2.70 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 32.74 2diy h ARG 34 CO -0.39 0.46 -0.27 -0.07 -1.07 0.00 0.00 179.97 178.63 2diy h LEU 35 N -0.94 -0.75 -3.44 3.04 3.38 -0.21 -2.07 115.31 114.32 2diy h LEU 35 Ca -0.01 0.08 -0.27 0.00 0.09 0.00 0.00 57.88 57.78 2diy h LEU 35 Cb 0.56 0.28 -0.11 0.00 0.09 0.00 0.00 40.66 41.48 2diy h LEU 35 CO 0.01 -0.36 0.33 0.29 0.09 0.00 0.00 178.44 178.79 2diy n LYS 36 N -5.38 1.68 -0.01 1.13 4.76 0.10 -4.36 118.16 116.08 2diy n LYS 36 Ca -0.07 -1.30 -0.17 0.00 -2.87 0.00 0.00 58.31 53.91 2diy n LYS 36 Cb 0.29 -1.53 -0.12 0.00 -1.84 0.00 0.00 35.03 31.83 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 1.48 0.02 -0.35 7.82 0.00 -1.25 -3.34 119.26 123.65 2diy h ALA 37 Ca 0.24 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 2diy h ALA 37 Cb 0.93 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2diy h ALA 37 CO 0.61 0.20 0.12 0.87 0.00 0.00 0.00 179.25 181.06 2diy h LYS 38 N -0.42 0.53 -7.65 0.00 6.56 -1.81 -1.28 116.57 112.49 2diy h LYS 38 Ca -0.06 -0.10 -0.46 0.00 -1.06 0.00 0.00 60.65 58.97 2diy h LYS 38 Cb 1.21 -0.08 0.13 0.00 -0.57 0.00 0.00 32.23 32.92 2diy h LYS 38 CO 0.08 0.54 0.38 -1.54 -2.06 0.00 0.00 179.45 176.85 2diy s SER 39 N -5.82 3.89 -0.14 0.86 1.04 -1.25 -4.82 113.70 107.45 2diy s SER 39 Ca -0.13 0.45 -0.19 0.00 0.48 0.00 0.00 55.95 56.55 2diy s SER 39 Cb 0.09 -0.74 -0.04 0.00 0.10 0.00 0.00 66.02 65.44 2diy s SER 39 CO 0.74 -2.25 0.52 -0.22 0.98 0.00 0.00 173.24 173.01 2diy s LEU 40 N -5.66 4.24 -0.05 2.42 2.96 -1.26 -4.36 118.68 116.96 2diy s LEU 40 Ca 0.68 0.82 -0.03 0.00 -0.22 0.00 0.00 54.13 55.38 2diy s LEU 40 Cb -0.07 -2.76 -0.04 0.00 0.50 0.00 0.00 46.19 43.82 2diy s LEU 40 CO 0.50 -0.08 0.11 -0.22 -1.32 0.00 0.00 176.35 175.34 2diy s LEU 41 N 1.00 4.10 -0.28 -0.68 2.96 -0.91 -1.40 118.68 123.47 2diy s LEU 41 Ca 0.27 0.28 -0.01 0.00 -0.22 0.00 0.00 54.13 54.46 2diy s LEU 41 Cb -0.16 -2.22 0.09 0.00 0.50 0.00 0.00 46.19 44.40 2diy s LEU 41 CO 0.11 0.33 0.06 -0.69 -1.32 0.00 0.00 176.35 174.84 2diy s VAL 42 N -1.13 1.02 -0.30 1.68 1.01 0.09 -2.03 120.40 120.73 2diy s VAL 42 Ca 0.20 -1.29 -0.18 0.00 0.00 0.00 0.00 61.98 60.71 2diy s VAL 42 Cb -0.12 -1.65 -0.02 0.00 0.00 0.00 0.00 36.38 34.59 2diy s VAL 42 CO 0.10 -0.50 0.52 -0.69 0.00 0.00 0.00 175.10 174.54 2diy s VAL 43 N 1.57 5.03 -0.24 2.92 1.01 -1.04 -0.47 120.40 129.19 2diy s VAL 43 Ca 0.06 0.65 -0.07 0.00 0.00 0.00 0.00 61.98 62.62 2diy s VAL 43 Cb -0.18 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 2diy s VAL 43 CO -0.18 -0.07 0.05 -2.28 0.00 0.00 0.00 175.10 172.63 2diy s HIS 44 N 2.38 3.07 -0.22 5.22 5.04 0.60 -1.25 115.29 130.14 2diy s HIS 44 Ca 0.21 -0.45 -0.29 0.00 -1.54 0.00 0.00 55.06 52.98 2diy s HIS 44 Cb -0.15 -2.20 0.01 0.00 0.04 0.00 0.00 32.58 30.27 2diy s HIS 44 CO 0.11 -0.34 1.06 -0.06 -2.34 0.00 0.00 174.74 173.17 2diy s PHE 45 N 1.48 3.29 -0.15 3.88 0.40 0.91 -1.53 117.98 126.26 2diy s PHE 45 Ca 0.06 1.42 0.01 0.00 -0.60 0.00 0.00 56.93 57.82 2diy s PHE 45 Cb -0.15 -3.29 0.02 0.00 0.51 0.00 0.00 43.02 40.11 2diy s PHE 45 CO 0.03 -0.60 -0.16 1.67 0.70 0.00 0.00 175.22 176.86 2diy s TRP 46 N 3.20 2.31 0.03 0.36 1.48 -0.68 -3.67 118.94 121.97 2diy s TRP 46 Ca 0.45 -1.30 0.05 0.00 -1.06 0.00 0.00 56.10 54.24 2diy s TRP 46 Cb -0.16 -1.66 -0.03 0.00 -1.16 0.00 0.00 33.47 30.46 2diy s TRP 46 CO 0.07 -0.68 -0.09 0.00 -4.06 0.00 0.00 176.95 172.19 2diy s ALA 47 N 1.38 2.93 -1.28 2.67 0.00 -1.26 -3.73 121.76 122.46 2diy s ALA 47 Ca 0.04 -1.09 0.15 0.00 0.00 0.00 0.00 51.96 51.05 2diy s ALA 47 Cb -0.13 -1.02 0.70 0.00 0.00 0.00 0.00 23.12 22.68 2diy s ALA 47 CO -0.10 0.61 1.43 -0.35 0.00 0.00 0.00 175.76 177.35 2diy n PRO 48 N 1.38 0.14 -0.22 0.00 -0.04 -1.26 -1.96 135.00 133.04 2diy n PRO 48 Ca -0.15 0.18 0.06 0.00 -0.04 0.00 0.00 63.50 63.55 2diy n PRO 48 Cb 0.52 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.64 2diy n PRO 48 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2diy n TRP 49 N -1.36 0.51 -4.00 0.54 4.27 -1.26 -4.91 117.44 111.23 2diy n TRP 49 Ca 0.06 -0.63 -0.31 0.00 -3.89 0.00 0.00 57.50 52.73 2diy n TRP 49 Cb 0.13 -0.11 -0.15 0.00 -1.36 0.00 0.00 31.31 29.82 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 -1.60 2.32 0.26 -1.67 0.00 -0.83 -4.98 121.76 115.27 2diy s ALA 50 Ca 0.26 -1.67 0.19 0.00 0.00 0.00 0.00 51.96 50.73 2diy s ALA 50 Cb 0.17 -1.56 0.83 0.00 0.00 0.00 0.00 23.12 22.56 2diy s ALA 50 CO 0.11 -1.26 1.82 -1.00 0.00 0.00 0.00 175.76 175.43 2diy h PRO 51 N 7.84 0.00 -0.78 0.00 0.13 -1.91 -3.04 132.00 134.24 2diy h PRO 51 Ca -0.17 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 65.11 2diy h PRO 51 Cb 1.05 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.13 2diy h PRO 51 CO 0.45 0.33 0.52 1.96 -0.23 0.00 0.00 178.00 181.03 2diy h GLN 52 N 0.00 0.44 -0.05 0.86 7.50 -1.95 0.78 115.11 122.69 2diy h GLN 52 Ca -0.00 -0.03 0.01 0.00 0.50 0.00 0.00 58.65 59.13 2diy h GLN 52 Cb 0.74 -0.10 -0.00 0.00 0.05 0.00 0.00 27.48 28.17 2diy h GLN 52 CO 0.04 0.29 0.45 0.00 -1.50 0.00 0.00 178.83 178.11 2diy h ALA 54 N 1.15 -0.88 -0.82 0.00 0.00 -1.07 0.21 119.26 117.84 2diy h ALA 54 Ca 0.02 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.94 2diy h ALA 54 Cb 0.92 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.76 2diy h ALA 54 CO -0.00 -0.87 0.54 -0.56 0.00 0.00 0.00 179.25 178.36 2diy h GLN 55 N -0.29 0.91 -0.34 0.00 3.07 -1.62 -1.25 115.11 115.59 2diy h GLN 55 Ca -0.03 -0.05 -0.09 0.00 0.09 0.00 0.00 58.65 58.57 2diy h GLN 55 Cb 0.19 -0.21 -0.02 0.00 0.08 0.00 0.00 27.48 27.53 2diy h GLN 55 CO 0.04 0.60 -0.14 0.52 0.09 0.00 0.00 178.83 179.94 2diy h MET 56 N 0.94 0.61 -0.13 0.06 2.86 -1.45 -2.78 114.93 115.04 2diy h MET 56 Ca 0.35 -0.20 -0.01 0.00 -2.06 0.00 0.00 59.70 57.78 2diy h MET 56 Cb 0.17 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 2diy h MET 56 CO -0.12 0.73 0.05 -0.91 1.06 0.00 0.00 176.91 177.72 2diy h ASN 57 N 0.55 0.17 0.44 1.22 4.21 0.62 -2.45 115.58 120.34 2diy h ASN 57 Ca 0.09 -0.16 -0.01 0.00 1.21 0.00 0.00 56.30 57.44 2diy h ASN 57 Cb 0.57 -0.05 -0.02 0.00 -1.12 0.00 0.00 38.32 37.70 2diy h ASN 57 CO 0.04 0.29 -0.41 -0.33 -1.29 0.00 0.00 177.43 175.73 2diy h GLU 58 N 0.05 -0.82 -0.92 0.81 5.08 -1.36 -2.30 114.58 115.12 2diy h GLU 58 Ca 0.04 0.06 0.23 0.00 -1.00 0.00 0.00 59.36 58.69 2diy h GLU 58 Cb 0.17 0.19 -0.13 0.00 0.50 0.00 0.00 28.75 29.48 2diy h GLU 58 CO -0.00 -0.55 0.43 0.28 -1.00 0.00 0.00 179.01 178.17 2diy h VAL 59 N -0.85 0.47 0.40 3.13 2.07 -1.50 -2.14 116.25 117.83 2diy h VAL 59 Ca -0.04 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 2diy h VAL 59 Cb 0.75 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 2diy h VAL 59 CO -0.05 0.08 -0.30 0.24 0.02 0.00 0.00 177.57 177.56 2diy h MET 60 N 0.42 -0.65 -0.72 1.57 2.86 -0.93 -1.85 114.93 115.64 2diy h MET 60 Ca 0.58 0.04 0.06 0.00 -2.06 0.00 0.00 59.70 58.33 2diy h MET 60 Cb 1.12 0.15 -0.09 0.00 0.06 0.00 0.00 31.60 32.84 2diy h MET 60 CO -0.53 -0.43 -0.42 0.00 1.06 0.00 0.00 176.91 176.58 2diy n ALA 61 N -2.53 -0.46 -0.22 6.32 0.00 -0.82 0.83 120.51 123.63 2diy n ALA 61 Ca -0.08 0.61 0.03 0.00 0.00 0.00 0.00 53.44 54.00 2diy n ALA 61 Cb 0.29 -0.05 0.14 0.00 0.00 0.00 0.00 19.45 19.83 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 0.30 -0.02 0.00 3.07 -1.46 -1.67 114.58 114.79 2diy h GLU 62 Ca 0.12 -0.02 0.01 0.00 -0.50 0.00 0.00 59.36 58.96 2diy h GLU 62 Cb 0.29 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.13 2diy h GLU 62 CO -0.68 0.20 -0.02 -0.07 -1.40 0.00 0.00 179.01 177.04 2diy h LEU 63 N 0.31 -0.05 -0.75 1.33 3.38 0.13 0.58 115.31 120.24 2diy h LEU 63 Ca 0.36 0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.43 2diy h LEU 63 Cb 0.55 0.03 -0.12 0.00 0.09 0.00 0.00 40.66 41.21 2diy h LEU 63 CO -0.42 -0.02 -0.48 0.00 0.09 0.00 0.00 178.44 177.60 2diy h ALA 64 N 1.00 -0.36 -0.54 1.53 0.00 0.42 0.49 119.26 121.81 2diy h ALA 64 Ca 0.01 0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 2diy h ALA 64 Cb 0.04 1.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 2diy h ALA 64 CO -0.03 -0.86 -0.11 1.57 0.00 0.00 0.00 179.25 179.82 2diy h LYS 65 N -0.15 1.02 -0.75 0.00 2.10 -1.38 -2.90 116.57 114.52 2diy h LYS 65 Ca 0.19 -0.38 0.08 0.00 -2.00 0.00 0.00 60.65 58.54 2diy h LYS 65 Cb 0.53 -0.06 -0.05 0.00 -0.90 0.00 0.00 32.23 31.75 2diy h LYS 65 CO -0.80 1.07 0.49 1.49 -2.00 0.00 0.00 179.45 179.70 2diy h GLU 66 N 0.90 0.70 -3.31 0.07 4.57 0.13 -3.31 114.58 114.33 2diy h GLU 66 Ca 0.14 -0.04 -0.63 0.00 -1.18 0.00 0.00 59.36 57.65 2diy h GLU 66 Cb 0.68 -0.16 -0.41 0.00 -0.16 0.00 0.00 28.75 28.71 2diy h GLU 66 CO 0.05 0.46 -0.68 -0.51 -1.18 0.00 0.00 179.01 177.16 2diy s LEU 67 N -9.70 3.68 0.32 1.64 1.43 0.15 -4.94 118.68 111.27 2diy s LEU 67 Ca -0.10 -2.79 0.26 0.00 -1.03 0.00 0.00 54.13 50.47 2diy s LEU 67 Cb 0.20 -1.40 1.07 0.00 0.03 0.00 0.00 46.19 46.09 2diy s LEU 67 CO 0.77 -0.26 1.77 1.55 0.23 0.00 0.00 176.35 180.42 2diy h PRO 68 N 6.68 0.00 -0.29 1.29 0.13 -1.66 -2.43 132.00 135.72 2diy h PRO 68 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2diy h PRO 68 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 2diy h PRO 68 CO 0.60 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.37 2diy n GLN 69 N -2.41 1.71 -4.32 0.86 10.64 -1.26 -4.85 117.38 117.74 2diy n GLN 69 Ca 0.02 -1.10 -0.25 0.00 -1.83 0.00 0.00 57.00 53.84 2diy n GLN 69 Cb 0.24 -1.26 -0.12 0.00 -0.86 0.00 0.00 30.24 28.24 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 -1.62 1.90 -0.30 -0.39 1.01 -0.92 -4.20 120.40 115.89 2diy s VAL 70 Ca 0.22 -1.66 -0.01 0.00 0.00 0.00 0.00 61.98 60.53 2diy s VAL 70 Cb 0.12 -1.73 0.05 0.00 0.00 0.00 0.00 36.38 34.82 2diy s VAL 70 CO 0.16 -0.04 -0.01 -0.44 0.00 0.00 0.00 175.10 174.76 2diy s SER 71 N -2.05 4.83 -0.23 3.32 0.01 -0.49 -4.93 113.70 114.16 2diy s SER 71 Ca 0.10 -1.34 -0.14 0.00 1.31 0.00 0.00 55.95 55.87 2diy s SER 71 Cb -0.10 -1.69 -0.04 0.00 0.21 0.00 0.00 66.02 64.40 2diy s SER 71 CO 0.05 -0.26 0.34 -0.36 0.41 0.00 0.00 173.24 173.42 2diy s PHE 72 N 1.22 3.32 -0.03 2.43 0.40 -1.26 -0.74 117.98 123.32 2diy s PHE 72 Ca -0.05 0.47 0.02 0.00 -0.60 0.00 0.00 56.93 56.77 2diy s PHE 72 Cb -0.20 -2.49 0.01 0.00 0.51 0.00 0.00 43.02 40.85 2diy s PHE 72 CO -0.02 -0.07 -0.08 0.14 0.70 0.00 0.00 175.22 175.90 2diy s VAL 73 N 1.51 0.71 -0.11 -0.44 -7.23 0.38 -2.72 120.40 112.51 2diy s VAL 73 Ca 0.15 -0.30 0.00 0.00 -1.81 0.00 0.00 61.98 60.03 2diy s VAL 73 Cb -0.15 -0.65 -0.02 0.00 0.56 0.00 0.00 36.38 36.12 2diy s VAL 73 CO 0.08 0.23 -0.11 -1.59 -0.31 0.00 0.00 175.10 173.41 2diy s LYS 74 N 0.34 3.15 0.03 4.82 -2.85 -0.59 -0.29 119.74 124.35 2diy s LYS 74 Ca -0.05 -0.64 0.06 0.00 -1.00 0.00 0.00 55.97 54.34 2diy s LYS 74 Cb -0.10 -2.62 -0.02 0.00 -2.06 0.00 0.00 37.83 33.03 2diy s LYS 74 CO 0.01 0.38 -0.16 -1.17 0.10 0.00 0.00 175.35 174.50 2diy s LEU 75 N -0.06 2.14 -0.48 2.77 0.20 -0.58 -1.16 118.68 121.51 2diy s LEU 75 Ca -0.01 -0.44 -0.23 0.00 0.69 0.00 0.00 54.13 54.13 2diy s LEU 75 Cb -0.14 -0.75 0.03 0.00 -0.43 0.00 0.00 46.19 44.90 2diy s LEU 75 CO 0.03 0.10 0.83 -0.70 -0.29 0.00 0.00 176.35 176.33 2diy s GLU 76 N -0.99 3.38 0.23 1.98 2.12 -1.25 -1.68 118.70 122.48 2diy s GLU 76 Ca 0.04 -0.18 -0.15 0.00 0.36 0.00 0.00 54.97 55.04 2diy s GLU 76 Cb -0.08 -3.98 0.26 0.00 0.26 0.00 0.00 34.13 30.60 2diy s GLU 76 CO 0.01 -1.24 1.58 0.00 -0.54 0.00 0.00 175.26 175.07 2diy h ALA 77 N 9.09 0.28 0.00 6.30 0.00 -1.87 1.09 119.26 134.15 2diy h ALA 77 Ca -0.25 0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2diy h ALA 77 Cb 1.08 0.78 -0.01 0.00 0.00 0.00 0.00 17.79 19.65 2diy h ALA 77 CO 1.00 -0.54 -0.25 0.93 0.00 0.00 0.00 179.25 180.39 2diy h GLU 78 N -0.05 0.00 -0.13 0.00 4.39 -1.92 -3.03 114.58 113.85 2diy h GLU 78 Ca 0.34 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.82 2diy h GLU 78 Cb 0.59 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.26 2diy h GLU 78 CO -0.85 0.25 -0.77 0.78 -1.16 0.00 0.00 179.01 177.26 2diy h GLY 79 N 1.52 0.82 -6.95 -3.84 0.00 0.66 -3.39 103.07 91.90 2diy h GLY 79 Ca -0.00 -1.20 -0.61 0.00 0.00 0.00 0.00 47.33 45.52 2diy h GLY 79 CO 0.03 1.06 -0.67 0.14 0.00 0.00 0.00 176.54 177.11 2diy s VAL 80 N -3.68 2.28 -0.08 4.60 1.01 0.86 -4.81 120.40 120.57 2diy s VAL 80 Ca -0.11 -3.80 0.31 0.00 0.00 0.00 0.00 61.98 58.37 2diy s VAL 80 Cb 0.08 -2.51 0.34 0.00 0.00 0.00 0.00 36.38 34.29 2diy s VAL 80 CO 0.90 -1.04 1.90 1.55 0.00 0.00 0.00 175.10 178.41 2diy h PRO 81 N 5.58 0.00 -0.54 2.72 0.13 -1.75 -3.05 132.00 135.08 2diy h PRO 81 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2diy h PRO 81 Cb 0.80 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.91 2diy h PRO 81 CO 0.63 0.00 0.34 1.49 -0.23 0.00 0.00 178.00 180.23 2diy h GLU 82 N 0.00 0.73 0.04 0.86 4.57 -1.91 -1.26 114.58 117.61 2diy h GLU 82 Ca 0.00 -0.06 -0.06 0.00 -1.18 0.00 0.00 59.36 58.06 2diy h GLU 82 Cb 0.44 -0.16 0.01 0.00 -0.16 0.00 0.00 28.75 28.88 2diy h GLU 82 CO 0.00 0.51 -0.27 0.28 -1.18 0.00 0.00 179.01 178.35 2diy h VAL 83 N 0.73 1.67 -0.98 0.32 2.07 -1.93 -3.23 116.25 114.91 2diy h VAL 83 Ca 0.20 -2.31 0.21 0.00 0.82 0.00 0.00 66.70 65.61 2diy h VAL 83 Cb -0.04 3.22 -0.11 0.00 -1.52 0.00 0.00 31.29 32.83 2diy h VAL 83 CO -0.04 0.62 0.57 0.28 0.02 0.00 0.00 177.57 179.02 2diy h SER 84 N -0.73 0.69 0.29 0.57 0.02 -1.52 -1.30 113.55 111.57 2diy h SER 84 Ca -0.04 0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 2diy h SER 84 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 2diy h SER 84 CO 0.05 0.19 -0.14 -0.08 -1.14 0.00 0.00 176.83 175.71 2diy h GLU 85 N 0.66 -0.38 -0.43 3.45 4.57 -1.32 1.99 114.58 123.12 2diy h GLU 85 Ca 0.59 0.03 0.05 0.00 -1.18 0.00 0.00 59.36 58.84 2diy h GLU 85 Cb 1.00 0.09 -0.08 0.00 -0.16 0.00 0.00 28.75 29.60 2diy h GLU 85 CO -0.43 -0.19 -0.51 -0.22 -1.18 0.00 0.00 179.01 176.48 2diy h LYS 86 N -0.48 -0.32 0.00 1.92 3.64 -1.26 0.94 116.57 121.01 2diy h LYS 86 Ca -0.04 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2diy h LYS 86 Cb 0.36 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 2diy h LYS 86 CO 0.07 -0.21 -0.06 0.66 -2.27 0.00 0.00 179.45 177.64 2diy n TYR 87 N -5.13 0.32 -3.28 1.91 4.02 -1.02 -4.94 117.16 109.04 2diy n TYR 87 Ca -0.03 0.09 -0.16 0.00 -0.01 0.00 0.00 57.90 57.80 2diy n TYR 87 Cb 0.30 -0.63 0.08 0.00 -0.02 0.00 0.00 39.34 39.07 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 -1.77 -5.97 -2.64 -0.72 1.02 0.63 -4.91 120.64 106.29 2diy n GLU 88 Ca 0.06 0.74 -0.42 0.00 -0.02 0.00 0.00 57.16 57.53 2diy n GLU 88 Cb 0.37 -5.46 -0.02 0.00 -0.02 0.00 0.00 31.44 26.31 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 -3.31 4.12 -0.54 -3.67 -1.09 0.11 -4.81 121.20 112.02 2diy s ILE 89 Ca 0.06 -1.11 0.01 0.00 -2.23 0.00 0.00 60.65 57.39 2diy s ILE 89 Cb -0.03 -5.03 0.46 0.00 -1.58 0.00 0.00 42.46 36.29 2diy s ILE 89 CO 0.64 -1.87 1.75 -1.20 -1.23 0.00 0.00 174.94 173.03 2diy n SER 90 N 8.33 6.64 -3.65 3.58 7.64 -1.26 -4.91 113.62 129.98 2diy n SER 90 Ca 0.34 -3.77 -0.11 0.00 1.01 0.00 0.00 58.87 56.34 2diy n SER 90 Cb 0.50 -0.76 -0.08 0.00 -1.01 0.00 0.00 64.21 62.86 2diy n SER 90 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2diy s SER 91 N -2.41 -0.77 0.02 6.43 1.04 -1.26 -5.17 113.70 111.58 2diy s SER 91 Ca 0.60 1.35 -0.01 0.00 0.48 0.00 0.00 55.95 58.36 2diy s SER 91 Cb 0.48 1.28 -0.02 0.00 0.10 0.00 0.00 66.02 67.86 2diy s SER 91 CO 0.01 -0.23 0.00 0.68 0.98 0.00 0.00 173.24 174.68 2diy s VAL 92 N 1.02 0.11 0.90 5.02 -7.23 -1.26 -4.14 120.40 114.82 2diy s VAL 92 Ca -0.05 -0.92 -0.12 0.00 -1.81 0.00 0.00 61.98 59.08 2diy s VAL 92 Cb -0.05 -0.36 0.13 0.00 0.56 0.00 0.00 36.38 36.66 2diy s VAL 92 CO -0.10 -0.50 1.09 -2.16 -0.31 0.00 0.00 175.10 173.12 2diy s PRO 93 N -1.59 1.24 -0.28 4.82 0.04 -1.26 -4.99 135.00 132.98 2diy s PRO 93 Ca -0.15 0.81 -0.17 0.00 0.04 0.00 0.00 61.00 61.54 2diy s PRO 93 Cb -0.09 -1.81 0.08 0.00 0.04 0.00 0.00 34.50 32.73 2diy s PRO 93 CO -0.01 -2.25 0.71 0.99 0.04 0.00 0.00 177.00 176.47 2diy s THR 94 N -2.94 0.00 0.06 1.26 2.01 -1.24 -4.11 115.64 110.68 2diy s THR 94 Ca 0.63 0.00 0.04 0.00 0.31 0.00 0.00 61.69 62.67 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 -0.02 -0.36 -0.69 0.00 0.00 174.62 174.12 2diy s PHE 95 N 1.53 2.98 -0.20 4.92 0.40 -1.06 -0.07 117.98 126.48 2diy s PHE 95 Ca -0.09 -0.01 -0.04 0.00 -0.60 0.00 0.00 56.93 56.18 2diy s PHE 95 Cb -0.05 -1.57 0.08 0.00 0.51 0.00 0.00 43.02 41.98 2diy s PHE 95 CO -0.18 0.46 0.13 -0.51 0.70 0.00 0.00 175.22 175.81 2diy s LEU 96 N -1.99 0.28 -0.14 -0.37 1.43 -0.38 -2.31 118.68 115.21 2diy s LEU 96 Ca 0.23 -0.68 -0.29 0.00 -1.03 0.00 0.00 54.13 52.35 2diy s LEU 96 Cb -0.12 -0.13 -0.01 0.00 0.03 0.00 0.00 46.19 45.96 2diy s LEU 96 CO 0.14 -0.36 1.06 -0.36 0.23 0.00 0.00 176.35 177.06 2diy s PHE 97 N 2.17 3.37 -0.21 0.29 0.40 -0.79 -2.50 117.98 120.70 2diy s PHE 97 Ca 0.04 1.46 0.00 0.00 -0.60 0.00 0.00 56.93 57.84 2diy s PHE 97 Cb -0.16 -3.27 0.03 0.00 0.51 0.00 0.00 43.02 40.13 2diy s PHE 97 CO -0.16 -0.57 -0.14 -0.06 0.70 0.00 0.00 175.22 175.00 2diy s PHE 98 N 2.48 2.95 -0.19 0.36 0.08 -0.86 -2.90 117.98 119.91 2diy s PHE 98 Ca 0.49 -1.70 -0.04 0.00 0.12 0.00 0.00 56.93 55.80 2diy s PHE 98 Cb -0.19 -1.97 -0.02 0.00 -0.57 0.00 0.00 43.02 40.28 2diy s PHE 98 CO 0.15 -0.78 -0.04 0.15 -0.10 0.00 0.00 175.22 174.60 2diy s LYS 99 N 1.28 3.52 -1.08 0.44 -0.14 -0.42 -2.14 119.74 121.20 2diy s LYS 99 Ca 0.01 -0.57 -0.03 0.00 -1.36 0.00 0.00 55.97 54.02 2diy s LYS 99 Cb -0.15 -2.97 0.02 0.00 -1.68 0.00 0.00 37.83 33.05 2diy s LYS 99 CO -0.09 0.01 0.16 -1.71 -0.76 0.00 0.00 175.35 172.96 2diy n ASN 100 N 4.20 -3.79 -0.66 2.83 5.15 -0.48 0.52 115.26 123.03 2diy n ASN 100 Ca -0.18 0.03 -0.05 0.00 -0.60 0.00 0.00 54.58 53.78 2diy n ASN 100 Cb 0.52 -3.19 -0.00 0.00 -0.53 0.00 0.00 39.78 36.57 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 -1.95 -2.33 -3.59 1.20 2.88 -1.26 -4.96 113.62 103.61 2diy n SER 101 Ca -0.10 -0.02 -0.17 0.00 -1.33 0.00 0.00 58.87 57.25 2diy n SER 101 Cb 0.59 -1.63 -0.14 0.00 -0.75 0.00 0.00 64.21 62.27 2diy n SER 101 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2diy s GLN 102 N -4.36 0.13 0.15 -1.46 -0.21 0.18 -5.12 119.66 108.98 2diy s GLN 102 Ca 0.01 0.42 -0.32 0.00 0.02 0.00 0.00 55.36 55.50 2diy s GLN 102 Cb -0.01 -0.69 -0.12 0.00 1.00 0.00 0.00 33.01 33.20 2diy s GLN 102 CO 0.02 -0.47 1.78 1.17 -2.12 0.00 0.00 175.29 175.66 2diy n LYS 103 N 5.33 2.70 -0.00 2.91 4.81 -1.26 -1.30 118.16 131.34 2diy n LYS 103 Ca -0.05 0.98 0.00 0.00 -0.87 0.00 0.00 58.31 58.37 2diy n LYS 103 Cb 0.50 -2.84 -0.01 0.00 0.02 0.00 0.00 35.03 32.70 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 4.34 0.02 -3.70 3.15 -5.35 -1.14 -4.92 119.36 111.76 2diy n ILE 104 Ca 0.17 -0.03 -0.10 0.00 -0.27 0.00 0.00 62.75 62.52 2diy n ILE 104 Cb 0.35 0.07 -0.04 0.00 -1.74 0.00 0.00 39.64 38.28 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 -2.41 -0.27 -0.24 7.28 2.15 -1.25 -5.08 116.67 116.85 2diy s ASP 105 Ca -0.00 -0.43 -0.20 0.00 0.43 0.00 0.00 52.55 52.35 2diy s ASP 105 Cb 0.01 0.56 0.06 0.00 -0.30 0.00 0.00 42.92 43.25 2diy s ASP 105 CO 0.05 -1.01 0.62 -0.60 -0.17 0.00 0.00 175.17 174.06 2diy s ARG 106 N -3.85 0.70 -0.11 4.34 3.00 -1.26 -1.89 118.95 119.87 2diy s ARG 106 Ca 0.08 0.91 -0.02 0.00 -1.00 0.00 0.00 55.73 55.69 2diy s ARG 106 Cb -0.00 0.30 -0.03 0.00 0.00 0.00 0.00 34.95 35.22 2diy s ARG 106 CO -0.05 -0.10 -0.01 -1.17 0.00 0.00 0.00 175.30 173.97 2diy s LEU 107 N 0.56 3.48 -0.18 -0.88 0.20 -0.98 -5.02 118.68 115.86 2diy s LEU 107 Ca -0.02 0.06 0.01 0.00 0.69 0.00 0.00 54.13 54.87 2diy s LEU 107 Cb -0.05 -1.81 0.03 0.00 -0.43 0.00 0.00 46.19 43.93 2diy s LEU 107 CO -0.03 0.31 -0.17 1.51 -0.29 0.00 0.00 176.35 177.69 2diy s ASP 108 N -0.47 3.13 0.00 3.68 -4.77 -1.26 -2.55 116.67 114.42 2diy s ASP 108 Ca 0.08 -0.68 0.00 0.00 -3.30 0.00 0.00 52.55 48.65 2diy s ASP 108 Cb -0.12 -1.38 0.00 0.00 -1.09 0.00 0.00 42.92 40.33 2diy s ASP 108 CO 0.02 -0.04 0.00 0.61 0.70 0.00 0.00 175.17 176.46 2diy n GLY 109 N 4.65 2.35 3.54 2.12 0.00 -1.26 -4.93 105.19 111.67 2diy n GLY 109 Ca -0.19 -1.41 -0.39 0.00 0.00 0.00 0.00 46.02 44.04 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 2.07 0.87 -3.92 4.61 0.00 -1.26 -4.91 120.51 117.97 2diy n ALA 110 Ca 0.00 -0.72 -0.28 0.00 0.00 0.00 0.00 53.44 52.45 2diy n ALA 110 Cb 0.00 -3.02 -0.17 0.00 0.00 0.00 0.00 19.45 16.27 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 11.04 1.66 -0.01 0.00 4.02 -1.26 -5.04 115.29 125.70 2diy s HIS 111 Ca 1.04 -0.91 -0.22 0.00 1.02 0.00 0.00 55.06 56.00 2diy s HIS 111 Cb -0.38 -1.32 -0.12 0.00 -1.02 0.00 0.00 32.58 29.74 2diy s HIS 111 CO 0.32 -0.57 0.91 0.00 1.02 0.00 0.00 174.74 176.42 2diy h ALA 112 N 8.14 -0.74 -0.12 -1.40 0.00 -1.96 -2.68 119.26 120.52 2diy h ALA 112 Ca -0.30 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 2diy h ALA 112 Cb 1.13 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 2diy h ALA 112 CO 0.43 -0.70 -0.11 -1.00 0.00 0.00 0.00 179.25 177.87 2diy h PRO 113 N -1.17 0.28 -0.73 0.00 0.13 -2.00 -3.16 132.00 125.34 2diy h PRO 113 Ca -0.08 -0.15 0.13 0.00 -0.87 0.00 0.00 66.00 65.04 2diy h PRO 113 Cb 0.59 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 31.63 2diy h PRO 113 CO 0.12 0.69 0.30 1.49 -0.23 0.00 0.00 178.00 180.37 2diy h GLU 114 N -0.12 0.45 0.16 0.86 4.57 -1.99 -1.04 114.58 117.47 2diy h GLU 114 Ca 0.02 -0.03 0.01 0.00 -1.18 0.00 0.00 59.36 58.18 2diy h GLU 114 Cb 0.63 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 29.09 2diy h GLU 114 CO 0.03 0.30 -0.26 1.25 -1.18 0.00 0.00 179.01 179.15 2diy h LEU 115 N 0.47 -0.73 -0.93 1.64 5.85 -1.49 -2.27 115.31 117.86 2diy h LEU 115 Ca 0.39 0.08 0.08 0.00 0.84 0.00 0.00 57.88 59.28 2diy h LEU 115 Cb 0.56 0.27 -0.07 0.00 0.37 0.00 0.00 40.66 41.79 2diy h LEU 115 CO -0.37 -0.36 0.58 0.74 -0.34 0.00 0.00 178.44 178.69 2diy h THR 116 N -0.49 1.00 0.21 1.05 2.02 -1.35 -0.93 112.91 114.42 2diy h THR 116 Ca 0.02 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 66.86 2diy h THR 116 Cb 0.50 -0.09 -0.04 0.00 -1.74 0.00 0.00 68.15 66.78 2diy h THR 116 CO -0.12 0.18 -0.50 0.11 0.37 0.00 0.00 175.52 175.56 2diy h LYS 117 N 1.00 -0.76 -0.93 6.66 1.79 -0.66 0.15 116.57 123.83 2diy h LYS 117 Ca 0.43 0.05 0.02 0.00 -2.18 0.00 0.00 60.65 58.97 2diy h LYS 117 Cb 0.29 0.17 -0.05 0.00 -1.58 0.00 0.00 32.23 31.06 2diy h LYS 117 CO -0.21 -0.51 0.61 0.87 -1.08 0.00 0.00 179.45 179.13 2diy h LYS 118 N -0.79 1.18 -0.05 3.15 1.57 -1.18 -0.87 116.57 119.59 2diy h LYS 118 Ca -0.02 -0.07 0.02 0.00 -1.87 0.00 0.00 60.65 58.71 2diy h LYS 118 Cb 0.76 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 2diy h LYS 118 CO -0.22 0.78 -0.06 0.28 -0.57 0.00 0.00 179.45 179.66 2diy h VAL 119 N 1.21 0.83 0.10 0.50 2.07 -0.50 0.08 116.25 120.54 2diy h VAL 119 Ca 0.35 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.87 2diy h VAL 119 Cb -0.07 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 2diy h VAL 119 CO -0.09 0.00 -0.05 1.56 0.02 0.00 0.00 177.57 179.01 2diy h GLN 120 N -0.08 -0.13 -0.50 1.57 4.20 -0.39 0.39 115.11 120.16 2diy h GLN 120 Ca 0.04 0.01 0.10 0.00 0.06 0.00 0.00 58.65 58.86 2diy h GLN 120 Cb 0.14 0.03 -0.08 0.00 0.30 0.00 0.00 27.48 27.87 2diy h GLN 120 CO -0.10 0.11 -0.00 -0.09 -0.67 0.00 0.00 178.83 178.07 2diy h ARG 121 N -0.35 0.11 -0.26 1.46 2.43 -1.05 -1.93 114.38 114.79 2diy h ARG 121 Ca -0.01 -0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 59.00 2diy h ARG 121 Cb 0.30 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.82 2diy h ARG 121 CO 0.02 0.07 -0.44 0.45 -1.51 0.00 0.00 179.97 178.56 2diy h HIS 122 N 0.11 0.94 -0.99 2.20 3.86 -0.92 -3.18 115.15 117.18 2diy h HIS 122 Ca 0.26 -0.33 0.35 0.00 -1.16 0.00 0.00 60.37 59.49 2diy h HIS 122 Cb 0.39 -0.18 -0.11 0.00 1.06 0.00 0.00 27.41 28.57 2diy h HIS 122 CO -0.32 1.12 0.62 0.00 0.86 0.00 0.00 177.93 180.21 2diy n ALA 123 N -2.54 0.98 -1.52 2.45 0.00 0.14 -4.25 120.51 115.78 2diy n ALA 123 Ca -0.05 0.67 -0.39 0.00 0.00 0.00 0.00 53.44 53.66 2diy n ALA 123 Cb 0.57 -0.79 -0.10 0.00 0.00 0.00 0.00 19.45 19.13 2diy n ALA 123 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2diy n SER 124 N -4.26 1.12 -4.72 0.00 7.64 -1.20 -4.89 113.62 107.31 2diy n SER 124 Ca 0.30 -0.08 -0.29 0.00 1.01 0.00 0.00 58.87 59.81 2diy n SER 124 Cb 1.14 -1.19 -0.08 0.00 -1.01 0.00 0.00 64.21 63.07 2diy n SER 124 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2diy s SER 125 N 10.20 4.14 0.00 6.43 0.15 -1.26 -5.10 113.70 128.26 2diy s SER 125 Ca 1.21 -1.40 0.00 0.00 0.70 0.00 0.00 55.95 56.46 2diy s SER 125 Cb -0.83 -0.03 0.00 0.00 -1.71 0.00 0.00 66.02 63.44 2diy s SER 125 CO 0.40 -0.66 0.00 0.61 1.20 0.00 0.00 173.24 174.79 2diy n GLY 126 N -1.19 0.66 3.77 9.45 0.00 -1.26 -4.94 105.19 111.68 2diy n GLY 126 Ca -0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 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 2.67 0.21 1.61 0.04 -1.26 -5.06 135.00 133.21 2diy s PRO 127 Ca 0.00 1.34 -0.23 0.00 0.04 0.00 0.00 61.00 62.15 2diy s PRO 127 Cb 0.00 -1.94 0.05 0.00 0.04 0.00 0.00 34.50 32.66 2diy s PRO 127 CO 0.00 -1.35 0.90 0.45 0.04 0.00 0.00 177.00 177.05 2diy s SER 128 N -2.76 -0.15 -0.42 6.66 0.15 -1.26 -5.06 113.70 110.85 2diy s SER 128 Ca 0.66 -0.56 -0.06 0.00 0.70 0.00 0.00 55.95 56.69 2diy s SER 128 Cb -0.20 0.58 0.10 0.00 -1.71 0.00 0.00 66.02 64.79 2diy s SER 128 CO 0.45 -1.09 0.25 -0.55 1.20 0.00 0.00 173.24 173.50 2diy s SER 129 N -3.01 5.44 0.00 5.45 0.15 -1.26 -5.22 113.70 115.24 2diy s SER 129 Ca 0.14 -1.86 0.12 0.00 0.70 0.00 0.00 55.95 55.05 2diy s SER 129 Cb -0.03 -1.91 0.74 0.00 -1.71 0.00 0.00 66.02 63.11 2diy s SER 129 CO 0.05 -0.58 1.17 0.61 1.20 0.00 0.00 173.24 175.69