#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2diy s SER 2 N 0.00 -0.25 0.29 1.61 1.04 -1.26 -5.19 113.70 109.94 2diy s SER 2 Ca 0.00 0.45 -0.21 0.00 0.48 0.00 0.00 55.95 56.67 2diy s SER 2 Cb 0.00 0.67 0.02 0.00 0.10 0.00 0.00 66.02 66.81 2diy s SER 2 CO 0.00 -0.08 0.73 -0.94 0.98 0.00 0.00 173.24 173.93 2diy s SER 3 N 0.47 -0.24 0.29 7.02 1.04 -1.26 -5.18 113.70 115.85 2diy s SER 3 Ca 0.01 -0.66 0.09 0.00 0.48 0.00 0.00 55.95 55.87 2diy s SER 3 Cb -0.04 0.74 -0.04 0.00 0.10 0.00 0.00 66.02 66.77 2diy s SER 3 CO -0.12 -1.38 0.03 -0.83 0.98 0.00 0.00 173.24 171.92 2diy s GLY 4 N -2.93 1.77 0.13 7.32 0.00 -1.26 -5.14 107.32 107.20 2diy s GLY 4 Ca 0.11 -1.73 -0.24 0.00 0.00 0.00 0.00 44.72 42.86 2diy s GLY 4 CO 0.07 -1.75 0.66 -0.56 0.00 0.00 0.00 173.10 171.52 2diy s SER 5 N -3.71 -0.52 0.28 1.64 0.01 -1.26 -5.19 113.70 104.95 2diy s SER 5 Ca 0.33 -0.01 -0.15 0.00 1.31 0.00 0.00 55.95 57.43 2diy s SER 5 Cb -0.05 0.56 0.01 0.00 0.21 0.00 0.00 66.02 66.75 2diy s SER 5 CO 0.20 -0.91 0.60 -0.44 0.41 0.00 0.00 173.24 173.11 2diy s SER 6 N -2.70 -0.06 0.00 2.44 0.01 -1.26 -5.12 113.70 107.00 2diy s SER 6 Ca 0.02 -0.89 0.00 0.00 1.31 0.00 0.00 55.95 56.39 2diy s SER 6 Cb -0.01 0.68 0.00 0.00 0.21 0.00 0.00 66.02 66.89 2diy s SER 6 CO -0.12 -1.29 0.00 0.61 0.41 0.00 0.00 173.24 172.85 2diy n GLY 7 N -0.44 -1.05 3.21 3.44 0.00 -1.26 -5.15 105.19 103.94 2diy n GLY 7 Ca -0.03 0.48 -0.34 0.00 0.00 0.00 0.00 46.02 46.12 2diy n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2diy s MET 8 N 0.00 2.91 -0.04 1.61 -2.45 -1.26 -5.08 119.30 114.99 2diy s MET 8 Ca 0.00 -0.93 -0.29 0.00 -1.25 0.00 0.00 55.69 53.22 2diy s MET 8 Cb 0.00 -2.96 0.11 0.00 1.25 0.00 0.00 34.83 33.23 2diy s MET 8 CO 0.00 -0.36 0.91 0.00 1.05 0.00 0.00 175.02 176.62 2diy s ALA 9 N 1.34 -1.85 -0.17 4.11 0.00 -1.26 -5.08 121.76 118.85 2diy s ALA 9 Ca 0.01 1.15 -0.16 0.00 0.00 0.00 0.00 51.96 52.96 2diy s ALA 9 Cb -0.16 0.18 -0.12 0.00 0.00 0.00 0.00 23.12 23.02 2diy s ALA 9 CO -0.05 -0.60 0.07 0.00 0.00 0.00 0.00 175.76 175.17 2diy h ALA 10 N 2.14 0.13 0.00 0.00 0.00 -2.00 -3.51 119.26 116.02 2diy h ALA 10 Ca -0.21 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 53.88 2diy h ALA 10 Cb 1.22 0.57 0.00 0.00 0.00 0.00 0.00 17.79 19.58 2diy h ALA 10 CO 0.31 0.55 0.00 0.41 0.00 0.00 0.00 179.25 180.52 2diy n GLY 11 N 1.54 3.65 4.26 0.00 0.00 -1.26 -4.98 105.19 108.40 2diy n GLY 11 Ca -0.19 -0.40 -0.36 0.00 0.00 0.00 0.00 46.02 45.07 2diy n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2diy n ALA 12 N 0.00 -1.37 -0.64 4.61 0.00 -1.26 -4.78 120.51 117.07 2diy n ALA 12 Ca 0.00 -0.09 -0.05 0.00 0.00 0.00 0.00 53.44 53.30 2diy n ALA 12 Cb 0.00 -2.96 -0.01 0.00 0.00 0.00 0.00 19.45 16.48 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 -4.34 4.49 -2.79 0.00 0.00 -1.26 -4.82 120.51 111.79 2diy n ALA 13 Ca 0.02 -0.54 -0.35 0.00 0.00 0.00 0.00 53.44 52.57 2diy n ALA 13 Cb 0.52 -1.22 -0.08 0.00 0.00 0.00 0.00 19.45 18.66 2diy n ALA 13 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2diy s GLU 14 N -0.25 3.90 -1.79 0.00 8.01 -1.26 -4.47 118.70 122.84 2diy s GLU 14 Ca 0.13 -0.25 -0.19 0.00 0.01 0.00 0.00 54.97 54.67 2diy s GLU 14 Cb 0.08 -3.27 0.19 0.00 -4.31 0.00 0.00 34.13 26.82 2diy s GLU 14 CO -0.01 0.42 0.57 0.00 0.01 0.00 0.00 175.26 176.25 2diy n ALA 15 N 3.11 -1.34 -2.64 5.21 0.00 -1.26 -4.87 120.51 118.72 2diy n ALA 15 Ca -0.17 -0.19 -0.40 0.00 0.00 0.00 0.00 53.44 52.68 2diy n ALA 15 Cb 0.53 -2.52 -0.06 0.00 0.00 0.00 0.00 19.45 17.39 2diy n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2diy s ALA 16 N -3.41 3.57 -0.05 0.00 0.00 -1.26 -5.06 121.76 115.55 2diy s ALA 16 Ca 0.69 -0.36 0.05 0.00 0.00 0.00 0.00 51.96 52.34 2diy s ALA 16 Cb -0.40 -2.98 -0.02 0.00 0.00 0.00 0.00 23.12 19.73 2diy s ALA 16 CO 1.00 -0.65 -0.20 0.08 0.00 0.00 0.00 175.76 175.98 2diy s VAL 17 N 2.13 2.52 -0.29 0.00 1.01 -1.26 -5.03 120.40 119.49 2diy s VAL 17 Ca 0.27 -0.91 0.14 0.00 0.00 0.00 0.00 61.98 61.47 2diy s VAL 17 Cb -0.16 -1.95 0.48 0.00 0.00 0.00 0.00 36.38 34.75 2diy s VAL 17 CO 0.09 0.58 1.14 0.00 0.00 0.00 0.00 175.10 176.91 2diy n ALA 18 N 2.63 3.98 -2.50 5.51 0.00 -1.26 -4.87 120.51 124.00 2diy n ALA 18 Ca -0.17 -3.38 -0.28 0.00 0.00 0.00 0.00 53.44 49.61 2diy n ALA 18 Cb 0.52 -0.58 -0.11 0.00 0.00 0.00 0.00 19.45 19.28 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 -3.66 2.73 -0.61 0.00 0.00 -1.26 -3.83 121.76 115.13 2diy s ALA 19 Ca 0.40 -1.49 -0.24 0.00 0.00 0.00 0.00 51.96 50.64 2diy s ALA 19 Cb 0.38 -0.58 0.05 0.00 0.00 0.00 0.00 23.12 22.97 2diy s ALA 19 CO -0.01 0.49 0.97 0.08 0.00 0.00 0.00 175.76 177.30 2diy s VAL 20 N -1.51 4.32 0.37 0.00 1.01 -1.26 -4.60 120.40 118.72 2diy s VAL 20 Ca 0.21 0.03 -0.25 0.00 0.00 0.00 0.00 61.98 61.97 2diy s VAL 20 Cb -0.09 -4.62 -0.09 0.00 0.00 0.00 0.00 36.38 31.58 2diy s VAL 20 CO 0.12 -1.30 1.04 -1.61 0.00 0.00 0.00 175.10 173.34 2diy s GLU 21 N 4.11 4.31 -0.43 2.72 0.41 -1.21 -4.85 118.70 123.76 2diy s GLU 21 Ca 0.27 1.52 -0.18 0.00 -0.41 0.00 0.00 54.97 56.18 2diy s GLU 21 Cb -0.14 -2.68 0.02 0.00 -1.78 0.00 0.00 34.13 29.55 2diy s GLU 21 CO 0.15 -0.01 0.46 -1.83 -0.49 0.00 0.00 175.26 173.54 2diy s GLU 22 N -2.26 3.11 -0.60 1.61 -1.05 -1.26 -2.18 118.70 116.07 2diy s GLU 22 Ca 0.54 -0.74 -0.22 0.00 -0.15 0.00 0.00 54.97 54.40 2diy s GLU 22 Cb -0.23 -3.98 0.06 0.00 -0.44 0.00 0.00 34.13 29.55 2diy s GLU 22 CO 0.29 -0.89 0.91 0.08 0.95 0.00 0.00 175.26 176.60 2diy s VAL 23 N 2.21 4.43 -0.42 1.83 1.01 -0.64 -4.89 120.40 123.93 2diy s VAL 23 Ca 0.13 -0.20 0.05 0.00 0.00 0.00 0.00 61.98 61.96 2diy s VAL 23 Cb -0.17 -4.58 0.58 0.00 0.00 0.00 0.00 36.38 32.20 2diy s VAL 23 CO 0.14 -1.26 1.74 0.61 0.00 0.00 0.00 175.10 176.34 2diy n GLY 24 N 5.24 4.91 3.64 4.51 0.00 -1.26 -3.76 105.19 118.47 2diy n GLY 24 Ca -0.03 -1.37 -0.06 0.00 0.00 0.00 0.00 46.02 44.56 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 -1.91 -0.36 0.25 1.61 1.04 -1.26 -4.82 113.70 108.25 2diy s SER 25 Ca 0.53 0.67 -0.05 0.00 0.48 0.00 0.00 55.95 57.59 2diy s SER 25 Cb 0.46 0.77 0.34 0.00 0.10 0.00 0.00 66.02 67.68 2diy s SER 25 CO 0.05 -0.11 1.89 0.00 0.98 0.00 0.00 173.24 176.04 2diy h ALA 26 N 4.31 1.28 -0.47 5.32 0.00 -1.91 -2.52 119.26 125.27 2diy h ALA 26 Ca -0.28 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.65 2diy h ALA 26 Cb 1.18 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 2diy h ALA 26 CO 0.14 0.45 0.19 0.78 0.00 0.00 0.00 179.25 180.81 2diy h GLY 27 N 1.16 0.63 0.52 0.00 0.00 -1.99 -1.03 103.07 102.37 2diy h GLY 27 Ca 0.39 -0.11 0.05 0.00 0.00 0.00 0.00 47.33 47.66 2diy h GLY 27 CO -0.14 0.04 -0.06 -1.61 0.00 0.00 0.00 176.54 174.77 2diy h GLN 28 N 0.37 0.00 0.68 4.80 4.15 -1.87 0.13 115.11 123.38 2diy h GLN 28 Ca 0.22 -0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.61 2diy h GLN 28 Cb 0.20 -0.00 0.01 0.00 0.21 0.00 0.00 27.48 27.89 2diy h GLN 28 CO -0.21 0.00 -0.34 0.35 -1.93 0.00 0.00 178.83 176.71 2diy h PHE 29 N 0.00 -0.87 -1.02 3.99 3.57 -1.34 -0.07 116.94 121.20 2diy h PHE 29 Ca 0.12 -0.02 0.26 0.00 3.53 0.00 0.00 57.97 61.86 2diy h PHE 29 Cb 0.18 0.29 -0.12 0.00 2.79 0.00 0.00 35.95 39.09 2diy h PHE 29 CO -0.25 -0.54 0.62 0.93 -2.23 0.00 0.00 178.31 176.85 2diy h GLU 30 N -0.93 0.49 -0.40 1.11 5.08 -1.12 0.43 114.58 119.23 2diy h GLU 30 Ca -0.09 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.12 2diy h GLU 30 Cb 0.71 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 2diy h GLU 30 CO 0.15 0.32 -0.20 1.49 -1.00 0.00 0.00 179.01 179.77 2diy h GLU 31 N 0.50 0.79 -0.22 2.33 4.81 -0.51 -3.01 114.58 119.27 2diy h GLU 31 Ca 0.64 -0.31 -0.16 0.00 -0.13 0.00 0.00 59.36 59.41 2diy h GLU 31 Cb 1.36 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.69 2diy h GLU 31 CO -0.43 0.92 -0.50 1.25 -0.73 0.00 0.00 179.01 179.52 2diy h LEU 32 N 0.69 0.68 -0.98 1.64 5.85 0.17 -3.19 115.31 120.17 2diy h LEU 32 Ca 0.10 -0.34 0.32 0.00 0.84 0.00 0.00 57.88 58.80 2diy h LEU 32 Cb 0.71 -0.19 -0.18 0.00 0.37 0.00 0.00 40.66 41.37 2diy h LEU 32 CO 0.05 1.06 0.20 0.18 -0.34 0.00 0.00 178.44 179.60 2diy n LEU 33 N -3.99 0.05 0.06 2.25 4.77 0.14 0.13 117.00 120.42 2diy n LEU 33 Ca -0.03 1.65 -0.16 0.00 -0.03 0.00 0.00 56.01 57.44 2diy n LEU 33 Cb 0.58 -0.68 -0.07 0.00 -2.33 0.00 0.00 43.42 40.92 2diy n LEU 33 CO 0.47 -1.74 0.12 0.08 -1.33 0.00 0.00 177.39 174.99 2diy h ARG 34 N 0.00 0.50 0.40 3.23 0.11 -1.68 -2.44 114.38 114.50 2diy h ARG 34 Ca 0.68 -0.57 -0.02 0.00 0.10 0.00 0.00 59.98 60.17 2diy h ARG 34 Cb 1.58 0.17 0.00 0.00 1.11 0.00 0.00 29.97 32.83 2diy h ARG 34 CO -0.86 1.20 -0.19 -0.07 0.10 0.00 0.00 179.97 180.15 2diy h LEU 35 N 0.27 -0.45 -3.94 0.08 3.38 0.11 -3.01 115.31 111.74 2diy h LEU 35 Ca -0.11 -0.03 -0.64 0.00 0.09 0.00 0.00 57.88 57.20 2diy h LEU 35 Cb 1.67 0.12 -0.27 0.00 0.09 0.00 0.00 40.66 42.26 2diy h LEU 35 CO 0.18 -0.26 0.82 0.29 0.09 0.00 0.00 178.44 179.57 2diy n LYS 36 N -5.29 2.58 0.09 1.13 4.76 0.97 -4.60 118.16 117.80 2diy n LYS 36 Ca -0.11 -3.10 -0.06 0.00 -2.87 0.00 0.00 58.31 52.18 2diy n LYS 36 Cb 0.25 -2.21 -0.03 0.00 -1.84 0.00 0.00 35.03 31.20 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 1.91 -0.32 -0.98 7.82 0.00 -1.29 -3.32 119.26 123.09 2diy h ALA 37 Ca 0.58 -0.09 0.24 0.00 0.00 0.00 0.00 54.91 55.64 2diy h ALA 37 Cb 0.89 0.12 -0.12 0.00 0.00 0.00 0.00 17.79 18.68 2diy h ALA 37 CO 1.49 -0.30 0.56 0.87 0.00 0.00 0.00 179.25 181.87 2diy h LYS 38 N -1.07 0.53 -7.43 0.00 1.57 -1.82 0.13 116.57 108.48 2diy h LYS 38 Ca -0.03 -0.03 -0.46 0.00 -1.87 0.00 0.00 60.65 58.25 2diy h LYS 38 Cb 0.28 -0.12 0.12 0.00 0.08 0.00 0.00 32.23 32.59 2diy h LYS 38 CO 0.05 0.35 0.25 -1.12 -0.57 0.00 0.00 179.45 178.41 2diy s SER 39 N -5.20 3.66 -0.33 0.86 0.01 -1.25 -4.79 113.70 106.66 2diy s SER 39 Ca -0.11 -0.20 -0.19 0.00 1.31 0.00 0.00 55.95 56.77 2diy s SER 39 Cb 0.27 0.04 -0.01 0.00 0.21 0.00 0.00 66.02 66.53 2diy s SER 39 CO 0.79 -2.34 0.54 -0.22 0.41 0.00 0.00 173.24 172.42 2diy s LEU 40 N -5.50 4.25 0.16 2.44 2.96 -1.26 -4.28 118.68 117.46 2diy s LEU 40 Ca 0.71 0.14 -0.05 0.00 -0.22 0.00 0.00 54.13 54.71 2diy s LEU 40 Cb -0.04 -2.65 -0.06 0.00 0.50 0.00 0.00 46.19 43.95 2diy s LEU 40 CO 0.49 -0.46 0.41 -0.22 -1.32 0.00 0.00 176.35 175.24 2diy s LEU 41 N 2.44 4.24 -0.14 -0.68 2.96 -0.92 -0.74 118.68 125.85 2diy s LEU 41 Ca 0.21 0.62 -0.03 0.00 -0.22 0.00 0.00 54.13 54.71 2diy s LEU 41 Cb -0.15 -3.36 0.05 0.00 0.50 0.00 0.00 46.19 43.23 2diy s LEU 41 CO 0.13 0.02 0.04 -0.69 -1.32 0.00 0.00 176.35 174.52 2diy s VAL 42 N -1.71 0.27 -0.48 1.68 1.01 0.32 -2.25 120.40 119.24 2diy s VAL 42 Ca 0.42 -0.16 -0.12 0.00 0.00 0.00 0.00 61.98 62.12 2diy s VAL 42 Cb -0.12 -0.68 0.10 0.00 0.00 0.00 0.00 36.38 35.68 2diy s VAL 42 CO 0.25 -0.04 0.38 -0.69 0.00 0.00 0.00 175.10 174.99 2diy s VAL 43 N 1.99 4.67 -0.24 2.92 1.01 -0.59 -0.43 120.40 129.73 2diy s VAL 43 Ca 0.02 -1.48 -0.16 0.00 0.00 0.00 0.00 61.98 60.37 2diy s VAL 43 Cb -0.15 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 2diy s VAL 43 CO -0.07 -0.70 0.39 -2.28 0.00 0.00 0.00 175.10 172.45 2diy s HIS 44 N 1.49 3.31 -0.54 5.22 5.65 -0.30 0.08 115.29 130.19 2diy s HIS 44 Ca 0.04 0.52 -0.28 0.00 0.25 0.00 0.00 55.06 55.59 2diy s HIS 44 Cb -0.26 -2.56 0.03 0.00 -1.18 0.00 0.00 32.58 28.61 2diy s HIS 44 CO 0.02 -0.13 1.22 -0.06 -0.65 0.00 0.00 174.74 175.14 2diy s PHE 45 N 1.72 2.61 -0.13 3.88 0.40 0.78 -1.91 117.98 125.33 2diy s PHE 45 Ca 0.17 0.51 -0.04 0.00 -0.60 0.00 0.00 56.93 56.98 2diy s PHE 45 Cb -0.15 -4.48 -0.03 0.00 0.51 0.00 0.00 43.02 38.87 2diy s PHE 45 CO 0.09 -1.57 0.00 1.67 0.70 0.00 0.00 175.22 176.11 2diy s TRP 46 N 4.97 3.14 0.03 0.36 1.48 -0.98 -3.64 118.94 124.30 2diy s TRP 46 Ca 0.46 0.01 0.04 0.00 -1.06 0.00 0.00 56.10 55.56 2diy s TRP 46 Cb -0.08 -1.91 -0.02 0.00 -1.16 0.00 0.00 33.47 30.30 2diy s TRP 46 CO 0.27 0.24 -0.13 0.00 -4.06 0.00 0.00 176.95 173.27 2diy s ALA 47 N -0.20 1.10 0.13 2.67 0.00 -1.26 -3.24 121.76 120.96 2diy s ALA 47 Ca 0.05 -0.76 0.33 0.00 0.00 0.00 0.00 51.96 51.58 2diy s ALA 47 Cb -0.12 -0.18 1.38 0.00 0.00 0.00 0.00 23.12 24.19 2diy s ALA 47 CO 0.02 0.21 1.99 -1.00 0.00 0.00 0.00 175.76 176.98 2diy h PRO 48 N 5.07 0.00 -0.59 0.00 0.13 -2.01 -2.61 132.00 131.99 2diy h PRO 48 Ca -0.37 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.70 2diy h PRO 48 Cb 1.18 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.27 2diy h PRO 48 CO 0.45 0.02 0.07 -2.67 -0.23 0.00 0.00 178.00 175.64 2diy n TRP 49 N -3.12 2.07 -3.81 1.56 4.27 -1.26 -4.84 117.44 112.31 2diy n TRP 49 Ca 0.00 -0.88 -0.28 0.00 -3.89 0.00 0.00 57.50 52.45 2diy n TRP 49 Cb 0.30 -0.54 -0.16 0.00 -1.36 0.00 0.00 31.31 29.55 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 -2.85 1.32 0.03 -1.67 0.00 -0.99 -5.02 121.76 112.58 2diy s ALA 50 Ca 0.54 -0.87 -0.21 0.00 0.00 0.00 0.00 51.96 51.41 2diy s ALA 50 Cb 0.42 -1.23 -0.15 0.00 0.00 0.00 0.00 23.12 22.16 2diy s ALA 50 CO 0.14 -1.10 1.33 -1.00 0.00 0.00 0.00 175.76 175.13 2diy h PRO 51 N 8.15 0.29 -1.18 0.00 0.13 -1.88 -3.10 132.00 134.41 2diy h PRO 51 Ca -0.18 -0.15 0.34 0.00 -0.87 0.00 0.00 66.00 65.14 2diy h PRO 51 Cb 1.11 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.19 2diy h PRO 51 CO 0.36 0.70 0.84 1.96 -0.23 0.00 0.00 178.00 181.62 2diy h GLN 52 N -0.10 0.05 -0.23 0.86 7.50 -1.95 0.21 115.11 121.45 2diy h GLN 52 Ca 0.02 -0.00 -0.03 0.00 0.50 0.00 0.00 58.65 59.14 2diy h GLN 52 Cb 0.64 -0.01 -0.01 0.00 0.05 0.00 0.00 27.48 28.15 2diy h GLN 52 CO 0.03 0.03 0.03 0.00 -1.50 0.00 0.00 178.83 177.42 2diy n ALA 54 N -2.31 -0.02 -0.29 0.00 0.00 0.72 0.37 120.51 118.98 2diy n ALA 54 Ca -0.04 0.03 0.06 0.00 0.00 0.00 0.00 53.44 53.49 2diy n ALA 54 Cb 0.20 0.38 0.27 0.00 0.00 0.00 0.00 19.45 20.30 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 0.93 0.00 0.00 3.07 -1.66 0.10 115.11 117.55 2diy h GLN 55 Ca 0.01 -0.06 -0.00 0.00 0.09 0.00 0.00 58.65 58.69 2diy h GLN 55 Cb 0.02 -0.21 -0.00 0.00 0.08 0.00 0.00 27.48 27.37 2diy h GLN 55 CO -0.04 0.61 -0.00 0.52 0.09 0.00 0.00 178.83 180.02 2diy h MET 56 N 0.95 0.00 0.00 0.06 2.86 0.18 -1.72 114.93 117.26 2diy h MET 56 Ca 0.40 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.04 2diy h MET 56 Cb 0.30 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.96 2diy h MET 56 CO -0.16 0.00 -0.14 -0.97 1.06 0.00 0.00 176.91 176.70 2diy h ASN 57 N 0.00 0.00 -0.79 1.22 -1.24 0.21 -3.26 115.58 111.72 2diy h ASN 57 Ca -0.00 0.00 0.23 0.00 0.71 0.00 0.00 56.30 57.24 2diy h ASN 57 Cb 0.01 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.02 2diy h ASN 57 CO 0.00 0.54 0.57 1.05 -1.29 0.00 0.00 177.43 178.30 2diy h GLU 58 N -0.95 0.02 -0.33 6.67 -0.00 -1.35 0.08 114.58 118.72 2diy h GLU 58 Ca 0.00 -0.00 -0.03 0.00 -0.00 0.00 0.00 59.36 59.33 2diy h GLU 58 Cb 0.14 -0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 28.87 2diy h GLU 58 CO 0.00 0.01 0.08 0.28 -0.00 0.00 0.00 179.01 179.38 2diy h VAL 59 N 0.02 1.22 -0.63 -1.06 2.07 -1.45 -3.04 116.25 113.38 2diy h VAL 59 Ca 0.38 -0.75 -0.00 0.00 0.82 0.00 0.00 66.70 67.15 2diy h VAL 59 Cb 1.48 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 32.30 2diy h VAL 59 CO -0.01 0.25 0.39 0.24 0.02 0.00 0.00 177.57 178.46 2diy h MET 60 N 0.37 0.85 -0.93 1.57 2.86 -1.03 -2.83 114.93 115.80 2diy h MET 60 Ca 0.10 -0.07 0.18 0.00 -2.06 0.00 0.00 59.70 57.85 2diy h MET 60 Cb 0.30 -0.18 -0.17 0.00 0.06 0.00 0.00 31.60 31.60 2diy h MET 60 CO 0.00 0.60 -0.25 0.00 1.06 0.00 0.00 176.91 178.32 2diy h ALA 61 N 1.21 0.54 0.48 6.32 0.00 -1.36 0.11 119.26 126.56 2diy h ALA 61 Ca 0.23 0.35 -0.02 0.00 0.00 0.00 0.00 54.91 55.46 2diy h ALA 61 Cb -0.04 0.75 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2diy h ALA 61 CO -0.04 -0.42 -0.23 0.93 0.00 0.00 0.00 179.25 179.48 2diy h GLU 62 N -0.01 -0.62 -0.86 0.00 5.08 -1.56 -3.09 114.58 113.52 2diy h GLU 62 Ca 0.43 0.04 0.19 0.00 -1.00 0.00 0.00 59.36 59.02 2diy h GLU 62 Cb 0.67 0.14 -0.16 0.00 0.50 0.00 0.00 28.75 29.90 2diy h GLU 62 CO -0.95 -0.32 -0.11 -0.07 -1.00 0.00 0.00 179.01 176.55 2diy h LEU 63 N -0.94 -0.62 -0.85 1.33 3.38 -0.99 0.56 115.31 117.18 2diy h LEU 63 Ca -0.07 0.25 0.14 0.00 0.09 0.00 0.00 57.88 58.29 2diy h LEU 63 Cb 0.59 0.48 -0.09 0.00 0.09 0.00 0.00 40.66 41.73 2diy h LEU 63 CO 0.11 -0.27 0.45 0.00 0.09 0.00 0.00 178.44 178.81 2diy h ALA 64 N 1.85 1.27 -0.45 1.53 0.00 -0.84 0.18 119.26 122.79 2diy h ALA 64 Ca 0.45 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.35 2diy h ALA 64 Cb 0.77 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 2diy h ALA 64 CO -0.84 -0.06 -0.03 0.87 0.00 0.00 0.00 179.25 179.19 2diy h LYS 65 N 0.65 0.82 -0.59 0.00 1.57 0.14 -3.07 116.57 116.10 2diy h LYS 65 Ca 0.45 -0.28 -0.06 0.00 -1.87 0.00 0.00 60.65 58.90 2diy h LYS 65 Cb 0.61 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 2diy h LYS 65 CO -0.34 0.90 0.14 1.49 -0.57 0.00 0.00 179.45 181.06 2diy h GLU 66 N 0.67 0.95 -4.33 3.15 4.57 0.07 -3.37 114.58 116.28 2diy h GLU 66 Ca 0.12 -0.23 -0.67 0.00 -1.18 0.00 0.00 59.36 57.40 2diy h GLU 66 Cb 0.55 -0.12 -0.38 0.00 -0.16 0.00 0.00 28.75 28.63 2diy h GLU 66 CO 0.03 0.88 -0.61 -0.51 -1.18 0.00 0.00 179.01 177.61 2diy s LEU 67 N -9.57 4.91 0.17 1.64 1.43 0.51 -4.96 118.68 112.81 2diy s LEU 67 Ca -0.12 -2.31 -0.08 0.00 -1.03 0.00 0.00 54.13 50.59 2diy s LEU 67 Cb 0.13 -1.72 0.03 0.00 0.03 0.00 0.00 46.19 44.66 2diy s LEU 67 CO 0.82 -0.41 1.51 1.55 0.23 0.00 0.00 176.35 180.04 2diy h PRO 68 N 7.54 0.83 -0.56 1.29 0.13 -1.74 -3.06 132.00 136.43 2diy h PRO 68 Ca -0.07 -0.44 0.08 0.00 -0.87 0.00 0.00 66.00 64.70 2diy h PRO 68 Cb 1.00 0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.12 2diy h PRO 68 CO 0.62 1.07 0.38 -0.56 -0.23 0.00 0.00 178.00 179.28 2diy h GLN 69 N 0.68 0.42 -7.15 0.86 3.07 -1.90 -3.43 115.11 107.66 2diy h GLN 69 Ca 0.05 -0.03 -0.47 0.00 0.09 0.00 0.00 58.65 58.30 2diy h GLN 69 Cb 0.97 -0.09 0.02 0.00 0.08 0.00 0.00 27.48 28.46 2diy h GLN 69 CO 0.09 0.28 0.37 0.08 0.09 0.00 0.00 178.83 179.74 2diy s VAL 70 N -5.41 4.17 -0.20 1.86 1.01 -1.16 -4.15 120.40 116.52 2diy s VAL 70 Ca -0.08 1.14 0.01 0.00 0.00 0.00 0.00 61.98 63.05 2diy s VAL 70 Cb 0.19 -3.56 0.05 0.00 0.00 0.00 0.00 36.38 33.06 2diy s VAL 70 CO 0.74 -0.49 -0.09 -0.55 0.00 0.00 0.00 175.10 174.71 2diy s SER 71 N -2.64 3.46 -0.14 3.32 0.15 0.08 -4.91 113.70 113.02 2diy s SER 71 Ca 0.62 -0.94 -0.12 0.00 0.70 0.00 0.00 55.95 56.22 2diy s SER 71 Cb -0.13 -1.20 -0.05 0.00 -1.71 0.00 0.00 66.02 62.94 2diy s SER 71 CO 0.28 -0.17 0.24 -0.36 1.20 0.00 0.00 173.24 174.43 2diy s PHE 72 N 1.41 3.50 -0.07 3.44 0.40 -1.26 -0.52 117.98 124.88 2diy s PHE 72 Ca -0.02 0.57 -0.03 0.00 -0.60 0.00 0.00 56.93 56.84 2diy s PHE 72 Cb -0.17 -2.23 0.04 0.00 0.51 0.00 0.00 43.02 41.18 2diy s PHE 72 CO -0.08 0.38 0.16 0.14 0.70 0.00 0.00 175.22 176.52 2diy s VAL 73 N 0.02 -0.11 -0.19 -0.44 -7.23 0.43 -3.35 120.40 109.53 2diy s VAL 73 Ca 0.15 0.22 -0.06 0.00 -1.81 0.00 0.00 61.98 60.48 2diy s VAL 73 Cb -0.13 -0.27 -0.03 0.00 0.56 0.00 0.00 36.38 36.51 2diy s VAL 73 CO 0.04 0.09 0.03 -1.59 -0.31 0.00 0.00 175.10 173.36 2diy s LYS 74 N 1.48 3.79 -0.09 4.82 -2.85 -0.92 -1.15 119.74 124.82 2diy s LYS 74 Ca -0.06 -0.44 0.03 0.00 -1.00 0.00 0.00 55.97 54.51 2diy s LYS 74 Cb -0.12 -3.15 -0.01 0.00 -2.06 0.00 0.00 37.83 32.50 2diy s LYS 74 CO -0.06 0.14 -0.19 -1.17 0.10 0.00 0.00 175.35 174.17 2diy s LEU 75 N 0.69 2.39 -0.58 2.77 0.20 -0.80 -1.63 118.68 121.72 2diy s LEU 75 Ca 0.02 -0.42 -0.28 0.00 0.69 0.00 0.00 54.13 54.14 2diy s LEU 75 Cb -0.14 -1.49 0.01 0.00 -0.43 0.00 0.00 46.19 44.15 2diy s LEU 75 CO 0.02 0.21 1.43 -0.70 -0.29 0.00 0.00 176.35 177.02 2diy s GLU 76 N 0.07 3.26 0.26 1.98 2.12 -1.25 -2.33 118.70 122.81 2diy s GLU 76 Ca -0.08 0.41 -0.09 0.00 0.36 0.00 0.00 54.97 55.57 2diy s GLU 76 Cb -0.15 -4.14 0.40 0.00 0.26 0.00 0.00 34.13 30.49 2diy s GLU 76 CO 0.05 -1.99 1.59 0.00 -0.54 0.00 0.00 175.26 174.37 2diy h ALA 77 N 11.19 0.61 0.00 6.30 0.00 -1.86 1.05 119.26 136.56 2diy h ALA 77 Ca -0.27 0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 2diy h ALA 77 Cb 1.09 0.63 -0.01 0.00 0.00 0.00 0.00 17.79 19.50 2diy h ALA 77 CO 1.19 -0.41 -0.41 0.93 0.00 0.00 0.00 179.25 180.54 2diy h GLU 78 N 0.01 0.00 -0.06 0.00 5.08 -1.90 -3.24 114.58 114.46 2diy h GLU 78 Ca 0.42 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.74 2diy h GLU 78 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 2diy h GLU 78 CO -0.87 0.41 -0.11 0.78 -1.00 0.00 0.00 179.01 178.22 2diy h GLY 79 N 2.07 0.20 -7.32 -3.84 0.00 0.57 -3.38 103.07 91.38 2diy h GLY 79 Ca -0.00 -0.24 -0.68 0.00 0.00 0.00 0.00 47.33 46.41 2diy h GLY 79 CO 0.05 0.21 -0.28 0.14 0.00 0.00 0.00 176.54 176.67 2diy s VAL 80 N -3.99 3.82 0.10 4.60 1.01 0.81 -4.87 120.40 121.89 2diy s VAL 80 Ca -0.15 -3.75 0.34 0.00 0.00 0.00 0.00 61.98 58.41 2diy s VAL 80 Cb 0.03 -3.43 0.39 0.00 0.00 0.00 0.00 36.38 33.37 2diy s VAL 80 CO 0.72 -1.01 1.99 1.55 0.00 0.00 0.00 175.10 178.35 2diy h PRO 81 N 6.10 0.00 -0.14 2.72 0.13 -1.75 -2.93 132.00 136.13 2diy h PRO 81 Ca 0.11 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.23 2diy h PRO 81 Cb 0.83 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.96 2diy h PRO 81 CO 0.79 0.00 0.05 1.49 -0.23 0.00 0.00 178.00 180.09 2diy h GLU 82 N 0.00 0.21 0.31 0.86 4.57 -1.90 -2.68 114.58 115.95 2diy h GLU 82 Ca 0.00 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.12 2diy h GLU 82 Cb 0.48 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.04 2diy h GLU 82 CO 0.00 0.34 -0.15 0.28 -1.18 0.00 0.00 179.01 178.30 2diy h VAL 83 N 0.05 0.00 -0.87 0.32 2.07 -1.94 -3.04 116.25 112.84 2diy h VAL 83 Ca 0.05 -0.69 0.30 0.00 0.82 0.00 0.00 66.70 67.17 2diy h VAL 83 Cb 0.21 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 29.82 2diy h VAL 83 CO -0.00 0.00 0.23 -1.20 0.02 0.00 0.00 177.57 176.62 2diy n SER 84 N -5.03 0.09 -0.08 0.57 7.64 -1.11 0.15 113.62 115.85 2diy n SER 84 Ca -0.05 1.46 -0.11 0.00 1.01 0.00 0.00 58.87 61.18 2diy n SER 84 Cb 0.16 -0.62 -0.04 0.00 -1.01 0.00 0.00 64.21 62.70 2diy n SER 84 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2diy h GLU 85 N 0.00 0.41 -0.81 1.43 4.81 -1.55 1.47 114.58 120.34 2diy h GLU 85 Ca 0.63 -0.11 0.18 0.00 -0.13 0.00 0.00 59.36 59.93 2diy h GLU 85 Cb 1.50 -0.05 -0.11 0.00 0.63 0.00 0.00 28.75 30.72 2diy h GLU 85 CO -0.75 0.55 0.27 -0.22 -0.73 0.00 0.00 179.01 178.14 2diy h LYS 86 N 0.21 0.33 0.00 1.92 3.64 0.16 0.48 116.57 123.31 2diy h LYS 86 Ca 0.07 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2diy h LYS 86 Cb 0.34 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 2diy h LYS 86 CO 0.01 0.22 -0.90 0.66 -2.27 0.00 0.00 179.45 177.17 2diy n TYR 87 N -5.10 0.02 -3.28 1.91 4.02 -0.90 -4.98 117.16 108.86 2diy n TYR 87 Ca 0.17 0.01 -0.16 0.00 -0.01 0.00 0.00 57.90 57.91 2diy n TYR 87 Cb 0.53 -0.12 0.07 0.00 -0.02 0.00 0.00 39.34 39.80 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 -1.57 -5.98 -2.74 -0.72 1.02 0.47 -4.91 120.64 106.22 2diy n GLU 88 Ca 0.04 0.70 -0.43 0.00 -0.02 0.00 0.00 57.16 57.45 2diy n GLU 88 Cb 0.35 -5.32 -0.01 0.00 -0.02 0.00 0.00 31.44 26.44 2diy n GLU 88 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2diy s ILE 89 N -3.29 4.43 -0.64 -3.67 -1.09 0.58 -4.80 121.20 112.71 2diy s ILE 89 Ca 0.19 -1.77 -0.01 0.00 -2.23 0.00 0.00 60.65 56.83 2diy s ILE 89 Cb -0.08 -5.01 0.46 0.00 -1.58 0.00 0.00 42.46 36.24 2diy s ILE 89 CO 0.61 -1.80 1.99 -1.20 -1.23 0.00 0.00 174.94 173.30 2diy n SER 90 N 7.45 7.44 -3.62 3.58 7.64 -1.26 -4.91 113.62 129.93 2diy n SER 90 Ca 0.37 -3.78 -0.14 0.00 1.01 0.00 0.00 58.87 56.33 2diy n SER 90 Cb 0.47 -0.94 -0.07 0.00 -1.01 0.00 0.00 64.21 62.66 2diy n SER 90 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2diy s SER 91 N -1.91 -0.71 0.01 6.43 0.01 -1.26 -5.18 113.70 111.09 2diy s SER 91 Ca 0.64 1.29 -0.08 0.00 1.31 0.00 0.00 55.95 59.11 2diy s SER 91 Cb 0.50 1.29 0.00 0.00 0.21 0.00 0.00 66.02 68.02 2diy s SER 91 CO -0.00 -0.29 0.15 0.68 0.41 0.00 0.00 173.24 174.18 2diy s VAL 92 N 0.14 0.09 0.90 3.43 -7.23 -1.26 -4.21 120.40 112.26 2diy s VAL 92 Ca -0.02 -0.77 -0.12 0.00 -1.81 0.00 0.00 61.98 59.27 2diy s VAL 92 Cb -0.04 -0.58 0.13 0.00 0.56 0.00 0.00 36.38 36.45 2diy s VAL 92 CO 0.02 -0.42 1.09 -2.16 -0.31 0.00 0.00 175.10 173.32 2diy s PRO 93 N -1.73 1.23 -0.30 4.82 0.04 -1.26 -4.89 135.00 132.90 2diy s PRO 93 Ca -0.12 0.81 -0.05 0.00 0.04 0.00 0.00 61.00 61.68 2diy s PRO 93 Cb -0.06 -1.81 0.17 0.00 0.04 0.00 0.00 34.50 32.85 2diy s PRO 93 CO 0.00 -2.26 0.64 0.99 0.04 0.00 0.00 177.00 176.42 2diy s THR 94 N -2.94 -0.96 0.01 1.26 2.01 -1.24 -3.65 115.64 110.13 2diy s THR 94 Ca 0.63 0.00 -0.10 0.00 0.31 0.00 0.00 61.69 62.53 2diy s THR 94 Cb -0.18 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.28 2diy s THR 94 CO 0.57 0.00 0.34 -0.36 -0.69 0.00 0.00 174.62 174.48 2diy s PHE 95 N 2.87 3.64 -0.26 4.92 0.40 -1.05 -0.16 117.98 128.34 2diy s PHE 95 Ca 0.10 0.78 -0.00 0.00 -0.60 0.00 0.00 56.93 57.21 2diy s PHE 95 Cb -0.14 -2.14 0.08 0.00 0.51 0.00 0.00 43.02 41.33 2diy s PHE 95 CO -0.20 0.61 0.02 -0.51 0.70 0.00 0.00 175.22 175.84 2diy s LEU 96 N -1.47 2.41 -0.20 -0.37 1.43 0.11 -2.38 118.68 118.21 2diy s LEU 96 Ca 0.26 -1.34 -0.29 0.00 -1.03 0.00 0.00 54.13 51.73 2diy s LEU 96 Cb -0.14 -1.01 0.00 0.00 0.03 0.00 0.00 46.19 45.07 2diy s LEU 96 CO 0.14 -0.32 1.07 -0.36 0.23 0.00 0.00 176.35 177.11 2diy s PHE 97 N 1.51 3.29 -0.19 0.29 0.08 -1.08 -1.55 117.98 120.32 2diy s PHE 97 Ca 0.01 1.42 0.01 0.00 0.12 0.00 0.00 56.93 58.49 2diy s PHE 97 Cb -0.18 -3.30 0.03 0.00 -0.57 0.00 0.00 43.02 39.01 2diy s PHE 97 CO -0.12 -0.63 -0.16 -0.06 -0.10 0.00 0.00 175.22 174.15 2diy s PHE 98 N 3.07 2.69 -0.16 0.36 0.08 -0.95 -2.64 117.98 120.43 2diy s PHE 98 Ca 0.46 -1.68 -0.02 0.00 0.12 0.00 0.00 56.93 55.81 2diy s PHE 98 Cb -0.17 -1.81 -0.01 0.00 -0.57 0.00 0.00 43.02 40.46 2diy s PHE 98 CO 0.09 -0.79 -0.08 0.15 -0.10 0.00 0.00 175.22 174.49 2diy s LYS 99 N 1.31 3.44 -1.48 0.44 -0.14 0.07 -2.16 119.74 121.21 2diy s LYS 99 Ca 0.01 -0.63 -0.12 0.00 -1.36 0.00 0.00 55.97 53.87 2diy s LYS 99 Cb -0.15 -2.81 0.08 0.00 -1.68 0.00 0.00 37.83 33.28 2diy s LYS 99 CO -0.10 0.08 0.79 0.09 -0.76 0.00 0.00 175.35 175.45 2diy n ASN 100 N 3.94 -4.53 -2.08 2.83 4.13 0.03 -0.42 115.26 119.17 2diy n ASN 100 Ca -0.18 -0.64 -0.14 0.00 1.68 0.00 0.00 54.58 55.29 2diy n ASN 100 Cb 0.52 -3.66 0.03 0.00 -1.54 0.00 0.00 39.78 35.13 2diy n ASN 100 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 2diy n SER 101 N -2.63 -4.54 -3.61 6.41 2.88 -1.26 -4.98 113.62 105.90 2diy n SER 101 Ca 0.02 -0.20 -0.08 0.00 -1.33 0.00 0.00 58.87 57.27 2diy n SER 101 Cb 0.53 -3.37 -0.09 0.00 -0.75 0.00 0.00 64.21 60.53 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 -5.35 0.34 0.29 -1.46 -1.52 0.44 -5.09 119.66 107.31 2diy s GLN 102 Ca 0.22 0.99 -0.30 0.00 -1.95 0.00 0.00 55.36 54.32 2diy s GLN 102 Cb -0.10 0.26 -0.11 0.00 -0.22 0.00 0.00 33.01 32.85 2diy s GLN 102 CO 0.27 -0.31 1.57 0.21 -0.25 0.00 0.00 175.29 176.79 2diy s LYS 103 N 2.63 4.14 0.00 2.91 2.20 -1.26 -0.75 119.74 129.60 2diy s LYS 103 Ca 0.00 2.54 0.00 0.00 -0.36 0.00 0.00 55.97 58.15 2diy s LYS 103 Cb -0.13 -3.04 0.00 0.00 -1.51 0.00 0.00 37.83 33.16 2diy s LYS 103 CO -0.14 -0.60 0.00 0.44 -0.36 0.00 0.00 175.35 174.69 2diy n ILE 104 N 2.21 0.00 -3.99 5.43 -5.35 -1.08 -4.89 119.36 111.69 2diy n ILE 104 Ca 0.08 0.00 -0.10 0.00 -0.27 0.00 0.00 62.75 62.46 2diy n ILE 104 Cb 0.38 -0.33 -0.04 0.00 -1.74 0.00 0.00 39.64 37.91 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 -2.26 0.18 -0.28 7.28 2.15 -1.25 -5.09 116.67 117.40 2diy s ASP 105 Ca 0.00 -1.09 -0.22 0.00 0.43 0.00 0.00 52.55 51.66 2diy s ASP 105 Cb 0.00 0.65 0.08 0.00 -0.30 0.00 0.00 42.92 43.35 2diy s ASP 105 CO 0.00 -1.26 0.78 -0.60 -0.17 0.00 0.00 175.17 173.91 2diy s ARG 106 N -3.54 0.73 -0.32 4.34 3.52 -1.26 -2.65 118.95 119.78 2diy s ARG 106 Ca 0.23 0.97 -0.07 0.00 -0.13 0.00 0.00 55.73 56.73 2diy s ARG 106 Cb -0.01 0.30 0.02 0.00 -1.56 0.00 0.00 34.95 33.70 2diy s ARG 106 CO 0.12 -0.10 0.11 -1.17 -0.81 0.00 0.00 175.30 173.45 2diy s LEU 107 N 0.70 4.10 -0.16 -0.88 0.20 -1.00 -5.03 118.68 116.61 2diy s LEU 107 Ca -0.02 -0.84 -0.14 0.00 0.69 0.00 0.00 54.13 53.81 2diy s LEU 107 Cb -0.05 -1.90 -0.05 0.00 -0.43 0.00 0.00 46.19 43.76 2diy s LEU 107 CO -0.06 -0.25 0.32 1.51 -0.29 0.00 0.00 176.35 177.58 2diy s ASP 108 N 1.49 6.46 0.00 3.68 1.47 -1.26 -2.51 116.67 126.00 2diy s ASP 108 Ca 0.02 0.54 0.00 0.00 1.18 0.00 0.00 52.55 54.29 2diy s ASP 108 Cb -0.18 -2.20 0.00 0.00 -0.34 0.00 0.00 42.92 40.20 2diy s ASP 108 CO 0.03 0.08 0.00 0.61 0.68 0.00 0.00 175.17 176.57 2diy n GLY 109 N 3.41 -0.23 3.70 2.12 0.00 -1.24 -4.93 105.19 108.03 2diy n GLY 109 Ca -0.11 -1.53 -0.42 0.00 0.00 0.00 0.00 46.02 43.96 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 -2.97 3.59 -0.23 4.61 0.00 -1.26 -4.85 121.76 120.65 2diy s ALA 110 Ca 0.00 0.99 -0.06 0.00 0.00 0.00 0.00 51.96 52.89 2diy s ALA 110 Cb 0.00 -3.58 0.11 0.00 0.00 0.00 0.00 23.12 19.65 2diy s ALA 110 CO 0.00 -0.82 0.45 -1.01 0.00 0.00 0.00 175.76 174.38 2diy s HIS 111 N 1.95 -0.92 -0.04 0.00 4.02 -1.26 -5.06 115.29 113.98 2diy s HIS 111 Ca 0.65 1.47 -0.17 0.00 1.02 0.00 0.00 55.06 58.02 2diy s HIS 111 Cb -0.34 0.31 -0.11 0.00 -1.02 0.00 0.00 32.58 31.43 2diy s HIS 111 CO 0.28 -0.58 0.73 0.00 1.02 0.00 0.00 174.74 176.19 2diy h ALA 112 N 8.14 -0.49 -0.30 -1.40 0.00 -1.98 -2.73 119.26 120.50 2diy h ALA 112 Ca -0.17 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.47 2diy h ALA 112 Cb 1.12 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 2diy h ALA 112 CO 0.16 -0.48 -0.29 -1.00 0.00 0.00 0.00 179.25 177.64 2diy h PRO 113 N -1.07 0.73 -0.93 0.00 0.13 -2.01 -3.15 132.00 125.69 2diy h PRO 113 Ca -0.05 -0.38 0.05 0.00 -0.87 0.00 0.00 66.00 64.74 2diy h PRO 113 Cb 0.46 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 31.54 2diy h PRO 113 CO 0.08 1.00 0.61 1.49 -0.23 0.00 0.00 178.00 180.95 2diy h GLU 114 N 0.48 1.11 0.33 0.86 4.57 -1.98 -2.07 114.58 117.87 2diy h GLU 114 Ca 0.05 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 2diy h GLU 114 Cb 0.87 -0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 29.20 2diy h GLU 114 CO 0.07 0.73 -0.21 1.25 -1.18 0.00 0.00 179.01 179.68 2diy h LEU 115 N 1.14 -0.52 -0.11 1.64 5.85 -1.45 -2.61 115.31 119.25 2diy h LEU 115 Ca 0.38 0.03 0.04 0.00 0.84 0.00 0.00 57.88 59.17 2diy h LEU 115 Cb 0.07 0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 2diy h LEU 115 CO -0.13 -0.33 -0.14 0.74 -0.34 0.00 0.00 178.44 178.24 2diy h THR 116 N -0.52 0.62 -0.55 1.05 2.02 -1.46 -0.29 112.91 113.79 2diy h THR 116 Ca -0.03 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.21 2diy h THR 116 Cb 0.43 0.62 -0.09 0.00 -1.74 0.00 0.00 68.15 67.37 2diy h THR 116 CO 0.03 0.00 -0.56 0.11 0.37 0.00 0.00 175.52 175.46 2diy h LYS 117 N -0.18 -0.29 -0.45 6.66 1.57 -1.26 0.23 116.57 122.85 2diy h LYS 117 Ca 0.09 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.91 2diy h LYS 117 Cb 0.31 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 2diy h LYS 117 CO -0.22 -0.19 0.25 0.87 -0.57 0.00 0.00 179.45 179.58 2diy h LYS 118 N -0.30 0.48 0.18 3.15 1.57 -1.25 -0.40 116.57 120.00 2diy h LYS 118 Ca 0.09 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2diy h LYS 118 Cb 0.55 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.72 2diy h LYS 118 CO -0.68 0.31 -0.42 0.28 -0.57 0.00 0.00 179.45 178.38 2diy h VAL 119 N 0.49 0.00 0.12 0.50 2.07 0.51 0.17 116.25 120.11 2diy h VAL 119 Ca 0.19 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.73 2diy h VAL 119 Cb 0.06 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.80 2diy h VAL 119 CO -0.11 0.00 -0.27 1.56 0.02 0.00 0.00 177.57 178.77 2diy h GLN 120 N -0.66 -0.46 -0.37 1.57 1.08 -0.52 0.42 115.11 116.17 2diy h GLN 120 Ca -0.02 0.03 0.07 0.00 -1.45 0.00 0.00 58.65 57.28 2diy h GLN 120 Cb 0.63 0.11 -0.09 0.00 -0.05 0.00 0.00 27.48 28.08 2diy h GLN 120 CO -0.18 -0.31 -0.39 -0.09 -0.95 0.00 0.00 178.83 176.91 2diy h ARG 121 N -0.48 -0.31 0.00 1.46 2.43 -0.90 0.27 114.38 116.85 2diy h ARG 121 Ca 0.03 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.18 2diy h ARG 121 Cb 0.51 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 2diy h ARG 121 CO -0.16 -0.21 -0.18 0.45 -1.51 0.00 0.00 179.97 178.37 2diy h HIS 122 N -0.32 0.00 -0.14 2.20 3.86 -0.41 -2.27 115.15 118.07 2diy h HIS 122 Ca 0.14 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.32 2diy h HIS 122 Cb 0.57 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.02 2diy h HIS 122 CO -0.57 0.18 0.04 0.00 0.86 0.00 0.00 177.93 178.43 2diy n ALA 123 N -2.31 2.87 -4.17 2.45 0.00 0.14 -4.84 120.51 114.66 2diy n ALA 123 Ca -0.02 -0.42 -0.35 0.00 0.00 0.00 0.00 53.44 52.65 2diy n ALA 123 Cb 0.29 -1.05 -0.02 0.00 0.00 0.00 0.00 19.45 18.68 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 0.14 -3.25 -4.05 0.00 7.64 -0.85 -0.85 113.62 112.40 2diy n SER 124 Ca 0.07 -0.99 -0.35 0.00 1.01 0.00 0.00 58.87 58.62 2diy n SER 124 Cb 0.53 -2.91 -0.07 0.00 -1.01 0.00 0.00 64.21 60.76 2diy n SER 124 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2diy n SER 125 N -2.70 -1.29 0.00 6.43 2.88 -0.31 -4.47 113.62 114.15 2diy n SER 125 Ca 0.04 -1.05 0.00 0.00 -1.33 0.00 0.00 58.87 56.53 2diy n SER 125 Cb 0.51 -1.34 0.00 0.00 -0.75 0.00 0.00 64.21 62.63 2diy n SER 125 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2diy n GLY 126 N -1.11 2.48 0.00 0.46 0.00 -0.03 -4.83 105.19 102.16 2diy n GLY 126 Ca 0.06 -1.92 0.06 0.00 0.00 0.00 0.00 46.02 44.22 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 -1.69 0.49 -1.30 1.61 -0.04 -1.26 -4.84 135.00 127.97 2diy n PRO 127 Ca 0.00 0.00 -0.55 0.00 -0.04 0.00 0.00 63.50 62.91 2diy n PRO 127 Cb 0.00 -1.36 -0.13 0.00 -0.04 0.00 0.00 33.50 31.97 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 -0.86 0.63 -4.41 3.54 3.41 -1.26 -4.89 113.62 109.78 2diy n SER 128 Ca 0.09 0.55 -0.20 0.00 -0.26 0.00 0.00 58.87 59.05 2diy n SER 128 Cb 0.04 -0.90 -0.10 0.00 -0.26 0.00 0.00 64.21 62.99 2diy n SER 128 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2diy s SER 129 N 6.66 2.50 0.00 4.04 0.01 -1.26 -4.98 113.70 120.66 2diy s SER 129 Ca 1.23 -1.23 0.00 0.00 1.31 0.00 0.00 55.95 57.26 2diy s SER 129 Cb -1.43 -0.12 0.00 0.00 0.21 0.00 0.00 66.02 64.68 2diy s SER 129 CO 0.61 -0.42 0.00 0.61 0.41 0.00 0.00 173.24 174.45