#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 6.20 0.13 1.61 0.15 -1.26 -4.93 113.70 115.60 2diy s SER 2 Ca 0.00 -1.19 -0.20 0.00 0.70 0.00 0.00 55.95 55.26 2diy s SER 2 Cb 0.00 -2.32 -0.03 0.00 -1.71 0.00 0.00 66.02 61.97 2diy s SER 2 CO 0.00 -1.09 1.70 -1.28 1.20 0.00 0.00 173.24 173.77 2diy h SER 3 N 9.18 -0.22 0.00 5.45 0.87 -2.12 -3.48 113.55 123.22 2diy h SER 3 Ca -0.29 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.34 2diy h SER 3 Cb 1.09 0.14 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 2diy h SER 3 CO 1.07 -0.08 0.00 0.61 -0.53 0.00 0.00 176.83 177.90 2diy n GLY 4 N -1.21 -0.57 3.87 5.77 0.00 -1.26 -5.13 105.19 106.65 2diy n GLY 4 Ca -0.02 -0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 2diy n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2diy s SER 5 N -4.00 6.55 0.08 1.61 0.15 -1.26 -5.02 113.70 111.81 2diy s SER 5 Ca 0.00 0.65 -0.28 0.00 0.70 0.00 0.00 55.95 57.02 2diy s SER 5 Cb 0.00 -2.13 -0.12 0.00 -1.71 0.00 0.00 66.02 62.06 2diy s SER 5 CO 0.00 0.35 1.44 0.28 1.20 0.00 0.00 173.24 176.51 2diy h SER 6 N 4.70 -1.27 0.00 5.45 0.02 -2.04 -3.48 113.55 116.92 2diy h SER 6 Ca -0.53 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 2diy h SER 6 Cb 1.22 0.47 0.00 0.00 0.14 0.00 0.00 62.40 64.23 2diy h SER 6 CO 0.61 -0.45 0.00 0.61 -1.14 0.00 0.00 176.83 176.46 2diy n GLY 7 N -1.39 -0.66 3.15 -3.77 0.00 -1.26 -5.13 105.19 96.13 2diy n GLY 7 Ca -0.07 -0.52 0.05 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.84 0.38 1.09 1.61 -2.45 -1.26 -5.16 119.30 112.67 2diy s MET 8 Ca 0.00 0.54 -0.15 0.00 -1.25 0.00 0.00 55.69 54.82 2diy s MET 8 Cb 0.00 0.28 0.15 0.00 1.25 0.00 0.00 34.83 36.51 2diy s MET 8 CO 0.00 -0.55 0.48 0.00 1.05 0.00 0.00 175.02 176.00 2diy n ALA 9 N 5.37 -3.23 -2.68 4.11 0.00 -1.26 -5.02 120.51 117.80 2diy n ALA 9 Ca 0.01 -1.08 -0.31 0.00 0.00 0.00 0.00 53.44 52.06 2diy n ALA 9 Cb 0.54 -1.77 -0.16 0.00 0.00 0.00 0.00 19.45 18.05 2diy n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2diy s ALA 10 N -2.35 2.12 0.00 0.00 0.00 -1.26 -5.13 121.76 115.15 2diy s ALA 10 Ca 0.61 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 51.53 2diy s ALA 10 Cb -0.19 -0.64 0.00 0.00 0.00 0.00 0.00 23.12 22.29 2diy s ALA 10 CO 0.65 0.42 0.00 0.41 0.00 0.00 0.00 175.76 177.25 2diy n GLY 11 N 2.88 6.14 3.01 0.00 0.00 -1.26 -5.17 105.19 110.79 2diy n GLY 11 Ca -0.17 -1.97 -0.10 0.00 0.00 0.00 0.00 46.02 43.78 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 -2.05 0.27 -0.79 4.61 0.00 -1.26 -5.10 121.76 117.44 2diy s ALA 12 Ca 0.00 -0.67 -0.24 0.00 0.00 0.00 0.00 51.96 51.05 2diy s ALA 12 Cb 0.00 0.12 0.05 0.00 0.00 0.00 0.00 23.12 23.30 2diy s ALA 12 CO 0.00 -0.13 1.21 0.00 0.00 0.00 0.00 175.76 176.84 2diy s ALA 13 N -1.55 2.90 0.91 0.00 0.00 -1.26 -5.01 121.76 117.76 2diy s ALA 13 Ca -0.13 -1.81 -0.11 0.00 0.00 0.00 0.00 51.96 49.91 2diy s ALA 13 Cb -0.09 -4.18 0.11 0.00 0.00 0.00 0.00 23.12 18.95 2diy s ALA 13 CO -0.01 -3.18 0.93 0.39 0.00 0.00 0.00 175.76 173.89 2diy n GLU 14 N 8.55 -0.33 -4.48 0.00 4.71 -1.26 -5.00 120.64 122.82 2diy n GLU 14 Ca 0.09 -0.04 -0.34 0.00 -0.01 0.00 0.00 57.16 56.87 2diy n GLU 14 Cb 0.48 -2.23 -0.12 0.00 -1.01 0.00 0.00 31.44 28.56 2diy n GLU 14 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2diy s ALA 15 N -2.50 2.93 -0.15 0.62 0.00 -1.26 -5.10 121.76 116.30 2diy s ALA 15 Ca 0.65 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.78 2diy s ALA 15 Cb -0.23 -1.48 0.02 0.00 0.00 0.00 0.00 23.12 21.43 2diy s ALA 15 CO 0.60 0.24 -0.13 0.00 0.00 0.00 0.00 175.76 176.47 2diy s ALA 16 N 0.30 1.81 -0.15 0.00 0.00 -1.26 -5.12 121.76 117.34 2diy s ALA 16 Ca -0.05 -0.89 -0.05 0.00 0.00 0.00 0.00 51.96 50.97 2diy s ALA 16 Cb -0.14 -1.06 -0.03 0.00 0.00 0.00 0.00 23.12 21.88 2diy s ALA 16 CO 0.03 -0.44 0.01 0.08 0.00 0.00 0.00 175.76 175.45 2diy s VAL 17 N 1.51 4.32 -0.68 0.00 1.01 -1.26 -5.01 120.40 120.29 2diy s VAL 17 Ca 0.04 -0.21 -0.02 0.00 0.00 0.00 0.00 61.98 61.79 2diy s VAL 17 Cb -0.13 -2.90 0.43 0.00 0.00 0.00 0.00 36.38 33.79 2diy s VAL 17 CO -0.10 0.51 2.00 0.00 0.00 0.00 0.00 175.10 177.51 2diy n ALA 18 N 3.16 6.32 -2.48 5.51 0.00 -1.26 -4.95 120.51 126.82 2diy n ALA 18 Ca -0.17 -3.60 -0.22 0.00 0.00 0.00 0.00 53.44 49.44 2diy n ALA 18 Cb 0.53 -1.75 -0.12 0.00 0.00 0.00 0.00 19.45 18.11 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 -3.86 1.95 -0.43 0.00 0.00 -1.26 -2.66 121.76 115.50 2diy s ALA 19 Ca 0.62 -1.43 -0.26 0.00 0.00 0.00 0.00 51.96 50.89 2diy s ALA 19 Cb 0.49 -0.20 0.02 0.00 0.00 0.00 0.00 23.12 23.44 2diy s ALA 19 CO -0.08 0.27 0.97 0.54 0.00 0.00 0.00 175.76 177.46 2diy s VAL 20 N -1.82 4.46 0.42 0.00 0.11 -1.26 -4.62 120.40 117.69 2diy s VAL 20 Ca 0.13 1.02 -0.22 0.00 -2.93 0.00 0.00 61.98 59.99 2diy s VAL 20 Cb -0.07 -4.43 -0.10 0.00 -1.53 0.00 0.00 36.38 30.24 2diy s VAL 20 CO 0.06 -0.76 0.96 -1.61 -3.33 0.00 0.00 175.10 170.43 2diy s GLU 21 N 3.79 4.22 -0.17 1.54 0.41 -0.50 -4.90 118.70 123.09 2diy s GLU 21 Ca 0.40 1.20 -0.14 0.00 -0.41 0.00 0.00 54.97 56.02 2diy s GLU 21 Cb -0.10 -2.27 -0.05 0.00 -1.78 0.00 0.00 34.13 29.93 2diy s GLU 21 CO 0.24 -0.04 0.29 -1.83 -0.49 0.00 0.00 175.26 173.43 2diy s GLU 22 N -3.00 4.23 -0.46 1.61 1.03 -1.26 -1.74 118.70 119.11 2diy s GLU 22 Ca 0.61 0.07 -0.11 0.00 0.03 0.00 0.00 54.97 55.56 2diy s GLU 22 Cb -0.12 -3.45 0.09 0.00 -0.80 0.00 0.00 34.13 29.86 2diy s GLU 22 CO 0.16 0.19 0.34 0.08 -1.33 0.00 0.00 175.26 174.70 2diy s VAL 23 N 0.61 4.53 -0.38 1.83 1.01 0.53 -4.90 120.40 123.63 2diy s VAL 23 Ca 0.16 -1.45 0.05 0.00 0.00 0.00 0.00 61.98 60.74 2diy s VAL 23 Cb -0.13 -3.83 0.47 0.00 0.00 0.00 0.00 36.38 32.89 2diy s VAL 23 CO 0.04 -0.63 1.48 0.61 0.00 0.00 0.00 175.10 176.60 2diy n GLY 24 N 5.01 5.80 3.64 4.51 0.00 -1.26 -3.30 105.19 119.59 2diy n GLY 24 Ca -0.10 -2.11 -0.05 0.00 0.00 0.00 0.00 46.02 43.75 2diy n GLY 24 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2diy s SER 25 N -2.84 -0.21 0.21 1.61 1.04 -1.26 -4.87 113.70 107.37 2diy s SER 25 Ca 0.52 0.41 -0.10 0.00 0.48 0.00 0.00 55.95 57.27 2diy s SER 25 Cb 0.43 0.42 0.18 0.00 0.10 0.00 0.00 66.02 67.16 2diy s SER 25 CO 0.01 -0.07 1.87 0.00 0.98 0.00 0.00 173.24 176.03 2diy h ALA 26 N 3.58 0.96 -1.00 5.32 0.00 -1.93 -2.39 119.26 123.80 2diy h ALA 26 Ca -0.28 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 54.70 2diy h ALA 26 Cb 1.19 -0.28 -0.08 0.00 0.00 0.00 0.00 17.79 18.62 2diy h ALA 26 CO 0.15 0.32 0.63 0.78 0.00 0.00 0.00 179.25 181.13 2diy h GLY 27 N 0.97 1.59 0.96 0.00 0.00 -1.98 -0.28 103.07 104.33 2diy h GLY 27 Ca 0.29 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 2diy h GLY 27 CO -0.08 0.21 -0.08 -1.61 0.00 0.00 0.00 176.54 174.98 2diy h GLN 28 N 1.04 -0.21 0.65 4.80 4.15 -1.84 -1.40 115.11 122.30 2diy h GLN 28 Ca 0.48 0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.88 2diy h GLN 28 Cb 0.40 0.05 0.01 0.00 0.21 0.00 0.00 27.48 28.15 2diy h GLN 28 CO -0.24 -0.11 -0.31 0.35 -1.93 0.00 0.00 178.83 176.60 2diy h PHE 29 N -0.26 -0.80 -1.21 3.99 3.57 -1.31 0.19 116.94 121.11 2diy h PHE 29 Ca -0.02 -0.02 0.38 0.00 3.53 0.00 0.00 57.97 61.84 2diy h PHE 29 Cb 0.20 0.27 -0.12 0.00 2.79 0.00 0.00 35.95 39.08 2diy h PHE 29 CO -0.06 -0.50 0.77 0.93 -2.23 0.00 0.00 178.31 177.23 2diy h GLU 30 N -0.95 0.18 0.13 1.11 5.08 -1.12 0.11 114.58 119.12 2diy h GLU 30 Ca -0.09 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 2diy h GLU 30 Cb 0.66 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.87 2diy h GLU 30 CO 0.15 0.12 -0.06 1.49 -1.00 0.00 0.00 179.01 179.70 2diy h GLU 31 N 0.19 -0.16 -0.53 2.33 4.81 -1.04 -3.24 114.58 116.93 2diy h GLU 31 Ca 0.75 0.01 0.15 0.00 -0.13 0.00 0.00 59.36 60.15 2diy h GLU 31 Cb 2.20 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 31.59 2diy h GLU 31 CO -0.40 0.25 0.51 1.25 -0.73 0.00 0.00 179.01 179.89 2diy h LEU 32 N -0.93 0.00 -0.77 1.64 5.85 0.12 -0.15 115.31 121.06 2diy h LEU 32 Ca -0.02 0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.81 2diy h LEU 32 Cb 0.49 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.44 2diy h LEU 32 CO 0.03 0.00 0.40 -0.07 -0.34 0.00 0.00 178.44 178.45 2diy h LEU 33 N 0.00 0.51 0.16 2.25 3.38 -0.89 0.25 115.31 120.97 2diy h LEU 33 Ca 0.25 0.07 -0.21 0.00 0.09 0.00 0.00 57.88 58.08 2diy h LEU 33 Cb 1.28 -0.02 0.02 0.00 0.09 0.00 0.00 40.66 42.04 2diy h LEU 33 CO -0.00 0.27 -0.93 0.08 0.09 0.00 0.00 178.44 177.95 2diy h ARG 34 N 0.64 0.35 0.38 1.13 0.11 -1.18 -3.02 114.38 112.80 2diy h ARG 34 Ca 0.39 -0.59 -0.00 0.00 0.10 0.00 0.00 59.98 59.88 2diy h ARG 34 Cb 0.45 0.22 -0.02 0.00 1.11 0.00 0.00 29.97 31.72 2diy h ARG 34 CO -0.29 1.28 -0.37 -0.07 0.10 0.00 0.00 179.97 180.62 2diy h LEU 35 N -0.26 -1.00 -3.67 0.08 3.38 -1.18 -2.46 115.31 110.20 2diy h LEU 35 Ca -0.16 0.08 -0.44 0.00 0.09 0.00 0.00 57.88 57.45 2diy h LEU 35 Cb 1.73 0.33 -0.19 0.00 0.09 0.00 0.00 40.66 42.62 2diy h LEU 35 CO 0.17 -0.52 0.57 0.29 0.09 0.00 0.00 178.44 179.05 2diy n LYS 36 N -5.47 2.10 -0.01 1.13 4.76 0.86 -4.45 118.16 117.07 2diy n LYS 36 Ca -0.10 -2.14 -0.17 0.00 -2.87 0.00 0.00 58.31 53.03 2diy n LYS 36 Cb 0.37 -1.84 -0.09 0.00 -1.84 0.00 0.00 35.03 31.63 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 1.67 0.18 -0.23 7.82 0.00 -1.30 -3.30 119.26 124.11 2diy h ALA 37 Ca 0.39 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2diy h ALA 37 Cb 0.87 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2diy h ALA 37 CO 1.03 0.46 0.15 0.87 0.00 0.00 0.00 179.25 181.77 2diy h LYS 38 N 0.18 0.29 -7.41 0.00 1.79 -1.81 -3.15 116.57 106.46 2diy h LYS 38 Ca -0.06 -0.02 -0.46 0.00 -2.18 0.00 0.00 60.65 57.93 2diy h LYS 38 Cb 1.30 -0.07 0.08 0.00 -1.58 0.00 0.00 32.23 31.97 2diy h LYS 38 CO 0.13 0.20 0.30 -1.12 -1.08 0.00 0.00 179.45 177.87 2diy s SER 39 N -5.40 4.80 -0.13 0.86 0.01 -1.24 -4.94 113.70 107.66 2diy s SER 39 Ca -0.13 0.63 -0.28 0.00 1.31 0.00 0.00 55.95 57.48 2diy s SER 39 Cb 0.09 -1.25 -0.01 0.00 0.21 0.00 0.00 66.02 65.05 2diy s SER 39 CO 0.70 -1.65 0.93 -0.22 0.41 0.00 0.00 173.24 173.41 2diy s LEU 40 N -5.35 4.22 -0.09 2.44 2.96 -1.25 -4.72 118.68 116.89 2diy s LEU 40 Ca 0.60 1.39 -0.07 0.00 -0.22 0.00 0.00 54.13 55.83 2diy s LEU 40 Cb -0.11 -3.43 -0.04 0.00 0.50 0.00 0.00 46.19 43.11 2diy s LEU 40 CO 0.47 -0.42 0.18 -0.22 -1.32 0.00 0.00 176.35 175.03 2diy s LEU 41 N 2.04 4.39 -0.28 -0.68 2.96 -1.02 -0.90 118.68 125.19 2diy s LEU 41 Ca 0.44 0.50 -0.01 0.00 -0.22 0.00 0.00 54.13 54.84 2diy s LEU 41 Cb -0.18 -2.23 0.09 0.00 0.50 0.00 0.00 46.19 44.37 2diy s LEU 41 CO 0.16 0.37 0.07 -0.69 -1.32 0.00 0.00 176.35 174.93 2diy s VAL 42 N -1.09 0.94 -0.47 1.68 1.01 -0.24 -2.00 120.40 120.22 2diy s VAL 42 Ca 0.18 -1.25 -0.20 0.00 0.00 0.00 0.00 61.98 60.72 2diy s VAL 42 Cb -0.13 -1.60 0.04 0.00 0.00 0.00 0.00 36.38 34.70 2diy s VAL 42 CO 0.08 -0.51 0.62 -0.69 0.00 0.00 0.00 175.10 174.59 2diy s VAL 43 N 1.61 4.86 -0.24 2.92 1.01 -0.85 -1.70 120.40 128.02 2diy s VAL 43 Ca 0.06 -0.22 -0.10 0.00 0.00 0.00 0.00 61.98 61.72 2diy s VAL 43 Cb -0.17 -4.24 -0.05 0.00 0.00 0.00 0.00 36.38 31.91 2diy s VAL 43 CO -0.19 -0.69 0.15 -2.28 0.00 0.00 0.00 175.10 172.09 2diy s HIS 44 N 2.70 3.31 -0.43 5.22 5.65 -0.40 -0.09 115.29 131.24 2diy s HIS 44 Ca 0.18 0.21 -0.27 0.00 0.25 0.00 0.00 55.06 55.43 2diy s HIS 44 Cb -0.17 -2.26 0.02 0.00 -1.18 0.00 0.00 32.58 29.00 2diy s HIS 44 CO 0.15 0.07 1.00 -0.06 -0.65 0.00 0.00 174.74 175.24 2diy s PHE 45 N 1.03 2.95 0.07 3.88 0.40 0.13 -2.24 117.98 124.20 2diy s PHE 45 Ca 0.07 0.65 0.08 0.00 -0.60 0.00 0.00 56.93 57.13 2diy s PHE 45 Cb -0.13 -3.99 -0.04 0.00 0.51 0.00 0.00 43.02 39.37 2diy s PHE 45 CO 0.04 -1.05 -0.18 1.67 0.70 0.00 0.00 175.22 176.41 2diy s TRP 46 N 3.87 2.56 0.01 0.36 1.48 -0.99 -3.35 118.94 122.88 2diy s TRP 46 Ca 0.41 -0.25 0.05 0.00 -1.06 0.00 0.00 56.10 55.25 2diy s TRP 46 Cb -0.10 -1.42 -0.02 0.00 -1.16 0.00 0.00 33.47 30.77 2diy s TRP 46 CO 0.25 0.31 -0.15 0.00 -4.06 0.00 0.00 176.95 173.30 2diy s ALA 47 N -1.02 1.23 -2.00 2.67 0.00 -1.26 -3.32 121.76 118.06 2diy s ALA 47 Ca 0.16 -0.71 0.11 0.00 0.00 0.00 0.00 51.96 51.52 2diy s ALA 47 Cb -0.11 -0.27 0.66 0.00 0.00 0.00 0.00 23.12 23.40 2diy s ALA 47 CO 0.07 0.28 1.09 -0.35 0.00 0.00 0.00 175.76 176.86 2diy n PRO 48 N 2.42 0.49 -0.01 0.00 -0.04 -1.26 -3.24 135.00 133.37 2diy n PRO 48 Ca -0.16 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.29 2diy n PRO 48 Cb 0.55 -1.35 -0.00 0.00 -0.04 0.00 0.00 33.50 32.65 2diy n PRO 48 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2diy n TRP 49 N -0.85 0.00 -1.66 0.54 4.27 -1.26 -5.01 117.44 113.47 2diy n TRP 49 Ca 0.08 0.00 -0.46 0.00 -3.89 0.00 0.00 57.50 53.24 2diy n TRP 49 Cb 0.04 -0.04 -0.04 0.00 -1.36 0.00 0.00 31.31 29.90 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 -2.91 1.21 0.15 -1.67 0.00 -1.20 -4.86 120.51 111.22 2diy n ALA 50 Ca -0.02 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2diy n ALA 50 Cb 0.52 -2.60 0.26 0.00 0.00 0.00 0.00 19.45 17.63 2diy n ALA 50 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2diy h PRO 51 N 10.20 0.04 -0.53 0.00 0.13 -1.95 -3.26 132.00 136.63 2diy h PRO 51 Ca -0.48 -0.02 0.09 0.00 -0.87 0.00 0.00 66.00 64.72 2diy h PRO 51 Cb 1.26 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.28 2diy h PRO 51 CO 0.95 0.52 -0.37 1.96 -0.23 0.00 0.00 178.00 180.82 2diy h GLN 52 N 0.03 -0.21 -1.00 0.86 4.20 -1.94 0.47 115.11 117.53 2diy h GLN 52 Ca -0.00 0.01 0.29 0.00 0.06 0.00 0.00 58.65 59.01 2diy h GLN 52 Cb 0.87 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.66 2diy h GLN 52 CO 0.06 -0.14 1.20 0.00 -0.67 0.00 0.00 178.83 179.28 2diy h ALA 54 N 0.54 -0.43 0.17 0.00 0.00 -0.25 0.37 119.26 119.66 2diy h ALA 54 Ca 0.47 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.37 2diy h ALA 54 Cb 2.86 0.58 0.00 0.00 0.00 0.00 0.00 17.79 21.23 2diy h ALA 54 CO -0.00 -0.43 -0.08 -0.56 0.00 0.00 0.00 179.25 178.17 2diy h GLN 55 N -0.01 -0.22 -0.31 0.00 3.07 -1.47 -3.23 115.11 112.94 2diy h GLN 55 Ca 0.00 0.02 0.03 0.00 0.09 0.00 0.00 58.65 58.79 2diy h GLN 55 Cb 0.01 0.05 -0.05 0.00 0.08 0.00 0.00 27.48 27.57 2diy h GLN 55 CO -0.01 -0.07 -0.34 0.52 0.09 0.00 0.00 178.83 179.02 2diy h MET 56 N -0.33 -0.19 -0.72 0.06 2.86 -1.46 -0.97 114.93 114.19 2diy h MET 56 Ca -0.02 0.01 0.12 0.00 -2.06 0.00 0.00 59.70 57.75 2diy h MET 56 Cb 0.26 0.04 -0.12 0.00 0.06 0.00 0.00 31.60 31.84 2diy h MET 56 CO 0.04 -0.13 -0.25 -1.71 1.06 0.00 0.00 176.91 175.92 2diy n ASN 57 N -4.32 -0.41 0.16 1.22 5.15 0.13 0.57 115.26 117.76 2diy n ASN 57 Ca -0.02 1.25 -0.14 0.00 -0.60 0.00 0.00 54.58 55.07 2diy n ASN 57 Cb 0.20 -0.31 -0.07 0.00 -0.53 0.00 0.00 39.78 39.07 2diy n ASN 57 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 2diy h GLU 58 N 0.00 -0.59 -0.83 1.20 5.08 -1.21 -2.30 114.58 115.93 2diy h GLU 58 Ca 0.28 0.04 0.21 0.00 -1.00 0.00 0.00 59.36 58.88 2diy h GLU 58 Cb 0.45 0.13 -0.14 0.00 0.50 0.00 0.00 28.75 29.70 2diy h GLU 58 CO -0.72 -0.39 0.15 0.28 -1.00 0.00 0.00 179.01 177.33 2diy h VAL 59 N -0.61 0.34 0.46 3.13 2.07 0.73 -1.84 116.25 120.54 2diy h VAL 59 Ca 0.01 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 2diy h VAL 59 Cb 0.59 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 2diy h VAL 59 CO -0.12 0.03 -0.35 0.24 0.02 0.00 0.00 177.57 177.39 2diy h MET 60 N 0.18 -0.75 -0.98 1.57 2.86 -0.74 -1.81 114.93 115.25 2diy h MET 60 Ca 0.49 0.05 0.32 0.00 -2.06 0.00 0.00 59.70 58.50 2diy h MET 60 Cb 0.94 0.17 -0.18 0.00 0.06 0.00 0.00 31.60 32.59 2diy h MET 60 CO -0.65 -0.50 0.25 0.00 1.06 0.00 0.00 176.91 177.07 2diy h ALA 61 N -1.29 1.56 -0.79 6.32 0.00 -0.88 1.13 119.26 125.31 2diy h ALA 61 Ca -0.06 0.30 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 2diy h ALA 61 Cb 0.65 0.46 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 2diy h ALA 61 CO 0.02 -0.69 0.32 0.93 0.00 0.00 0.00 179.25 179.83 2diy h GLU 62 N 0.04 1.17 -0.24 0.00 4.39 -1.02 -2.95 114.58 115.97 2diy h GLU 62 Ca 0.69 -0.21 -0.12 0.00 0.34 0.00 0.00 59.36 60.05 2diy h GLU 62 Cb 1.59 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 30.04 2diy h GLU 62 CO -0.83 0.94 -0.34 -0.07 -1.16 0.00 0.00 179.01 177.55 2diy h LEU 63 N 1.14 0.71 -0.67 1.33 3.38 0.20 -2.50 115.31 118.90 2diy h LEU 63 Ca 0.26 -0.51 0.06 0.00 0.09 0.00 0.00 57.88 57.78 2diy h LEU 63 Cb 0.20 -0.20 -0.08 0.00 0.09 0.00 0.00 40.66 40.67 2diy h LEU 63 CO -0.02 1.08 -0.40 0.00 0.09 0.00 0.00 178.44 179.19 2diy n ALA 64 N -2.50 -0.43 -0.06 1.53 0.00 0.75 0.11 120.51 119.90 2diy n ALA 64 Ca -0.05 0.57 -0.12 0.00 0.00 0.00 0.00 53.44 53.84 2diy n ALA 64 Cb 0.50 0.05 -0.06 0.00 0.00 0.00 0.00 19.45 19.94 2diy n ALA 64 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2diy h LYS 65 N 0.00 0.31 -0.99 0.00 2.10 -1.52 -3.02 116.57 113.44 2diy h LYS 65 Ca 0.11 -0.11 0.29 0.00 -2.00 0.00 0.00 60.65 58.95 2diy h LYS 65 Cb 0.27 -0.02 -0.14 0.00 -0.90 0.00 0.00 32.23 31.44 2diy h LYS 65 CO -0.63 0.55 0.53 1.49 -2.00 0.00 0.00 179.45 179.39 2diy h GLU 66 N 0.04 0.36 -3.62 0.07 4.81 -0.71 -3.23 114.58 112.29 2diy h GLU 66 Ca 0.05 -0.02 -0.62 0.00 -0.13 0.00 0.00 59.36 58.63 2diy h GLU 66 Cb 0.42 -0.08 -0.40 0.00 0.63 0.00 0.00 28.75 29.32 2diy h GLU 66 CO 0.01 0.24 -0.71 -0.51 -0.73 0.00 0.00 179.01 177.30 2diy s LEU 67 N -10.44 3.47 0.29 1.64 1.43 0.12 -4.95 118.68 110.24 2diy s LEU 67 Ca -0.10 -2.38 0.25 0.00 -1.03 0.00 0.00 54.13 50.86 2diy s LEU 67 Cb 0.29 -1.28 1.03 0.00 0.03 0.00 0.00 46.19 46.26 2diy s LEU 67 CO 0.79 -0.32 1.74 1.55 0.23 0.00 0.00 176.35 180.34 2diy h PRO 68 N 7.19 0.00 -0.63 1.29 0.13 -1.62 -2.53 132.00 135.83 2diy h PRO 68 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 2diy h PRO 68 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 2diy h PRO 68 CO 0.54 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.31 2diy n GLN 69 N -2.33 2.87 -4.71 0.86 10.64 -1.26 -4.85 117.38 118.60 2diy n GLN 69 Ca 0.02 -1.81 -0.24 0.00 -1.83 0.00 0.00 57.00 53.14 2diy n GLN 69 Cb 0.23 -1.73 -0.16 0.00 -0.86 0.00 0.00 30.24 27.72 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 -1.81 1.23 -0.32 -0.39 1.01 -0.96 -3.87 120.40 115.28 2diy s VAL 70 Ca 0.32 -0.63 -0.12 0.00 0.00 0.00 0.00 61.98 61.55 2diy s VAL 70 Cb 0.22 -1.04 -0.02 0.00 0.00 0.00 0.00 36.38 35.53 2diy s VAL 70 CO 0.14 0.35 0.21 -0.55 0.00 0.00 0.00 175.10 175.25 2diy s SER 71 N -0.12 5.92 -0.28 3.32 0.15 -0.08 -4.94 113.70 117.67 2diy s SER 71 Ca 0.01 -0.38 -0.09 0.00 0.70 0.00 0.00 55.95 56.19 2diy s SER 71 Cb -0.08 -2.10 -0.02 0.00 -1.71 0.00 0.00 66.02 62.10 2diy s SER 71 CO 0.01 -0.20 0.12 -0.36 1.20 0.00 0.00 173.24 174.01 2diy s PHE 72 N 1.70 3.15 -0.02 3.44 0.08 -1.26 -1.08 117.98 123.99 2diy s PHE 72 Ca 0.06 -0.44 0.05 0.00 0.12 0.00 0.00 56.93 56.72 2diy s PHE 72 Cb -0.17 -2.31 -0.01 0.00 -0.57 0.00 0.00 43.02 39.96 2diy s PHE 72 CO 0.10 -0.38 -0.17 0.14 -0.10 0.00 0.00 175.22 174.80 2diy s VAL 73 N 1.63 1.32 -0.24 -0.44 -7.23 -0.69 -1.42 120.40 113.34 2diy s VAL 73 Ca 0.06 -0.71 0.01 0.00 -1.81 0.00 0.00 61.98 59.53 2diy s VAL 73 Cb -0.16 -1.11 0.04 0.00 0.56 0.00 0.00 36.38 35.71 2diy s VAL 73 CO 0.06 0.38 -0.12 -1.59 -0.31 0.00 0.00 175.10 173.51 2diy s LYS 74 N -0.34 2.57 -0.09 4.82 -2.85 -0.71 -1.28 119.74 121.86 2diy s LYS 74 Ca 0.05 -1.13 -0.02 0.00 -1.00 0.00 0.00 55.97 53.87 2diy s LYS 74 Cb -0.07 -2.83 -0.03 0.00 -2.06 0.00 0.00 37.83 32.83 2diy s LYS 74 CO -0.00 -0.44 0.01 -1.17 0.10 0.00 0.00 175.35 173.84 2diy s LEU 75 N 1.20 3.61 -0.40 2.77 0.20 -0.95 -0.35 118.68 124.77 2diy s LEU 75 Ca -0.03 0.16 -0.25 0.00 0.69 0.00 0.00 54.13 54.70 2diy s LEU 75 Cb -0.17 -1.83 0.02 0.00 -0.43 0.00 0.00 46.19 43.77 2diy s LEU 75 CO -0.07 0.38 0.87 -0.70 -0.29 0.00 0.00 176.35 176.54 2diy s GLU 76 N -0.89 3.71 0.24 1.98 2.12 -1.21 -2.34 118.70 122.31 2diy s GLU 76 Ca 0.13 0.34 -0.05 0.00 0.36 0.00 0.00 54.97 55.75 2diy s GLU 76 Cb -0.11 -3.84 0.46 0.00 0.26 0.00 0.00 34.13 30.89 2diy s GLU 76 CO 0.02 -0.99 1.68 0.00 -0.54 0.00 0.00 175.26 175.43 2diy h ALA 77 N 8.66 0.95 0.00 6.30 0.00 -1.85 0.34 119.26 133.65 2diy h ALA 77 Ca -0.24 0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 2diy h ALA 77 Cb 1.08 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 2diy h ALA 77 CO 0.97 -0.34 -0.56 0.93 0.00 0.00 0.00 179.25 180.25 2diy h GLU 78 N 0.26 0.00 -0.23 0.00 4.39 -1.92 -3.22 114.58 113.87 2diy h GLU 78 Ca 0.42 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.92 2diy h GLU 78 Cb 0.71 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.36 2diy h GLU 78 CO -0.51 0.56 -0.62 0.78 -1.16 0.00 0.00 179.01 178.05 2diy h GLY 79 N 2.97 0.90 -6.83 -3.84 0.00 -1.04 -3.39 103.07 91.84 2diy h GLY 79 Ca -0.01 -1.14 -0.61 0.00 0.00 0.00 0.00 47.33 45.58 2diy h GLY 79 CO 0.07 1.02 -0.74 0.14 0.00 0.00 0.00 176.54 177.03 2diy s VAL 80 N -3.97 1.75 -0.17 4.60 1.01 0.88 -4.85 120.40 119.65 2diy s VAL 80 Ca -0.11 -3.39 0.29 0.00 0.00 0.00 0.00 61.98 58.77 2diy s VAL 80 Cb 0.09 -2.17 0.32 0.00 0.00 0.00 0.00 36.38 34.62 2diy s VAL 80 CO 0.89 -1.06 1.86 1.55 0.00 0.00 0.00 175.10 178.34 2diy h PRO 81 N 5.75 0.00 0.05 2.72 0.13 -1.75 -3.19 132.00 135.70 2diy h PRO 81 Ca 0.15 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.30 2diy h PRO 81 Cb 0.84 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.95 2diy h PRO 81 CO 0.56 0.00 -0.13 1.49 -0.23 0.00 0.00 178.00 179.68 2diy h GLU 82 N 0.00 -0.24 -0.13 0.86 4.57 -1.91 -1.52 114.58 116.20 2diy h GLU 82 Ca 0.00 0.02 -0.08 0.00 -1.18 0.00 0.00 59.36 58.12 2diy h GLU 82 Cb 0.42 0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.07 2diy h GLU 82 CO 0.00 -0.16 -0.22 0.28 -1.18 0.00 0.00 179.01 177.73 2diy h VAL 83 N -0.25 1.37 -1.02 0.32 2.07 -1.95 -3.15 116.25 113.63 2diy h VAL 83 Ca 0.03 -1.47 0.25 0.00 0.82 0.00 0.00 66.70 66.33 2diy h VAL 83 Cb 0.28 2.02 -0.10 0.00 -1.52 0.00 0.00 31.29 31.96 2diy h VAL 83 CO -0.09 0.43 0.64 0.28 0.02 0.00 0.00 177.57 178.85 2diy h SER 84 N -0.03 0.53 0.72 0.57 0.02 -1.53 -1.67 113.55 112.17 2diy h SER 84 Ca 0.01 0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 61.02 2diy h SER 84 Cb 0.80 0.01 0.01 0.00 0.14 0.00 0.00 62.40 63.36 2diy h SER 84 CO 0.05 0.11 -0.35 -0.33 -1.14 0.00 0.00 176.83 175.17 2diy h GLU 85 N 0.47 -0.94 -0.72 3.45 5.08 -1.24 2.01 114.58 122.70 2diy h GLU 85 Ca 0.60 0.06 0.07 0.00 -1.00 0.00 0.00 59.36 59.09 2diy h GLU 85 Cb 1.37 0.21 -0.09 0.00 0.50 0.00 0.00 28.75 30.75 2diy h GLU 85 CO -0.35 -0.60 -0.48 -0.22 -1.00 0.00 0.00 179.01 176.37 2diy h LYS 86 N -1.16 -0.06 0.00 2.33 3.11 -1.30 0.41 116.57 119.90 2diy h LYS 86 Ca -0.10 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.74 2diy h LYS 86 Cb 0.77 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 32.01 2diy h LYS 86 CO 0.16 -0.04 -0.00 0.66 -2.81 0.00 0.00 179.45 177.42 2diy n TYR 87 N -4.84 0.66 -3.28 1.91 4.01 -1.04 -4.93 117.16 109.64 2diy n TYR 87 Ca 0.01 0.19 -0.16 0.00 -0.16 0.00 0.00 57.90 57.77 2diy n TYR 87 Cb 0.22 -0.81 0.07 0.00 -0.31 0.00 0.00 39.34 38.52 2diy n TYR 87 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2diy n GLU 88 N -2.04 -5.96 -2.61 -0.72 1.02 0.63 -4.92 120.64 106.05 2diy n GLU 88 Ca 0.06 0.70 -0.41 0.00 -0.02 0.00 0.00 57.16 57.48 2diy n GLU 88 Cb 0.40 -5.30 -0.03 0.00 -0.02 0.00 0.00 31.44 26.50 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 -3.28 3.99 -0.46 -3.67 -1.09 0.18 -4.81 121.20 112.05 2diy s ILE 89 Ca 0.20 -0.63 0.03 0.00 -2.23 0.00 0.00 60.65 58.02 2diy s ILE 89 Cb -0.09 -4.99 0.46 0.00 -1.58 0.00 0.00 42.46 36.26 2diy s ILE 89 CO 0.60 -1.86 1.60 -1.54 -1.23 0.00 0.00 174.94 172.51 2diy n SER 90 N 8.69 5.91 -3.63 3.58 3.41 -1.26 -4.88 113.62 125.43 2diy n SER 90 Ca 0.26 -3.77 -0.14 0.00 -0.26 0.00 0.00 58.87 54.95 2diy n SER 90 Cb 0.50 -0.66 -0.07 0.00 -0.26 0.00 0.00 64.21 63.72 2diy n SER 90 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2diy s SER 91 N -2.69 -0.68 0.01 4.04 1.04 -1.26 -5.18 113.70 108.99 2diy s SER 91 Ca 0.57 1.21 -0.08 0.00 0.48 0.00 0.00 55.95 58.13 2diy s SER 91 Cb 0.45 1.21 0.00 0.00 0.10 0.00 0.00 66.02 67.78 2diy s SER 91 CO 0.02 -0.29 0.15 0.68 0.98 0.00 0.00 173.24 174.77 2diy s VAL 92 N 0.07 0.09 0.89 5.02 -7.23 -1.26 -4.20 120.40 113.78 2diy s VAL 92 Ca -0.02 -0.76 -0.11 0.00 -1.81 0.00 0.00 61.98 59.27 2diy s VAL 92 Cb -0.04 -0.57 0.13 0.00 0.56 0.00 0.00 36.38 36.46 2diy s VAL 92 CO 0.02 -0.42 1.09 -2.16 -0.31 0.00 0.00 175.10 173.33 2diy s PRO 93 N -1.70 1.29 -0.30 4.82 0.04 -1.26 -4.89 135.00 133.00 2diy s PRO 93 Ca -0.12 0.83 -0.07 0.00 0.04 0.00 0.00 61.00 61.68 2diy s PRO 93 Cb -0.06 -1.81 0.16 0.00 0.04 0.00 0.00 34.50 32.83 2diy s PRO 93 CO 0.00 -2.22 0.66 0.99 0.04 0.00 0.00 177.00 176.47 2diy s THR 94 N -2.93 -0.96 0.02 1.26 2.01 -1.21 -2.31 115.64 111.51 2diy s THR 94 Ca 0.63 0.00 -0.05 0.00 0.31 0.00 0.00 61.69 62.58 2diy s THR 94 Cb -0.18 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.29 2diy s THR 94 CO 0.57 0.00 0.25 -0.36 -0.69 0.00 0.00 174.62 174.39 2diy s PHE 95 N 2.86 3.56 -0.21 4.92 0.40 0.07 0.20 117.98 129.78 2diy s PHE 95 Ca 0.05 0.50 -0.03 0.00 -0.60 0.00 0.00 56.93 56.86 2diy s PHE 95 Cb -0.13 -1.94 0.06 0.00 0.51 0.00 0.00 43.02 41.53 2diy s PHE 95 CO -0.19 0.61 0.04 -0.51 0.70 0.00 0.00 175.22 175.86 2diy s LEU 96 N -1.91 1.31 -0.08 -0.37 1.43 0.87 -1.70 118.68 118.23 2diy s LEU 96 Ca 0.29 -0.93 -0.30 0.00 -1.03 0.00 0.00 54.13 52.16 2diy s LEU 96 Cb -0.13 -0.64 -0.02 0.00 0.03 0.00 0.00 46.19 45.44 2diy s LEU 96 CO 0.18 -0.32 1.05 -0.36 0.23 0.00 0.00 176.35 177.13 2diy s PHE 97 N 1.83 3.46 -0.13 0.29 0.40 -1.09 -2.00 117.98 120.73 2diy s PHE 97 Ca 0.00 1.53 0.01 0.00 -0.60 0.00 0.00 56.93 57.87 2diy s PHE 97 Cb -0.17 -3.23 0.02 0.00 0.51 0.00 0.00 43.02 40.14 2diy s PHE 97 CO -0.10 -0.44 -0.17 -0.06 0.70 0.00 0.00 175.22 175.15 2diy s PHE 98 N 1.94 2.28 -0.33 0.36 0.08 -0.85 -2.51 117.98 118.95 2diy s PHE 98 Ca 0.50 -1.19 0.03 0.00 0.12 0.00 0.00 56.93 56.40 2diy s PHE 98 Cb -0.20 -1.62 0.10 0.00 -0.57 0.00 0.00 43.02 40.73 2diy s PHE 98 CO 0.20 -0.60 0.05 0.21 -0.10 0.00 0.00 175.22 174.98 2diy s LYS 99 N 1.12 1.36 -0.36 0.44 2.47 0.07 -2.42 119.74 122.41 2diy s LYS 99 Ca -0.02 -1.71 -0.02 0.00 -1.56 0.00 0.00 55.97 52.65 2diy s LYS 99 Cb -0.14 -2.97 0.00 0.00 -1.46 0.00 0.00 37.83 33.26 2diy s LYS 99 CO -0.05 -0.94 0.29 -1.71 0.16 0.00 0.00 175.35 173.10 2diy n ASN 100 N 4.37 -3.08 -1.95 1.43 2.85 -1.19 -3.37 115.26 114.31 2diy n ASN 100 Ca 0.02 -0.13 -0.14 0.00 -0.11 0.00 0.00 54.58 54.22 2diy n ASN 100 Cb 0.42 -1.67 0.02 0.00 1.24 0.00 0.00 39.78 39.79 2diy n ASN 100 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 2diy n SER 101 N 0.38 -4.49 -3.70 1.20 2.88 -1.26 -5.01 113.62 103.62 2diy n SER 101 Ca -0.00 -0.15 -0.12 0.00 -1.33 0.00 0.00 58.87 57.26 2diy n SER 101 Cb 0.52 -3.42 -0.13 0.00 -0.75 0.00 0.00 64.21 60.43 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 -5.17 0.21 -0.08 -1.46 -1.52 -1.22 -5.12 119.66 105.30 2diy s GLN 102 Ca 0.16 0.65 -0.30 0.00 -1.95 0.00 0.00 55.36 53.92 2diy s GLN 102 Cb -0.07 -0.07 -0.05 0.00 -0.22 0.00 0.00 33.01 32.61 2diy s GLN 102 CO 0.19 -0.21 1.59 0.21 -0.25 0.00 0.00 175.29 176.82 2diy s LYS 103 N 1.74 4.17 -0.13 2.91 2.20 -1.26 -0.75 119.74 128.63 2diy s LYS 103 Ca -0.05 2.08 0.12 0.00 -0.36 0.00 0.00 55.97 57.76 2diy s LYS 103 Cb -0.11 -3.95 -0.17 0.00 -1.51 0.00 0.00 37.83 32.09 2diy s LYS 103 CO -0.09 -0.84 0.05 0.44 -0.36 0.00 0.00 175.35 174.55 2diy n ILE 104 N 5.50 0.89 -4.11 5.43 -5.35 -1.04 -4.95 119.36 115.71 2diy n ILE 104 Ca 0.17 -0.56 -0.12 0.00 -0.27 0.00 0.00 62.75 61.97 2diy n ILE 104 Cb 0.43 -0.62 -0.07 0.00 -1.74 0.00 0.00 39.64 37.64 2diy n ILE 104 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2diy s ASP 105 N -4.61 0.41 -0.18 7.28 2.15 -1.25 -5.07 116.67 115.41 2diy s ASP 105 Ca -0.07 -1.30 -0.24 0.00 0.43 0.00 0.00 52.55 51.37 2diy s ASP 105 Cb 0.04 0.54 0.06 0.00 -0.30 0.00 0.00 42.92 43.26 2diy s ASP 105 CO 0.55 -1.08 0.63 -0.60 -0.17 0.00 0.00 175.17 174.50 2diy s ARG 106 N -3.75 0.82 -0.13 4.34 3.52 -1.26 -2.68 118.95 119.79 2diy s ARG 106 Ca 0.32 0.68 -0.01 0.00 -0.13 0.00 0.00 55.73 56.59 2diy s ARG 106 Cb 0.02 0.39 0.03 0.00 -1.56 0.00 0.00 34.95 33.84 2diy s ARG 106 CO 0.15 -0.15 -0.06 -1.17 -0.81 0.00 0.00 175.30 173.26 2diy s LEU 107 N -0.11 1.31 -0.10 -0.88 0.20 -0.69 -5.01 118.68 113.39 2diy s LEU 107 Ca -0.03 -0.45 -0.04 0.00 0.69 0.00 0.00 54.13 54.29 2diy s LEU 107 Cb -0.03 -0.83 -0.04 0.00 -0.43 0.00 0.00 46.19 44.86 2diy s LEU 107 CO 0.03 -0.16 0.08 -0.62 -0.29 0.00 0.00 176.35 175.39 2diy s ASP 108 N 1.71 5.85 0.00 3.68 2.15 -1.26 -0.75 116.67 128.04 2diy s ASP 108 Ca 0.03 0.31 0.00 0.00 0.43 0.00 0.00 52.55 53.32 2diy s ASP 108 Cb -0.14 -1.79 0.00 0.00 -0.30 0.00 0.00 42.92 40.70 2diy s ASP 108 CO -0.08 0.39 0.00 0.61 -0.17 0.00 0.00 175.17 175.93 2diy n GLY 109 N 2.04 -1.63 3.58 2.66 0.00 -0.98 -4.82 105.19 106.05 2diy n GLY 109 Ca -0.19 -1.50 -0.42 0.00 0.00 0.00 0.00 46.02 43.91 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 -3.18 2.90 -0.17 4.61 0.00 -1.26 -4.74 121.76 119.92 2diy s ALA 110 Ca 0.00 -0.51 -0.00 0.00 0.00 0.00 0.00 51.96 51.45 2diy s ALA 110 Cb 0.00 -4.04 0.04 0.00 0.00 0.00 0.00 23.12 19.12 2diy s ALA 110 CO 0.00 -2.73 -0.06 -1.01 0.00 0.00 0.00 175.76 171.96 2diy s HIS 111 N 5.76 1.81 -0.01 0.00 3.76 -1.26 -5.03 115.29 120.31 2diy s HIS 111 Ca 0.55 -1.15 -0.21 0.00 -0.15 0.00 0.00 55.06 54.09 2diy s HIS 111 Cb -0.11 -1.37 -0.13 0.00 1.11 0.00 0.00 32.58 32.09 2diy s HIS 111 CO 0.28 -0.63 0.91 0.00 -0.85 0.00 0.00 174.74 174.44 2diy h ALA 112 N 8.10 -0.64 -0.16 -1.40 0.00 -1.99 -2.59 119.26 120.57 2diy h ALA 112 Ca -0.25 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.42 2diy h ALA 112 Cb 1.11 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 2diy h ALA 112 CO 0.42 -0.63 -0.16 -1.00 0.00 0.00 0.00 179.25 177.88 2diy h PRO 113 N -1.10 0.39 -0.50 0.00 0.13 -2.00 -2.96 132.00 125.96 2diy h PRO 113 Ca -0.07 -0.21 0.08 0.00 -0.87 0.00 0.00 66.00 64.94 2diy h PRO 113 Cb 0.55 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 31.63 2diy h PRO 113 CO 0.11 0.77 0.12 1.49 -0.23 0.00 0.00 178.00 180.26 2diy h GLU 114 N 0.03 0.26 0.27 0.86 4.81 -1.99 0.23 114.58 119.05 2diy h GLU 114 Ca 0.03 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2diy h GLU 114 Cb 0.69 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.00 2diy h GLU 114 CO 0.04 0.17 -0.24 1.25 -0.73 0.00 0.00 179.01 179.51 2diy h LEU 115 N 0.27 -0.62 -0.15 1.64 5.85 -1.49 -2.23 115.31 118.58 2diy h LEU 115 Ca 0.25 0.05 0.04 0.00 0.84 0.00 0.00 57.88 59.06 2diy h LEU 115 Cb 0.31 0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.51 2diy h LEU 115 CO -0.30 -0.35 -0.12 0.74 -0.34 0.00 0.00 178.44 178.07 2diy h THR 116 N -0.52 0.65 -0.25 1.05 2.02 -1.29 0.11 112.91 114.68 2diy h THR 116 Ca -0.01 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.20 2diy h THR 116 Cb 0.47 0.65 -0.07 0.00 -1.74 0.00 0.00 68.15 67.47 2diy h THR 116 CO -0.03 0.00 -0.49 0.11 0.37 0.00 0.00 175.52 175.48 2diy h LYS 117 N -0.14 -0.41 -0.35 6.66 1.57 -0.79 0.19 116.57 123.30 2diy h LYS 117 Ca 0.09 0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.93 2diy h LYS 117 Cb 0.27 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 2diy h LYS 117 CO -0.23 -0.28 0.15 0.87 -0.57 0.00 0.00 179.45 179.39 2diy h LYS 118 N -0.43 0.30 -0.23 3.15 1.57 -1.21 -0.43 116.57 119.29 2diy h LYS 118 Ca 0.05 -0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.87 2diy h LYS 118 Cb 0.56 -0.07 -0.07 0.00 0.08 0.00 0.00 32.23 32.73 2diy h LYS 118 CO -0.47 0.20 -0.32 0.28 -0.57 0.00 0.00 179.45 178.58 2diy h VAL 119 N 0.31 0.27 -0.06 0.50 2.07 0.07 0.17 116.25 119.59 2diy h VAL 119 Ca 0.15 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.67 2diy h VAL 119 Cb 0.09 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.13 2diy h VAL 119 CO -0.13 0.00 0.04 1.56 0.02 0.00 0.00 177.57 179.06 2diy h GLN 120 N -0.34 0.08 0.19 1.57 4.20 -0.40 0.38 115.11 120.79 2diy h GLN 120 Ca 0.12 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.83 2diy h GLN 120 Cb 0.54 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.27 2diy h GLN 120 CO -0.42 0.10 -0.40 -0.09 -0.67 0.00 0.00 178.83 177.36 2diy h ARG 121 N 0.04 -0.62 -0.37 1.46 2.43 -0.52 -2.81 114.38 114.00 2diy h ARG 121 Ca 0.02 0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.24 2diy h ARG 121 Cb 0.04 0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 2diy h ARG 121 CO -0.00 -0.41 0.23 0.45 -1.51 0.00 0.00 179.97 178.73 2diy h HIS 122 N -0.64 0.44 -0.99 2.20 3.86 -0.68 -2.55 115.15 116.79 2diy h HIS 122 Ca -0.02 0.01 0.34 0.00 -1.16 0.00 0.00 60.37 59.54 2diy h HIS 122 Cb 0.61 -0.15 -0.10 0.00 1.06 0.00 0.00 27.41 28.83 2diy h HIS 122 CO -0.35 0.27 0.64 0.00 0.86 0.00 0.00 177.93 179.36 2diy n ALA 123 N -2.21 0.98 -2.19 2.45 0.00 0.13 -3.61 120.51 116.07 2diy n ALA 123 Ca 0.00 0.61 -0.35 0.00 0.00 0.00 0.00 53.44 53.71 2diy n ALA 123 Cb 0.04 -0.75 -0.04 0.00 0.00 0.00 0.00 19.45 18.70 2diy n ALA 123 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2diy s SER 124 N -4.35 5.52 0.28 0.00 0.15 -0.96 -4.86 113.70 109.48 2diy s SER 124 Ca -0.05 -0.40 -0.05 0.00 0.70 0.00 0.00 55.95 56.15 2diy s SER 124 Cb 0.22 -2.55 -0.05 0.00 -1.71 0.00 0.00 66.02 61.92 2diy s SER 124 CO 0.58 -2.31 0.54 -0.94 1.20 0.00 0.00 173.24 172.31 2diy s SER 125 N 7.03 6.47 0.31 5.45 1.04 -1.24 -5.07 113.70 127.69 2diy s SER 125 Ca 0.61 0.73 0.08 0.00 0.48 0.00 0.00 55.95 57.84 2diy s SER 125 Cb -0.08 -2.15 -0.04 0.00 0.10 0.00 0.00 66.02 63.86 2diy s SER 125 CO 0.08 -0.17 0.19 -0.83 0.98 0.00 0.00 173.24 173.49 2diy s GLY 126 N -3.04 1.75 0.24 7.32 0.00 -1.26 -5.10 107.32 107.23 2diy s GLY 126 Ca 0.44 -1.66 -0.30 0.00 0.00 0.00 0.00 44.72 43.20 2diy s GLY 126 CO 0.29 -1.63 1.27 2.56 0.00 0.00 0.00 173.10 175.59 2diy s PRO 127 N -3.88 4.42 -0.03 2.90 0.04 -1.26 -4.96 135.00 132.23 2diy s PRO 127 Ca 0.37 2.05 -0.20 0.00 0.04 0.00 0.00 61.00 63.26 2diy s PRO 127 Cb -0.05 -3.16 -0.32 0.00 0.04 0.00 0.00 34.50 31.00 2diy s PRO 127 CO 0.24 -0.16 0.93 0.77 0.04 0.00 0.00 177.00 178.83 2diy h SER 128 N 4.62 0.56 -2.19 6.66 0.02 -2.03 -3.46 113.55 117.74 2diy h SER 128 Ca -0.46 -0.94 -0.61 0.00 -0.84 0.00 0.00 61.79 58.94 2diy h SER 128 Cb 1.22 -0.18 0.15 0.00 0.14 0.00 0.00 62.40 63.73 2diy h SER 128 CO 0.72 1.46 -0.56 -0.24 -1.14 0.00 0.00 176.83 177.07 2diy n SER 129 N -4.04 -1.49 0.00 3.07 2.88 -1.26 -5.37 113.62 107.41 2diy n SER 129 Ca -0.14 0.87 0.00 0.00 -1.33 0.00 0.00 58.87 58.26 2diy n SER 129 Cb 0.88 -1.05 0.00 0.00 -0.75 0.00 0.00 64.21 63.29 2diy n SER 129 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42