#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 6.80 -0.35 1.61 0.01 -1.26 -4.98 113.70 115.52 2diy s SER 2 Ca 0.00 -2.44 -0.10 0.00 1.31 0.00 0.00 55.95 54.72 2diy s SER 2 Cb 0.00 -2.38 0.02 0.00 0.21 0.00 0.00 66.02 63.88 2diy s SER 2 CO 0.00 -0.90 0.17 -0.94 0.41 0.00 0.00 173.24 171.99 2diy s SER 3 N 3.19 5.60 0.23 2.44 1.04 -1.26 -5.07 113.70 119.86 2diy s SER 3 Ca 0.34 -0.93 0.02 0.00 0.48 0.00 0.00 55.95 55.86 2diy s SER 3 Cb -0.05 -1.99 -0.05 0.00 0.10 0.00 0.00 66.02 64.04 2diy s SER 3 CO -0.07 -0.34 0.04 -0.83 0.98 0.00 0.00 173.24 173.03 2diy s GLY 4 N 1.53 1.53 0.12 7.32 0.00 -1.26 -5.17 107.32 111.39 2diy s GLY 4 Ca 0.02 -1.76 -0.15 0.00 0.00 0.00 0.00 44.72 42.83 2diy s GLY 4 CO 0.06 -1.59 0.37 -0.45 0.00 0.00 0.00 173.10 171.48 2diy s SER 5 N -3.27 -0.18 0.19 1.64 0.15 -1.26 -5.18 113.70 105.79 2diy s SER 5 Ca 0.31 -0.36 0.01 0.00 0.70 0.00 0.00 55.95 56.61 2diy s SER 5 Cb 0.07 0.45 -0.05 0.00 -1.71 0.00 0.00 66.02 64.78 2diy s SER 5 CO 0.09 -0.83 0.05 -0.94 1.20 0.00 0.00 173.24 172.81 2diy s SER 6 N -2.80 0.99 -0.19 5.45 1.04 -1.26 -5.17 113.70 111.76 2diy s SER 6 Ca 0.03 -1.25 -0.31 0.00 0.48 0.00 0.00 55.95 54.90 2diy s SER 6 Cb 0.02 0.18 0.15 0.00 0.10 0.00 0.00 66.02 66.47 2diy s SER 6 CO -0.12 -0.66 1.13 -0.83 0.98 0.00 0.00 173.24 173.75 2diy s GLY 7 N -3.19 -0.19 0.08 7.32 0.00 -1.26 -5.18 107.32 104.90 2diy s GLY 7 Ca 0.29 2.09 -0.01 0.00 0.00 0.00 0.00 44.72 47.09 2diy s GLY 7 CO 0.07 0.90 -0.01 1.06 0.00 0.00 0.00 173.10 175.12 2diy s MET 8 N -1.50 0.73 0.09 2.90 1.00 -1.26 -5.12 119.30 116.14 2diy s MET 8 Ca 0.04 -1.30 -0.31 0.00 0.00 0.00 0.00 55.69 54.12 2diy s MET 8 Cb -0.01 0.17 -0.09 0.00 0.00 0.00 0.00 34.83 34.90 2diy s MET 8 CO -0.03 -0.14 1.66 0.00 0.00 0.00 0.00 175.02 176.51 2diy s ALA 9 N -3.92 3.71 -0.09 3.03 0.00 -1.26 -4.89 121.76 118.34 2diy s ALA 9 Ca 0.12 1.26 -0.06 0.00 0.00 0.00 0.00 51.96 53.29 2diy s ALA 9 Cb 0.08 -3.69 -0.04 0.00 0.00 0.00 0.00 23.12 19.46 2diy s ALA 9 CO -0.06 -1.07 -0.14 0.00 0.00 0.00 0.00 175.76 174.49 2diy n ALA 10 N 5.35 2.27 -2.86 0.00 0.00 -1.26 -5.06 120.51 118.94 2diy n ALA 10 Ca 0.16 -0.42 -0.12 0.00 0.00 0.00 0.00 53.44 53.05 2diy n ALA 10 Cb 0.40 0.33 -0.14 0.00 0.00 0.00 0.00 19.45 20.04 2diy n ALA 10 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2diy s GLY 11 N -5.06 0.07 -0.03 0.00 0.00 -1.26 -5.13 107.32 95.91 2diy s GLY 11 Ca -0.15 -0.09 -0.30 0.00 0.00 0.00 0.00 44.72 44.18 2diy s GLY 11 CO 0.19 -0.10 1.11 0.00 0.00 0.00 0.00 173.10 174.30 2diy s ALA 12 N -0.16 3.37 -0.13 3.20 0.00 -1.26 -5.03 121.76 121.75 2diy s ALA 12 Ca -0.01 0.60 0.01 0.00 0.00 0.00 0.00 51.96 52.56 2diy s ALA 12 Cb -0.01 -3.44 -0.01 0.00 0.00 0.00 0.00 23.12 19.66 2diy s ALA 12 CO -0.00 -0.53 -0.16 0.00 0.00 0.00 0.00 175.76 175.07 2diy s ALA 13 N 1.64 2.49 0.11 0.00 0.00 -1.26 -5.12 121.76 119.62 2diy s ALA 13 Ca 0.54 -0.95 0.05 0.00 0.00 0.00 0.00 51.96 51.61 2diy s ALA 13 Cb -0.23 -1.13 -0.04 0.00 0.00 0.00 0.00 23.12 21.71 2diy s ALA 13 CO 0.24 0.19 -0.00 -1.21 0.00 0.00 0.00 175.76 174.97 2diy s GLU 14 N 0.47 2.50 -0.12 0.00 8.01 -1.26 -5.12 118.70 123.19 2diy s GLU 14 Ca -0.11 -0.89 -0.04 0.00 0.01 0.00 0.00 54.97 53.94 2diy s GLU 14 Cb -0.16 -2.50 0.05 0.00 -4.31 0.00 0.00 34.13 27.21 2diy s GLU 14 CO 0.05 0.52 0.07 0.00 0.01 0.00 0.00 175.26 175.91 2diy s ALA 15 N -1.38 0.41 -0.33 5.21 0.00 -1.26 -5.10 121.76 119.31 2diy s ALA 15 Ca 0.26 -0.14 -0.44 0.00 0.00 0.00 0.00 51.96 51.64 2diy s ALA 15 Cb -0.11 -0.87 -0.19 0.00 0.00 0.00 0.00 23.12 21.95 2diy s ALA 15 CO 0.18 -0.88 1.53 0.00 0.00 0.00 0.00 175.76 176.60 2diy n ALA 16 N 5.26 -1.44 -2.70 0.00 0.00 -1.26 -4.90 120.51 115.47 2diy n ALA 16 Ca -0.06 0.49 -0.38 0.00 0.00 0.00 0.00 53.44 53.49 2diy n ALA 16 Cb 0.49 -1.97 -0.06 0.00 0.00 0.00 0.00 19.45 17.91 2diy n ALA 16 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2diy s VAL 17 N 2.48 5.16 -0.30 0.00 1.01 -1.26 -4.97 120.40 122.53 2diy s VAL 17 Ca 1.00 0.96 0.10 0.00 0.00 0.00 0.00 61.98 64.04 2diy s VAL 17 Cb -1.33 -3.83 0.47 0.00 0.00 0.00 0.00 36.38 31.69 2diy s VAL 17 CO 0.72 0.28 1.16 0.00 0.00 0.00 0.00 175.10 177.26 2diy n ALA 18 N 3.99 4.50 -2.52 5.51 0.00 -1.26 -4.96 120.51 125.76 2diy n ALA 18 Ca -0.06 -3.61 -0.25 0.00 0.00 0.00 0.00 53.44 49.52 2diy n ALA 18 Cb 0.51 -0.47 -0.13 0.00 0.00 0.00 0.00 19.45 19.37 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 -3.63 1.88 -0.27 0.00 0.00 -1.26 -3.76 121.76 114.73 2diy s ALA 19 Ca 0.45 -1.28 -0.29 0.00 0.00 0.00 0.00 51.96 50.85 2diy s ALA 19 Cb 0.39 -0.26 0.01 0.00 0.00 0.00 0.00 23.12 23.26 2diy s ALA 19 CO 0.00 0.39 1.11 0.54 0.00 0.00 0.00 175.76 177.80 2diy s VAL 20 N -1.15 4.50 0.74 0.00 0.11 -1.26 -4.88 120.40 118.46 2diy s VAL 20 Ca 0.07 1.76 -0.12 0.00 -2.93 0.00 0.00 61.98 60.76 2diy s VAL 20 Cb -0.10 -4.30 0.04 0.00 -1.53 0.00 0.00 36.38 30.49 2diy s VAL 20 CO 0.04 -0.33 1.10 -1.61 -3.33 0.00 0.00 175.10 170.97 2diy s GLU 21 N 3.54 2.38 -0.10 1.54 8.01 -0.71 -4.81 118.70 128.55 2diy s GLU 21 Ca 0.47 1.29 0.03 0.00 0.01 0.00 0.00 54.97 56.77 2diy s GLU 21 Cb -0.15 -1.90 -0.01 0.00 -4.31 0.00 0.00 34.13 27.76 2diy s GLU 21 CO 0.13 -1.56 -0.21 -1.21 0.01 0.00 0.00 175.26 172.42 2diy s GLU 22 N -4.57 3.06 -0.17 1.61 2.02 -1.26 -1.26 118.70 118.13 2diy s GLU 22 Ca 0.64 -0.83 -0.26 0.00 0.02 0.00 0.00 54.97 54.54 2diy s GLU 22 Cb -0.19 -2.37 -0.01 0.00 0.10 0.00 0.00 34.13 31.66 2diy s GLU 22 CO 0.51 0.23 0.88 0.08 0.02 0.00 0.00 175.26 176.97 2diy s VAL 23 N 0.24 4.85 -0.01 2.63 1.01 -0.50 -4.94 120.40 123.67 2diy s VAL 23 Ca -0.14 1.73 0.02 0.00 0.00 0.00 0.00 61.98 63.59 2diy s VAL 23 Cb -0.17 -4.18 -0.25 0.00 0.00 0.00 0.00 36.38 31.78 2diy s VAL 23 CO 0.07 0.00 0.78 1.23 0.00 0.00 0.00 175.10 177.19 2diy h GLY 24 N 8.39 0.18 -1.83 4.51 0.00 -1.97 -3.42 103.07 108.93 2diy h GLY 24 Ca -0.28 -0.45 0.10 0.00 0.00 0.00 0.00 47.33 46.69 2diy h GLY 24 CO 0.85 0.40 0.38 -1.35 0.00 0.00 0.00 176.54 176.82 2diy s SER 25 N -6.71 -0.13 0.12 0.19 1.04 -1.26 -4.70 113.70 102.25 2diy s SER 25 Ca -0.08 -0.68 -0.33 0.00 0.48 0.00 0.00 55.95 55.34 2diy s SER 25 Cb 0.07 0.64 -0.12 0.00 0.10 0.00 0.00 66.02 66.72 2diy s SER 25 CO 0.83 -1.22 1.55 0.00 0.98 0.00 0.00 173.24 175.38 2diy h ALA 26 N 2.00 -0.84 -0.91 5.32 0.00 -1.95 -2.27 119.26 120.61 2diy h ALA 26 Ca -0.25 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 54.73 2diy h ALA 26 Cb 1.24 1.01 -0.13 0.00 0.00 0.00 0.00 17.79 19.91 2diy h ALA 26 CO 0.30 -1.07 -0.44 0.41 0.00 0.00 0.00 179.25 178.45 2diy n GLY 27 N -1.43 -2.11 0.47 0.00 0.00 -1.26 0.03 105.19 100.90 2diy n GLY 27 Ca -0.05 1.05 -0.16 0.00 0.00 0.00 0.00 46.02 46.86 2diy n GLY 27 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2diy h GLN 28 N 0.00 -0.63 0.43 1.61 4.15 -1.83 0.34 115.11 119.17 2diy h GLN 28 Ca 0.23 0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.68 2diy h GLN 28 Cb 0.46 0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.27 2diy h GLN 28 CO -0.88 -0.42 -0.42 0.35 -1.93 0.00 0.00 178.83 175.53 2diy h PHE 29 N -0.66 -1.18 -0.99 3.99 3.57 -0.70 -0.15 116.94 120.83 2diy h PHE 29 Ca 0.02 0.01 0.28 0.00 3.53 0.00 0.00 57.97 61.81 2diy h PHE 29 Cb 0.72 0.46 -0.14 0.00 2.79 0.00 0.00 35.95 39.78 2diy h PHE 29 CO -0.53 -0.57 0.56 0.93 -2.23 0.00 0.00 178.31 176.47 2diy h GLU 30 N -0.85 0.42 0.70 1.11 5.08 -0.23 -0.80 114.58 120.01 2diy h GLU 30 Ca -0.05 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 2diy h GLU 30 Cb 0.74 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.90 2diy h GLU 30 CO -0.05 0.28 -0.33 1.49 -1.00 0.00 0.00 179.01 179.39 2diy h GLU 31 N 0.43 -0.90 -0.64 2.33 4.81 0.29 -3.20 114.58 117.69 2diy h GLU 31 Ca 0.68 0.06 0.13 0.00 -0.13 0.00 0.00 59.36 60.10 2diy h GLU 31 Cb 1.43 0.20 -0.12 0.00 0.63 0.00 0.00 28.75 30.90 2diy h GLU 31 CO -0.55 -0.57 -0.12 1.25 -0.73 0.00 0.00 179.01 178.28 2diy h LEU 32 N -1.15 -0.52 -0.71 1.64 5.85 0.14 -1.18 115.31 119.37 2diy h LEU 32 Ca -0.10 0.19 0.14 0.00 0.84 0.00 0.00 57.88 58.95 2diy h LEU 32 Cb 0.74 0.37 -0.13 0.00 0.37 0.00 0.00 40.66 42.02 2diy h LEU 32 CO 0.16 -0.19 -0.20 0.18 -0.34 0.00 0.00 178.44 178.04 2diy n LEU 33 N -5.40 -0.30 0.32 2.25 4.77 -0.42 -0.11 117.00 118.10 2diy n LEU 33 Ca 0.08 1.23 -0.15 0.00 -0.03 0.00 0.00 56.01 57.14 2diy n LEU 33 Cb 0.35 -0.35 -0.08 0.00 -2.33 0.00 0.00 43.42 41.00 2diy n LEU 33 CO 0.05 -1.16 0.52 0.03 -1.33 0.00 0.00 177.39 175.50 2diy h ARG 34 N 0.00 -0.89 -0.28 3.23 3.08 -1.30 -0.30 114.38 117.92 2diy h ARG 34 Ca 0.32 0.06 0.07 0.00 0.07 0.00 0.00 59.98 60.50 2diy h ARG 34 Cb 0.50 0.20 -0.08 0.00 0.08 0.00 0.00 29.97 30.68 2diy h ARG 34 CO -0.73 -0.59 -0.27 -0.07 -1.07 0.00 0.00 179.97 177.24 2diy h LEU 35 N -0.92 -0.87 -3.73 3.04 3.38 -0.54 -0.76 115.31 114.91 2diy h LEU 35 Ca -0.08 0.15 -0.37 0.00 0.09 0.00 0.00 57.88 57.68 2diy h LEU 35 Cb 0.75 0.41 -0.15 0.00 0.09 0.00 0.00 40.66 41.76 2diy h LEU 35 CO 0.05 -0.30 0.41 0.29 0.09 0.00 0.00 178.44 178.98 2diy n LYS 36 N -5.39 1.96 0.01 1.13 4.76 0.81 -4.47 118.16 116.97 2diy n LYS 36 Ca -0.00 -1.78 -0.09 0.00 -2.87 0.00 0.00 58.31 53.56 2diy n LYS 36 Cb 0.31 -1.76 -0.07 0.00 -1.84 0.00 0.00 35.03 31.67 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 1.85 -0.13 -0.52 7.82 0.00 0.52 -3.35 119.26 125.45 2diy h ALA 37 Ca 0.32 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2diy h ALA 37 Cb 0.88 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2diy h ALA 37 CO 0.80 -0.18 0.24 0.87 0.00 0.00 0.00 179.25 180.99 2diy h LYS 38 N -0.92 0.75 -7.53 0.00 1.57 -1.81 0.55 116.57 109.19 2diy h LYS 38 Ca -0.01 -0.11 -0.42 0.00 -1.87 0.00 0.00 60.65 58.24 2diy h LYS 38 Cb 0.53 -0.13 0.19 0.00 0.08 0.00 0.00 32.23 32.90 2diy h LYS 38 CO 0.02 0.63 0.20 0.45 -0.57 0.00 0.00 179.45 180.19 2diy s SER 39 N -5.92 1.18 -0.17 0.86 0.15 -1.26 -4.75 113.70 103.80 2diy s SER 39 Ca -0.13 0.42 -0.10 0.00 0.70 0.00 0.00 55.95 56.84 2diy s SER 39 Cb 0.12 -0.52 -0.05 0.00 -1.71 0.00 0.00 66.02 63.86 2diy s SER 39 CO 0.77 -3.94 0.17 -0.22 1.20 0.00 0.00 173.24 171.22 2diy s LEU 40 N -6.75 4.27 -0.01 3.45 2.96 -1.26 -4.41 118.68 116.93 2diy s LEU 40 Ca 0.73 0.37 0.04 0.00 -0.22 0.00 0.00 54.13 55.05 2diy s LEU 40 Cb -0.06 -2.16 -0.03 0.00 0.50 0.00 0.00 46.19 44.44 2diy s LEU 40 CO 0.55 0.22 -0.10 -0.22 -1.32 0.00 0.00 176.35 175.48 2diy s LEU 41 N 0.01 2.98 -0.27 -0.68 2.96 -1.02 -0.96 118.68 121.70 2diy s LEU 41 Ca 0.12 -0.19 0.00 0.00 -0.22 0.00 0.00 54.13 53.84 2diy s LEU 41 Cb -0.12 -1.70 0.08 0.00 0.50 0.00 0.00 46.19 44.96 2diy s LEU 41 CO 0.01 0.30 0.03 -0.69 -1.32 0.00 0.00 176.35 174.68 2diy s VAL 42 N -0.91 1.29 -0.46 1.68 1.01 0.36 -2.32 120.40 121.04 2diy s VAL 42 Ca 0.15 -1.37 -0.15 0.00 0.00 0.00 0.00 61.98 60.60 2diy s VAL 42 Cb -0.11 -1.79 0.06 0.00 0.00 0.00 0.00 36.38 34.54 2diy s VAL 42 CO 0.05 -0.39 0.38 -0.69 0.00 0.00 0.00 175.10 174.45 2diy s VAL 43 N 1.45 5.23 -0.03 2.92 1.01 -0.96 -0.46 120.40 129.56 2diy s VAL 43 Ca 0.03 -1.01 -0.13 0.00 0.00 0.00 0.00 61.98 60.87 2diy s VAL 43 Cb -0.18 -4.09 -0.05 0.00 0.00 0.00 0.00 36.38 32.06 2diy s VAL 43 CO -0.13 -0.54 0.35 -2.28 0.00 0.00 0.00 175.10 172.50 2diy s HIS 44 N 1.64 3.69 -0.51 5.22 5.65 -0.88 -0.49 115.29 129.62 2diy s HIS 44 Ca 0.04 0.88 -0.16 0.00 0.25 0.00 0.00 55.06 56.07 2diy s HIS 44 Cb -0.23 -2.22 0.09 0.00 -1.18 0.00 0.00 32.58 29.04 2diy s HIS 44 CO 0.07 0.65 0.47 -0.06 -0.65 0.00 0.00 174.74 175.21 2diy s PHE 45 N -1.00 3.22 -0.11 3.88 0.40 0.18 -2.06 117.98 122.50 2diy s PHE 45 Ca 0.22 -1.04 -0.02 0.00 -0.60 0.00 0.00 56.93 55.49 2diy s PHE 45 Cb -0.16 -3.48 -0.03 0.00 0.51 0.00 0.00 43.02 39.87 2diy s PHE 45 CO 0.11 -0.92 -0.02 1.67 0.70 0.00 0.00 175.22 176.75 2diy s TRP 46 N 1.75 3.07 -0.06 0.36 1.48 -1.20 -3.38 118.94 120.96 2diy s TRP 46 Ca 0.05 -0.01 0.02 0.00 -1.06 0.00 0.00 56.10 55.10 2diy s TRP 46 Cb -0.26 -1.84 -0.03 0.00 -1.16 0.00 0.00 33.47 30.18 2diy s TRP 46 CO 0.06 0.26 -0.12 0.00 -4.06 0.00 0.00 176.95 173.09 2diy s ALA 47 N -0.39 2.76 -2.00 2.67 0.00 -1.26 -2.84 121.76 120.69 2diy s ALA 47 Ca 0.07 -0.94 0.12 0.00 0.00 0.00 0.00 51.96 51.21 2diy s ALA 47 Cb -0.12 -1.07 0.73 0.00 0.00 0.00 0.00 23.12 22.66 2diy s ALA 47 CO 0.02 0.53 1.16 -0.35 0.00 0.00 0.00 175.76 177.12 2diy n PRO 48 N 2.40 0.49 0.00 0.00 -0.04 -1.26 -3.44 135.00 133.15 2diy n PRO 48 Ca -0.17 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.26 2diy n PRO 48 Cb 0.52 -1.39 -0.01 0.00 -0.04 0.00 0.00 33.50 32.59 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 -0.89 0.00 -1.69 0.54 4.27 -1.26 -5.01 117.44 113.40 2diy n TRP 49 Ca 0.09 0.00 -0.51 0.00 -3.89 0.00 0.00 57.50 53.19 2diy n TRP 49 Cb 0.04 -0.09 -0.05 0.00 -1.36 0.00 0.00 31.31 29.85 2diy n TRP 49 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2diy n ALA 50 N -3.27 0.58 0.81 -1.67 0.00 -1.22 -4.81 120.51 110.92 2diy n ALA 50 Ca -0.04 0.31 0.08 0.00 0.00 0.00 0.00 53.44 53.78 2diy n ALA 50 Cb 0.39 -2.42 0.41 0.00 0.00 0.00 0.00 19.45 17.83 2diy n ALA 50 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2diy n PRO 51 N 6.34 0.32 0.11 0.00 -0.04 -1.26 -3.44 135.00 137.03 2diy n PRO 51 Ca 0.24 0.09 -0.06 0.00 -0.04 0.00 0.00 63.50 63.73 2diy n PRO 51 Cb 0.25 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.18 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 -0.35 -1.49 0.54 4.20 -1.93 -3.24 115.11 112.84 2diy h GLN 52 Ca 0.00 0.02 0.45 0.00 0.06 0.00 0.00 58.65 59.18 2diy h GLN 52 Cb 0.08 0.08 -0.07 0.00 0.30 0.00 0.00 27.48 27.87 2diy h GLN 52 CO 0.00 -0.23 1.06 0.00 -0.67 0.00 0.00 178.83 178.98 2diy n ALA 54 N -2.70 0.00 0.11 0.00 0.00 -1.22 0.14 120.51 116.83 2diy n ALA 54 Ca 0.35 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.66 2diy n ALA 54 Cb 1.55 0.48 -0.08 0.00 0.00 0.00 0.00 19.45 21.40 2diy n ALA 54 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2diy h GLN 55 N 0.00 -0.27 -1.61 0.00 3.07 -1.49 -2.93 115.11 111.88 2diy h GLN 55 Ca 0.00 0.02 0.51 0.00 0.09 0.00 0.00 58.65 59.27 2diy h GLN 55 Cb 0.00 0.06 -0.11 0.00 0.08 0.00 0.00 27.48 27.51 2diy h GLN 55 CO 0.00 0.03 1.10 0.52 0.09 0.00 0.00 178.83 180.57 2diy h MET 56 N -0.59 0.01 0.19 0.06 2.86 -1.43 -0.17 114.93 115.87 2diy h MET 56 Ca -0.03 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 2diy h MET 56 Cb 0.43 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.09 2diy h MET 56 CO 0.05 0.01 -0.09 -0.97 1.06 0.00 0.00 176.91 176.96 2diy h ASN 57 N 0.01 -0.22 -1.09 1.22 -1.24 -0.11 -2.76 115.58 111.40 2diy h ASN 57 Ca 0.89 0.01 0.30 0.00 0.71 0.00 0.00 56.30 58.21 2diy h ASN 57 Cb 3.17 0.06 -0.10 0.00 0.73 0.00 0.00 38.32 42.18 2diy h ASN 57 CO -0.27 -0.11 0.71 1.05 -1.29 0.00 0.00 177.43 177.51 2diy h GLU 58 N -0.35 0.31 -0.99 6.67 4.11 -1.11 0.40 114.58 123.63 2diy h GLU 58 Ca -0.03 -0.02 0.01 0.00 0.07 0.00 0.00 59.36 59.39 2diy h GLU 58 Cb 0.20 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.33 2diy h GLU 58 CO 0.04 0.21 0.65 0.28 0.07 0.00 0.00 179.01 180.26 2diy h VAL 59 N 0.32 1.26 0.69 -1.06 2.07 -1.16 -2.85 116.25 115.53 2diy h VAL 59 Ca 0.63 -0.49 -0.03 0.00 0.82 0.00 0.00 66.70 67.63 2diy h VAL 59 Cb 1.72 -0.19 0.01 0.00 -1.52 0.00 0.00 31.29 31.30 2diy h VAL 59 CO -0.31 0.25 -0.33 0.24 0.02 0.00 0.00 177.57 177.44 2diy h MET 60 N 1.35 -0.90 -0.98 1.57 2.86 0.10 -2.49 114.93 116.43 2diy h MET 60 Ca 0.36 0.06 0.41 0.00 -2.06 0.00 0.00 59.70 58.48 2diy h MET 60 Cb -0.14 0.20 -0.18 0.00 0.06 0.00 0.00 31.60 31.55 2diy h MET 60 CO -0.08 -0.59 0.53 0.00 1.06 0.00 0.00 176.91 177.83 2diy n ALA 61 N -2.70 1.01 -0.03 6.32 0.00 -1.02 0.20 120.51 124.30 2diy n ALA 61 Ca -0.12 1.00 -0.12 0.00 0.00 0.00 0.00 53.44 54.21 2diy n ALA 61 Cb 0.37 -1.00 0.02 0.00 0.00 0.00 0.00 19.45 18.84 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 0.69 -0.00 0.00 5.08 -1.43 -3.08 114.58 115.85 2diy h GLU 62 Ca 0.84 -0.43 -0.00 0.00 -1.00 0.00 0.00 59.36 58.76 2diy h GLU 62 Cb 2.21 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 31.51 2diy h GLU 62 CO -0.76 1.05 -0.00 -0.07 -1.00 0.00 0.00 179.01 178.23 2diy h LEU 63 N 0.54 0.01 -0.67 1.33 3.38 0.28 -2.16 115.31 118.02 2diy h LEU 63 Ca 0.01 -0.51 0.13 0.00 0.09 0.00 0.00 57.88 57.61 2diy h LEU 63 Cb 1.11 -0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.73 2diy h LEU 63 CO 0.11 0.52 -0.15 0.00 0.09 0.00 0.00 178.44 179.01 2diy h ALA 64 N 0.49 0.46 -0.15 1.53 0.00 -0.60 0.24 119.26 121.23 2diy h ALA 64 Ca 0.00 0.25 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 2diy h ALA 64 Cb 0.52 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 2diy h ALA 64 CO 0.00 -0.42 0.02 1.57 0.00 0.00 0.00 179.25 180.42 2diy h LYS 65 N 0.01 0.26 -0.56 0.00 2.10 -1.57 -3.08 116.57 113.73 2diy h LYS 65 Ca 0.32 -0.07 0.09 0.00 -2.00 0.00 0.00 60.65 58.99 2diy h LYS 65 Cb 0.50 -0.03 -0.07 0.00 -0.90 0.00 0.00 32.23 31.73 2diy h LYS 65 CO -0.68 0.44 0.18 1.49 -2.00 0.00 0.00 179.45 178.89 2diy h GLU 66 N 0.03 0.34 -3.94 0.07 4.57 -0.49 -3.33 114.58 111.83 2diy h GLU 66 Ca 0.05 -0.02 -0.65 0.00 -1.18 0.00 0.00 59.36 57.55 2diy h GLU 66 Cb 0.31 -0.08 -0.40 0.00 -0.16 0.00 0.00 28.75 28.43 2diy h GLU 66 CO 0.00 0.22 -0.64 -0.51 -1.18 0.00 0.00 179.01 176.91 2diy s LEU 67 N -10.41 4.60 0.39 1.64 1.43 0.71 -4.94 118.68 112.10 2diy s LEU 67 Ca -0.13 -2.64 0.18 0.00 -1.03 0.00 0.00 54.13 50.51 2diy s LEU 67 Cb 0.16 -1.66 0.80 0.00 0.03 0.00 0.00 46.19 45.51 2diy s LEU 67 CO 0.74 -0.31 1.80 1.55 0.23 0.00 0.00 176.35 180.36 2diy h PRO 68 N 7.03 0.00 -0.34 1.29 0.13 -1.66 -2.97 132.00 135.47 2diy h PRO 68 Ca -0.06 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.05 2diy h PRO 68 Cb 0.95 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.06 2diy h PRO 68 CO 0.63 0.35 0.13 -0.56 -0.23 0.00 0.00 178.00 178.32 2diy h GLN 69 N 0.00 0.48 -7.17 0.86 3.07 -1.92 -3.43 115.11 107.00 2diy h GLN 69 Ca -0.00 -0.06 -0.47 0.00 0.09 0.00 0.00 58.65 58.21 2diy h GLN 69 Cb 0.76 -0.09 0.01 0.00 0.08 0.00 0.00 27.48 28.23 2diy h GLN 69 CO 0.05 0.40 0.37 0.08 0.09 0.00 0.00 178.83 179.82 2diy s VAL 70 N -5.23 4.50 -0.36 1.86 1.01 -1.12 -4.53 120.40 116.53 2diy s VAL 70 Ca -0.08 1.26 0.00 0.00 0.00 0.00 0.00 61.98 63.17 2diy s VAL 70 Cb 0.17 -3.70 0.10 0.00 0.00 0.00 0.00 36.38 32.94 2diy s VAL 70 CO 0.74 -0.63 0.10 -0.44 0.00 0.00 0.00 175.10 174.88 2diy s SER 71 N -2.92 4.98 -0.16 3.32 0.01 -0.13 -5.00 113.70 113.80 2diy s SER 71 Ca 0.59 -1.97 -0.19 0.00 1.31 0.00 0.00 55.95 55.70 2diy s SER 71 Cb -0.10 -1.72 -0.04 0.00 0.21 0.00 0.00 66.02 64.37 2diy s SER 71 CO 0.28 -0.43 0.52 -0.36 0.41 0.00 0.00 173.24 173.66 2diy s PHE 72 N 1.06 3.44 -0.06 2.43 0.40 -1.26 -0.49 117.98 123.49 2diy s PHE 72 Ca 0.07 0.86 -0.01 0.00 -0.60 0.00 0.00 56.93 57.25 2diy s PHE 72 Cb -0.21 -2.64 0.03 0.00 0.51 0.00 0.00 43.02 40.71 2diy s PHE 72 CO -0.05 0.01 -0.01 0.14 0.70 0.00 0.00 175.22 176.01 2diy s VAL 73 N 1.20 0.42 -0.17 -0.44 -7.23 0.40 -1.74 120.40 112.85 2diy s VAL 73 Ca 0.26 0.05 -0.11 0.00 -1.81 0.00 0.00 61.98 60.37 2diy s VAL 73 Cb -0.15 -0.54 -0.05 0.00 0.56 0.00 0.00 36.38 36.19 2diy s VAL 73 CO 0.10 0.25 0.20 -1.59 -0.31 0.00 0.00 175.10 173.75 2diy s LYS 74 N 1.68 4.11 -0.10 4.82 -2.85 -0.38 -2.08 119.74 124.92 2diy s LYS 74 Ca 0.01 -0.07 0.01 0.00 -1.00 0.00 0.00 55.97 54.91 2diy s LYS 74 Cb -0.13 -3.39 0.02 0.00 -2.06 0.00 0.00 37.83 32.28 2diy s LYS 74 CO -0.04 0.35 -0.12 -1.17 0.10 0.00 0.00 175.35 174.47 2diy s LEU 75 N 0.17 1.54 -0.04 2.77 0.20 -0.87 -1.42 118.68 121.03 2diy s LEU 75 Ca 0.12 -0.37 -0.30 0.00 0.69 0.00 0.00 54.13 54.28 2diy s LEU 75 Cb -0.12 -0.96 -0.05 0.00 -0.43 0.00 0.00 46.19 44.63 2diy s LEU 75 CO 0.01 -0.03 1.45 -0.70 -0.29 0.00 0.00 176.35 176.80 2diy s GLU 76 N 1.18 4.24 0.31 1.98 2.12 -1.26 -3.28 118.70 123.99 2diy s GLU 76 Ca -0.04 1.98 0.01 0.00 0.36 0.00 0.00 54.97 57.28 2diy s GLU 76 Cb -0.14 -3.72 0.55 0.00 0.26 0.00 0.00 34.13 31.08 2diy s GLU 76 CO -0.03 -0.67 1.92 0.00 -0.54 0.00 0.00 175.26 175.93 2diy h ALA 77 N 8.36 1.53 0.00 6.30 0.00 -1.83 0.17 119.26 133.79 2diy h ALA 77 Ca -0.36 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.34 2diy h ALA 77 Cb 1.17 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 2diy h ALA 77 CO 0.93 0.34 -1.10 0.93 0.00 0.00 0.00 179.25 180.35 2diy h GLU 78 N 1.00 0.00 0.09 0.00 3.07 -1.91 -3.33 114.58 113.51 2diy h GLU 78 Ca 0.38 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.24 2diy h GLU 78 Cb 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.11 2diy h GLU 78 CO -0.14 0.56 -0.04 0.78 -1.40 0.00 0.00 179.01 178.77 2diy h GLY 79 N 3.44 -0.13 -7.22 -3.84 0.00 -1.71 -3.39 103.07 90.22 2diy h GLY 79 Ca -0.10 0.05 -0.69 0.00 0.00 0.00 0.00 47.33 46.59 2diy h GLY 79 CO 0.08 -0.05 -0.15 -0.62 0.00 0.00 0.00 176.54 175.80 2diy n VAL 80 N -4.86 2.87 -0.11 4.60 0.31 0.52 -4.89 118.33 116.77 2diy n VAL 80 Ca -0.08 -5.11 -0.13 0.00 -0.01 0.00 0.00 64.34 59.01 2diy n VAL 80 Cb 0.29 -2.33 -0.03 0.00 -0.91 0.00 0.00 33.84 30.86 2diy n VAL 80 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2diy h PRO 81 N 5.80 0.86 -1.00 5.55 0.13 -1.76 -3.17 132.00 138.41 2diy h PRO 81 Ca 0.16 -0.45 0.19 0.00 -0.87 0.00 0.00 66.00 65.03 2diy h PRO 81 Cb 0.79 0.02 -0.18 0.00 0.13 0.00 0.00 31.00 31.75 2diy h PRO 81 CO 0.85 1.10 -0.28 1.05 -0.23 0.00 0.00 178.00 180.49 2diy h GLU 82 N 0.66 -0.00 0.50 0.86 4.11 -1.92 0.70 114.58 119.49 2diy h GLU 82 Ca 0.06 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.46 2diy h GLU 82 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.20 2diy h GLU 82 CO 0.09 -0.00 -0.24 0.28 0.07 0.00 0.00 179.01 179.21 2diy h VAL 83 N -0.00 0.28 -0.99 -1.06 2.07 -1.97 -3.01 116.25 111.57 2diy h VAL 83 Ca 0.45 -0.48 0.35 0.00 0.82 0.00 0.00 66.70 67.84 2diy h VAL 83 Cb 0.70 0.41 -0.18 0.00 -1.52 0.00 0.00 31.29 30.70 2diy h VAL 83 CO -1.02 0.05 0.33 0.28 0.02 0.00 0.00 177.57 177.23 2diy h SER 84 N -1.05 0.01 0.71 0.57 0.02 -1.17 0.17 113.55 112.82 2diy h SER 84 Ca -0.07 0.26 -0.03 0.00 -0.84 0.00 0.00 61.79 61.10 2diy h SER 84 Cb 0.60 0.34 0.01 0.00 0.14 0.00 0.00 62.40 63.49 2diy h SER 84 CO 0.11 -0.37 -0.34 -0.33 -1.14 0.00 0.00 176.83 174.77 2diy h GLU 85 N 0.04 -0.92 -0.70 3.45 4.39 -0.89 1.27 114.58 121.22 2diy h GLU 85 Ca 0.73 0.06 0.07 0.00 0.34 0.00 0.00 59.36 60.56 2diy h GLU 85 Cb 1.75 0.21 -0.09 0.00 -0.10 0.00 0.00 28.75 30.52 2diy h GLU 85 CO -0.81 -0.60 -0.50 -0.22 -1.16 0.00 0.00 179.01 175.72 2diy h LYS 86 N -0.97 -0.10 0.00 2.33 3.64 -0.53 0.59 116.57 121.53 2diy h LYS 86 Ca -0.10 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 2diy h LYS 86 Cb 0.73 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 2diy h LYS 86 CO 0.16 -0.07 0.00 0.66 -2.27 0.00 0.00 179.45 177.93 2diy n TYR 87 N -4.95 0.81 -3.25 1.91 4.02 -1.01 -4.92 117.16 109.78 2diy n TYR 87 Ca 0.00 0.27 -0.16 0.00 -0.01 0.00 0.00 57.90 57.99 2diy n TYR 87 Cb 0.24 -0.93 0.06 0.00 -0.02 0.00 0.00 39.34 38.69 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 -2.19 -5.61 -2.45 -0.72 1.02 0.40 -4.91 120.64 106.17 2diy n GLU 88 Ca 0.04 0.60 -0.38 0.00 -0.02 0.00 0.00 57.16 57.40 2diy n GLU 88 Cb 0.35 -4.95 -0.03 0.00 -0.02 0.00 0.00 31.44 26.79 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 3.82 -0.53 -3.67 -1.09 0.10 -4.80 121.20 111.80 2diy s ILE 89 Ca 0.35 -0.63 0.01 0.00 -2.23 0.00 0.00 60.65 58.15 2diy s ILE 89 Cb -0.15 -4.84 0.46 0.00 -1.58 0.00 0.00 42.46 36.35 2diy s ILE 89 CO 0.53 -1.73 1.73 -0.24 -1.23 0.00 0.00 174.94 174.00 2diy n SER 90 N 9.95 6.55 -3.66 3.58 2.88 -1.26 -4.88 113.62 126.77 2diy n SER 90 Ca 0.33 -3.77 -0.11 0.00 -1.33 0.00 0.00 58.87 53.99 2diy n SER 90 Cb 0.50 -0.75 -0.08 0.00 -0.75 0.00 0.00 64.21 63.13 2diy n SER 90 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2diy s SER 91 N -2.45 -0.72 0.00 -3.46 1.04 -1.26 -5.17 113.70 101.68 2diy s SER 91 Ca 0.60 1.29 -0.09 0.00 0.48 0.00 0.00 55.95 58.22 2diy s SER 91 Cb 0.47 1.24 0.00 0.00 0.10 0.00 0.00 66.02 67.84 2diy s SER 91 CO 0.01 -0.22 0.17 0.68 0.98 0.00 0.00 173.24 174.86 2diy s VAL 92 N 0.83 0.08 0.83 5.02 -7.23 -1.26 -4.15 120.40 114.52 2diy s VAL 92 Ca -0.04 -0.68 -0.11 0.00 -1.81 0.00 0.00 61.98 59.34 2diy s VAL 92 Cb -0.05 -0.51 0.09 0.00 0.56 0.00 0.00 36.38 36.47 2diy s VAL 92 CO -0.07 -0.38 1.09 -2.16 -0.31 0.00 0.00 175.10 173.28 2diy s PRO 93 N -1.50 1.76 -0.29 4.82 0.04 -1.26 -4.85 135.00 133.72 2diy s PRO 93 Ca -0.14 1.00 -0.14 0.00 0.04 0.00 0.00 61.00 61.76 2diy s PRO 93 Cb -0.07 -1.85 0.10 0.00 0.04 0.00 0.00 34.50 32.72 2diy s PRO 93 CO 0.02 -1.94 0.72 0.99 0.04 0.00 0.00 177.00 176.83 2diy s THR 94 N -2.92 -0.29 -0.01 1.26 2.01 -1.22 -1.65 115.64 112.82 2diy s THR 94 Ca 0.62 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.63 2diy s THR 94 Cb -0.18 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.30 2diy s THR 94 CO 0.56 0.00 0.02 -0.36 -0.69 0.00 0.00 174.62 174.16 2diy s PHE 95 N 1.98 3.14 -0.23 4.92 0.40 0.99 0.49 117.98 129.67 2diy s PHE 95 Ca -0.09 0.13 -0.01 0.00 -0.60 0.00 0.00 56.93 56.37 2diy s PHE 95 Cb -0.07 -1.70 0.07 0.00 0.51 0.00 0.00 43.02 41.83 2diy s PHE 95 CO -0.19 0.49 0.01 -0.51 0.70 0.00 0.00 175.22 175.72 2diy s LEU 96 N -1.51 1.98 -0.32 -0.37 1.43 0.36 -0.28 118.68 119.98 2diy s LEU 96 Ca 0.19 -1.13 -0.27 0.00 -1.03 0.00 0.00 54.13 51.89 2diy s LEU 96 Cb -0.12 -0.89 0.01 0.00 0.03 0.00 0.00 46.19 45.23 2diy s LEU 96 CO 0.10 -0.30 0.97 -0.36 0.23 0.00 0.00 176.35 176.99 2diy s PHE 97 N 1.62 3.17 -0.19 0.29 0.40 -0.26 -2.27 117.98 120.74 2diy s PHE 97 Ca -0.01 1.06 -0.04 0.00 -0.60 0.00 0.00 56.93 57.35 2diy s PHE 97 Cb -0.18 -3.53 -0.02 0.00 0.51 0.00 0.00 43.02 39.81 2diy s PHE 97 CO -0.10 -0.70 -0.04 -0.06 0.70 0.00 0.00 175.22 175.02 2diy s PHE 98 N 3.41 2.97 -0.20 0.36 0.08 -0.98 -2.52 117.98 121.10 2diy s PHE 98 Ca 0.41 -0.60 0.01 0.00 0.12 0.00 0.00 56.93 56.87 2diy s PHE 98 Cb -0.13 -2.02 0.04 0.00 -0.57 0.00 0.00 43.02 40.34 2diy s PHE 98 CO 0.14 -0.29 -0.13 0.21 -0.10 0.00 0.00 175.22 175.06 2diy s LYS 99 N 0.90 2.25 -1.30 0.44 2.47 0.05 -2.42 119.74 122.13 2diy s LYS 99 Ca -0.00 -0.86 -0.06 0.00 -1.56 0.00 0.00 55.97 53.49 2diy s LYS 99 Cb -0.15 -2.45 0.01 0.00 -1.46 0.00 0.00 37.83 33.78 2diy s LYS 99 CO 0.01 -0.38 0.76 0.09 0.16 0.00 0.00 175.35 176.00 2diy n ASN 100 N 4.66 -5.73 -2.19 1.43 3.02 0.19 -2.13 115.26 114.50 2diy n ASN 100 Ca -0.16 -0.35 -0.15 0.00 -0.03 0.00 0.00 54.58 53.89 2diy n ASN 100 Cb 0.47 -4.47 0.03 0.00 -0.61 0.00 0.00 39.78 35.20 2diy n ASN 100 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2diy n SER 101 N -2.22 -4.66 -3.68 6.41 2.88 -1.26 -5.00 113.62 106.10 2diy n SER 101 Ca -0.05 -0.23 -0.10 0.00 -1.33 0.00 0.00 58.87 57.15 2diy n SER 101 Cb 0.58 -3.45 -0.10 0.00 -0.75 0.00 0.00 64.21 60.49 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 -5.45 0.34 -0.12 -1.46 -0.21 -0.91 -5.12 119.66 106.73 2diy s GLN 102 Ca 0.25 0.89 -0.29 0.00 0.02 0.00 0.00 55.36 56.22 2diy s GLN 102 Cb -0.11 0.12 -0.05 0.00 1.00 0.00 0.00 33.01 33.98 2diy s GLN 102 CO 0.31 -0.21 1.73 0.21 -2.12 0.00 0.00 175.29 175.21 2diy s LYS 103 N 1.99 3.93 -0.12 2.91 2.20 -1.26 -0.77 119.74 128.61 2diy s LYS 103 Ca -0.05 2.01 0.14 0.00 -0.36 0.00 0.00 55.97 57.71 2diy s LYS 103 Cb -0.10 -4.06 -0.20 0.00 -1.51 0.00 0.00 37.83 31.96 2diy s LYS 103 CO -0.12 -1.15 0.12 0.44 -0.36 0.00 0.00 175.35 174.28 2diy n ILE 104 N 6.06 0.78 -3.56 5.43 -5.35 -1.05 -4.95 119.36 116.72 2diy n ILE 104 Ca 0.19 -0.57 -0.13 0.00 -0.27 0.00 0.00 62.75 61.98 2diy n ILE 104 Cb 0.44 -0.43 -0.05 0.00 -1.74 0.00 0.00 39.64 37.86 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 -4.60 -0.41 -0.02 7.28 2.15 -1.23 -5.08 116.67 114.75 2diy s ASP 105 Ca -0.07 0.03 -0.10 0.00 0.43 0.00 0.00 52.55 52.84 2diy s ASP 105 Cb 0.06 0.51 0.01 0.00 -0.30 0.00 0.00 42.92 43.20 2diy s ASP 105 CO 0.62 -0.80 0.22 -0.60 -0.17 0.00 0.00 175.17 174.44 2diy s ARG 106 N -3.00 0.50 -0.21 4.34 3.00 -1.26 -1.10 118.95 121.21 2diy s ARG 106 Ca -0.02 -0.17 0.02 0.00 -1.00 0.00 0.00 55.73 54.56 2diy s ARG 106 Cb -0.00 0.22 0.04 0.00 0.00 0.00 0.00 34.95 35.20 2diy s ARG 106 CO -0.06 -0.12 -0.15 -1.17 0.00 0.00 0.00 175.30 173.80 2diy s LEU 107 N -1.02 2.56 -0.19 -0.88 0.20 0.62 -4.99 118.68 114.97 2diy s LEU 107 Ca -0.11 -0.93 -0.08 0.00 0.69 0.00 0.00 54.13 53.69 2diy s LEU 107 Cb -0.05 -1.43 -0.04 0.00 -0.43 0.00 0.00 46.19 44.23 2diy s LEU 107 CO 0.02 -0.10 0.09 -0.62 -0.29 0.00 0.00 176.35 175.45 2diy s ASP 108 N 1.27 5.83 0.00 3.68 -1.08 -1.26 -0.00 116.67 125.10 2diy s ASP 108 Ca -0.01 0.12 0.00 0.00 -0.52 0.00 0.00 52.55 52.14 2diy s ASP 108 Cb -0.16 -2.01 0.00 0.00 -1.46 0.00 0.00 42.92 39.29 2diy s ASP 108 CO -0.09 0.16 0.00 0.61 0.52 0.00 0.00 175.17 176.37 2diy n GLY 109 N 3.62 2.39 3.54 2.66 0.00 -0.66 -4.88 105.19 111.86 2diy n GLY 109 Ca -0.16 -1.88 -0.41 0.00 0.00 0.00 0.00 46.02 43.56 2diy n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2diy s ALA 110 N -2.82 2.81 -0.22 4.61 0.00 -1.26 -4.60 121.76 120.28 2diy s ALA 110 Ca 0.00 -1.98 0.02 0.00 0.00 0.00 0.00 51.96 50.00 2diy s ALA 110 Cb 0.00 -4.35 0.05 0.00 0.00 0.00 0.00 23.12 18.82 2diy s ALA 110 CO 0.00 -3.40 -0.12 -1.01 0.00 0.00 0.00 175.76 171.24 2diy s HIS 111 N 4.98 2.80 -0.01 0.00 3.76 -1.26 -5.02 115.29 120.54 2diy s HIS 111 Ca 0.40 -1.90 -0.23 0.00 -0.15 0.00 0.00 55.06 53.18 2diy s HIS 111 Cb -0.04 -1.79 -0.13 0.00 1.11 0.00 0.00 32.58 31.72 2diy s HIS 111 CO -0.00 -0.81 0.98 0.00 -0.85 0.00 0.00 174.74 174.06 2diy h ALA 112 N 7.89 -0.65 -0.02 -1.40 0.00 -2.00 -2.98 119.26 120.09 2diy h ALA 112 Ca -0.26 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 2diy h ALA 112 Cb 1.08 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 2diy h ALA 112 CO 0.49 -0.65 -0.02 -1.00 0.00 0.00 0.00 179.25 178.07 2diy h PRO 113 N -1.08 0.04 -0.83 0.00 0.13 -2.01 -3.19 132.00 125.06 2diy h PRO 113 Ca -0.07 -0.02 0.21 0.00 -0.87 0.00 0.00 66.00 65.25 2diy h PRO 113 Cb 0.57 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 31.57 2diy h PRO 113 CO 0.11 0.52 0.16 1.49 -0.23 0.00 0.00 178.00 180.05 2diy h GLU 114 N -0.44 0.18 0.32 0.86 4.81 -1.99 -2.08 114.58 116.25 2diy h GLU 114 Ca 0.00 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 2diy h GLU 114 Cb 0.51 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.84 2diy h GLU 114 CO 0.00 0.12 -0.23 1.25 -0.73 0.00 0.00 179.01 179.43 2diy h LEU 115 N 0.19 -0.59 -0.93 1.64 5.85 -1.55 -2.76 115.31 117.17 2diy h LEU 115 Ca 0.50 0.04 0.17 0.00 0.84 0.00 0.00 57.88 59.43 2diy h LEU 115 Cb 0.95 0.18 -0.17 0.00 0.37 0.00 0.00 40.66 42.00 2diy h LEU 115 CO -0.65 -0.33 -0.28 0.41 -0.34 0.00 0.00 178.44 177.26 2diy n THR 116 N -3.71 -0.42 -0.03 1.05 -1.04 -0.84 -0.71 114.28 108.58 2diy n THR 116 Ca -0.06 2.14 -0.12 0.00 -2.04 0.00 0.00 64.05 63.97 2diy n THR 116 Cb 0.22 -2.91 -0.08 0.00 -1.82 0.00 0.00 70.33 65.74 2diy n THR 116 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 2diy h LYS 117 N 0.00 -0.42 -0.85 -2.82 1.57 -1.25 0.95 116.57 113.76 2diy h LYS 117 Ca 0.40 0.03 0.11 0.00 -1.87 0.00 0.00 60.65 59.32 2diy h LYS 117 Cb 0.63 0.10 -0.08 0.00 0.08 0.00 0.00 32.23 32.96 2diy h LYS 117 CO -0.94 -0.28 0.48 0.87 -0.57 0.00 0.00 179.45 179.01 2diy h LYS 118 N -0.44 0.74 0.09 3.15 1.57 -0.63 0.07 116.57 121.13 2diy h LYS 118 Ca 0.03 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.79 2diy h LYS 118 Cb 0.53 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.64 2diy h LYS 118 CO -0.37 0.49 -0.24 0.28 -0.57 0.00 0.00 179.45 179.04 2diy h VAL 119 N 0.77 0.46 0.18 0.50 2.07 0.27 0.12 116.25 120.62 2diy h VAL 119 Ca 0.43 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.94 2diy h VAL 119 Cb 0.46 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 2diy h VAL 119 CO -0.28 0.00 -0.09 1.56 0.02 0.00 0.00 177.57 178.78 2diy h GLN 120 N -0.43 -0.23 0.14 1.57 4.20 -0.30 0.25 115.11 120.30 2diy h GLN 120 Ca 0.04 0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.77 2diy h GLN 120 Cb 0.46 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.26 2diy h GLN 120 CO -0.15 -0.07 -0.43 -0.09 -0.67 0.00 0.00 178.83 177.42 2diy h ARG 121 N -0.34 -0.61 -0.55 1.46 2.43 -0.84 -2.51 114.38 113.41 2diy h ARG 121 Ca -0.02 0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.23 2diy h ARG 121 Cb 0.27 0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.91 2diy h ARG 121 CO 0.04 -0.41 0.31 0.45 -1.51 0.00 0.00 179.97 178.85 2diy h HIS 122 N -0.64 0.56 -1.51 2.20 3.86 -0.78 -1.93 115.15 116.92 2diy h HIS 122 Ca -0.01 0.02 0.49 0.00 -1.16 0.00 0.00 60.37 59.71 2diy h HIS 122 Cb 0.63 -0.17 -0.12 0.00 1.06 0.00 0.00 27.41 28.80 2diy h HIS 122 CO -0.40 0.29 1.01 0.00 0.86 0.00 0.00 177.93 179.69 2diy h ALA 123 N 1.28 3.07 -1.21 2.45 0.00 -0.06 -3.40 119.26 121.39 2diy h ALA 123 Ca 0.24 0.08 0.17 0.00 0.00 0.00 0.00 54.91 55.40 2diy h ALA 123 Cb 0.11 0.21 -0.31 0.00 0.00 0.00 0.00 17.79 17.80 2diy h ALA 123 CO -0.14 -1.71 0.60 0.45 0.00 0.00 0.00 179.25 178.45 2diy s SER 124 N -4.26 -0.24 0.06 0.00 0.15 -0.73 -4.95 113.70 103.73 2diy s SER 124 Ca -0.07 0.37 -0.25 0.00 0.70 0.00 0.00 55.95 56.71 2diy s SER 124 Cb 0.30 1.11 -0.17 0.00 -1.71 0.00 0.00 66.02 65.54 2diy s SER 124 CO 0.84 -0.06 1.58 0.77 1.20 0.00 0.00 173.24 177.58 2diy h SER 125 N 5.57 -0.11 0.00 5.45 4.64 -1.78 -3.42 113.55 123.90 2diy h SER 125 Ca -0.26 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 2diy h SER 125 Cb 1.17 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2diy h SER 125 CO 0.21 0.05 0.00 0.61 -0.87 0.00 0.00 176.83 176.83 2diy n GLY 126 N -0.79 2.06 0.00 -0.77 0.00 -1.26 -4.81 105.19 99.62 2diy n GLY 126 Ca -0.08 -1.47 0.08 0.00 0.00 0.00 0.00 46.02 44.55 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 2.35 0.36 -2.86 1.61 -0.04 -1.26 -3.27 135.00 131.89 2diy n PRO 127 Ca 0.00 0.07 -0.43 0.00 -0.04 0.00 0.00 63.50 63.09 2diy n PRO 127 Cb 0.00 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 31.94 2diy n PRO 127 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2diy s SER 128 N -2.26 6.66 -1.31 3.54 0.01 -1.26 -4.27 113.70 114.82 2diy s SER 128 Ca 0.19 -2.06 -0.06 0.00 1.31 0.00 0.00 55.95 55.33 2diy s SER 128 Cb 0.10 -2.43 0.01 0.00 0.21 0.00 0.00 66.02 63.91 2diy s SER 128 CO 0.20 -1.10 1.13 -1.20 0.41 0.00 0.00 173.24 172.68 2diy n SER 129 N 6.88 -5.04 0.00 2.44 7.64 -1.26 -5.19 113.62 119.10 2diy n SER 129 Ca 0.28 -0.56 0.00 0.00 1.01 0.00 0.00 58.87 59.59 2diy n SER 129 Cb 0.49 -5.06 0.00 0.00 -1.01 0.00 0.00 64.21 58.62 2diy n SER 129 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64