#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s1i s VAL 2 N 0.00 3.77 -0.12 2.46 1.01 -1.26 -4.97 120.40 121.29 1s1i s VAL 2 Ca 0.00 1.31 -0.27 0.00 0.00 0.00 0.00 61.98 63.02 1s1i s VAL 2 Cb 0.00 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 1s1i s VAL 2 CO 0.00 -0.04 0.88 -1.61 0.00 0.00 0.00 175.10 174.34 1s1i s GLU 3 N -2.61 4.38 0.52 2.72 2.02 -1.26 -5.01 118.70 119.46 1s1i s GLU 3 Ca 0.59 1.15 -0.14 0.00 0.02 0.00 0.00 54.97 56.59 1s1i s GLU 3 Cb -0.21 -3.53 -0.07 0.00 0.10 0.00 0.00 34.13 30.42 1s1i s GLU 3 CO 0.26 -0.24 0.96 -2.14 0.02 0.00 0.00 175.26 174.12 1s1i s PRO 4 N 1.80 3.85 0.00 0.39 0.02 -1.26 -4.76 135.00 135.04 1s1i s PRO 4 Ca 0.43 0.83 0.00 0.00 0.02 0.00 0.00 61.00 62.28 1s1i s PRO 4 Cb -0.18 -2.16 0.00 0.00 0.02 0.00 0.00 34.50 32.18 1s1i s PRO 4 CO 0.16 -0.30 0.00 1.55 -0.33 0.00 0.00 177.00 178.08 1s1i n VAL 5 N -1.80 0.00 -4.02 3.83 3.14 -1.26 -4.96 118.33 113.27 1s1i n VAL 5 Ca 0.06 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 61.11 1s1i n VAL 5 Cb 0.54 -0.55 -0.15 0.00 -1.06 0.00 0.00 33.84 32.62 1s1i n VAL 5 CO 0.00 0.00 0.00 0.68 -6.46 0.00 0.00 176.83 171.05 1s1i s VAL 6 N 0.00 2.48 0.32 1.55 -7.23 -1.26 -4.97 120.40 111.29 1s1i s VAL 6 Ca 0.00 -1.39 -0.23 0.00 -1.81 0.00 0.00 61.98 58.55 1s1i s VAL 6 Cb 0.00 -2.37 -0.10 0.00 0.56 0.00 0.00 36.38 34.47 1s1i s VAL 6 CO 0.00 0.06 0.88 -0.69 -0.31 0.00 0.00 175.10 175.04 1s1i s VAL 7 N 1.20 4.35 -0.04 1.32 1.01 -1.26 -4.39 120.40 122.60 1s1i s VAL 7 Ca -0.05 1.59 0.05 0.00 0.00 0.00 0.00 61.98 63.57 1s1i s VAL 7 Cb -0.19 -3.89 -0.01 0.00 0.00 0.00 0.00 36.38 32.30 1s1i s VAL 7 CO -0.05 0.06 -0.17 0.27 0.00 0.00 0.00 175.10 175.21 1s1i s ILE 8 N -1.71 1.44 0.77 2.22 -4.36 0.41 -3.03 121.20 116.94 1s1i s ILE 8 Ca 0.51 -0.74 -0.11 0.00 -0.26 0.00 0.00 60.65 60.05 1s1i s ILE 8 Cb -0.16 -1.22 0.05 0.00 1.25 0.00 0.00 42.46 42.38 1s1i s ILE 8 CO 0.21 0.41 1.09 1.51 0.24 0.00 0.00 174.94 178.40 1s1i s ASP 9 N -0.09 4.70 -0.39 4.36 -4.77 -0.60 -0.70 116.67 119.19 1s1i s ASP 9 Ca -0.01 1.42 0.08 0.00 -3.30 0.00 0.00 52.55 50.74 1s1i s ASP 9 Cb -0.10 -2.19 0.18 0.00 -1.09 0.00 0.00 42.92 39.72 1s1i s ASP 9 CO 0.01 -1.85 0.62 -0.83 0.70 0.00 0.00 175.17 173.82 1s1i s GLY 10 N -3.84 -1.24 0.00 2.12 0.00 -0.75 -4.70 107.32 98.92 1s1i s GLY 10 Ca 0.60 0.33 0.00 0.00 0.00 0.00 0.00 44.72 45.65 1s1i s GLY 10 CO 0.55 3.65 0.00 1.17 0.00 0.00 0.00 173.10 178.47 1s1i n LYS 11 N 4.58 0.00 -1.67 2.90 4.81 -1.04 -3.98 118.16 123.75 1s1i n LYS 11 Ca 0.10 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.11 1s1i n LYS 11 Cb 0.56 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.58 1s1i n LYS 11 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1s1i s GLY 12 N 0.00 0.48 -0.28 3.14 0.00 -1.26 -3.11 107.32 106.29 1s1i s GLY 12 Ca 0.00 0.63 -0.20 0.00 0.00 0.00 0.00 44.72 45.15 1s1i s GLY 12 CO 0.00 3.74 0.93 -1.58 0.00 0.00 0.00 173.10 176.19 1s1i s HIS 13 N 8.37 -0.64 0.19 1.90 5.04 -1.26 -3.34 115.29 125.55 1s1i s HIS 13 Ca 0.97 1.38 -0.30 0.00 -1.54 0.00 0.00 55.06 55.57 1s1i s HIS 13 Cb -0.30 0.39 -0.08 0.00 0.04 0.00 0.00 32.58 32.63 1s1i s HIS 13 CO 0.34 -0.31 1.17 -0.51 -2.34 0.00 0.00 174.74 173.09 1s1i s LEU 14 N 0.90 4.46 0.04 8.88 1.43 -1.20 0.51 118.68 133.69 1s1i s LEU 14 Ca -0.04 2.20 -0.25 0.00 -1.03 0.00 0.00 54.13 55.01 1s1i s LEU 14 Cb -0.04 -3.61 -0.17 0.00 0.03 0.00 0.00 46.19 42.40 1s1i s LEU 14 CO -0.11 -0.33 1.49 -0.37 0.23 0.00 0.00 176.35 177.26 1s1i h VAL 15 N 3.73 1.05 -0.64 -1.59 -1.51 -1.75 -2.15 116.25 113.38 1s1i h VAL 15 Ca -0.45 -0.50 -0.08 0.00 -1.23 0.00 0.00 66.70 64.44 1s1i h VAL 15 Cb 1.21 1.37 -0.02 0.00 -2.13 0.00 0.00 31.29 31.72 1s1i h VAL 15 CO 0.74 0.12 0.07 1.23 -1.23 0.00 0.00 177.57 178.50 1s1i h GLY 16 N -0.35 1.17 1.56 5.19 0.00 -1.89 0.59 103.07 109.35 1s1i h GLY 16 Ca -0.01 -0.81 -0.01 0.00 0.00 0.00 0.00 47.33 46.50 1s1i h GLY 16 CO 0.02 0.75 0.20 3.21 0.00 0.00 0.00 176.54 180.72 1s1i h ARG 17 N 1.00 0.58 0.17 4.80 -0.00 -1.94 -1.82 114.38 117.18 1s1i h ARG 17 Ca 0.19 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.98 59.60 1s1i h ARG 17 Cb 0.48 -0.12 0.00 0.00 0.00 0.00 0.00 29.97 30.33 1s1i h ARG 17 CO 0.02 0.46 -0.08 1.25 0.00 0.00 0.00 179.97 181.61 1s1i h LEU 18 N 0.59 -0.20 -7.86 3.04 5.85 -0.57 -3.37 115.31 112.79 1s1i h LEU 18 Ca 0.15 -0.32 -0.70 0.00 0.84 0.00 0.00 57.88 57.85 1s1i h LEU 18 Cb 0.06 0.05 -0.15 0.00 0.37 0.00 0.00 40.66 40.99 1s1i h LEU 18 CO -0.02 0.36 1.36 0.00 -0.34 0.00 0.00 178.44 179.79 1s1i s ALA 19 N -3.63 3.55 0.00 1.25 0.00 0.20 -0.87 121.76 122.26 1s1i s ALA 19 Ca -0.12 -2.99 0.00 0.00 0.00 0.00 0.00 51.96 48.85 1s1i s ALA 19 Cb 0.00 -4.24 0.00 0.00 0.00 0.00 0.00 23.12 18.89 1s1i s ALA 19 CO 0.44 -3.02 0.00 0.43 0.00 0.00 0.00 175.76 173.61 1s1i n SER 20 N 6.74 0.00 0.00 0.00 7.64 -0.88 -4.45 113.62 122.67 1s1i n SER 20 Ca 0.34 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.22 1s1i n SER 20 Cb 0.46 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 1s1i n SER 20 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1s1i n VAL 21 N 0.00 0.00 -2.32 0.44 0.31 -0.05 -4.81 118.33 111.89 1s1i n VAL 21 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 63.98 1s1i n VAL 21 Cb 0.00 -0.64 -0.03 0.00 -0.91 0.00 0.00 33.84 32.26 1s1i n VAL 21 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1s1i s VAL 22 N -0.67 3.82 0.00 2.52 0.11 -0.86 -1.28 120.40 124.04 1s1i s VAL 22 Ca 0.00 -1.38 0.00 0.00 -2.93 0.00 0.00 61.98 57.67 1s1i s VAL 22 Cb 0.00 -4.87 0.00 0.00 -1.53 0.00 0.00 36.38 29.98 1s1i s VAL 22 CO 0.00 -1.50 0.00 0.00 -3.33 0.00 0.00 175.10 170.27 1s1i n ALA 23 N 11.42 0.00 0.00 1.54 0.00 -1.26 -4.71 120.51 127.50 1s1i n ALA 23 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1s1i n ALA 23 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 1s1i n ALA 23 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1s1i n LYS 24 N 0.00 0.00 -0.23 0.00 4.76 -0.40 -4.58 118.16 117.71 1s1i n LYS 24 Ca 0.00 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.36 1s1i n LYS 24 Cb 0.00 0.00 0.04 0.00 -1.84 0.00 0.00 35.03 33.23 1s1i n LYS 24 CO 0.00 0.00 0.00 0.37 -1.37 0.00 0.00 177.40 176.40 1s1i h GLN 25 N 0.00 1.11 -0.49 1.97 -0.00 -1.70 -0.15 115.11 115.86 1s1i h GLN 25 Ca 0.00 -0.31 -0.00 0.00 -0.00 0.00 0.00 58.65 58.33 1s1i h GLN 25 Cb 0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 27.48 27.33 1s1i h GLN 25 CO 0.00 1.03 0.29 1.25 0.00 0.00 0.00 178.83 181.40 1s1i h LEU 26 N 1.03 0.59 -0.05 -2.39 7.12 -1.77 -0.85 115.31 119.00 1s1i h LEU 26 Ca 0.20 -0.06 0.02 0.00 0.13 0.00 0.00 57.88 58.16 1s1i h LEU 26 Cb 0.48 -0.15 -0.02 0.00 -0.53 0.00 0.00 40.66 40.43 1s1i h LEU 26 CO 0.02 0.49 -0.07 0.25 -0.13 0.00 0.00 178.44 178.99 1s1i h LEU 27 N 0.65 -0.22 -1.48 2.25 6.46 -1.72 -1.26 115.31 119.99 1s1i h LEU 27 Ca 0.18 0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.98 1s1i h LEU 27 Cb 0.01 0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 40.02 1s1i h LEU 27 CO -0.03 -0.11 0.35 -0.55 -0.62 0.00 0.00 178.44 177.48 1s1i h ASN 28 N -0.10 0.60 0.00 1.25 7.08 -0.20 -3.45 115.58 120.76 1s1i h ASN 28 Ca 0.05 -0.02 0.00 0.00 -3.08 0.00 0.00 56.30 53.25 1s1i h ASN 28 Cb 0.17 -0.15 0.00 0.00 -2.08 0.00 0.00 38.32 36.26 1s1i h ASN 28 CO -0.12 0.44 0.00 0.61 -2.08 0.00 0.00 177.43 176.28 1s1i n GLY 29 N -1.45 1.30 3.57 9.14 0.00 -0.47 -5.09 105.19 112.18 1s1i n GLY 29 Ca 0.05 -0.09 -0.46 0.00 0.00 0.00 0.00 46.02 45.52 1s1i n GLY 29 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1s1i n GLN 30 N 0.00 1.18 0.20 1.61 3.00 -0.41 -4.89 117.38 118.08 1s1i n GLN 30 Ca 0.00 0.42 0.08 0.00 -0.01 0.00 0.00 57.00 57.49 1s1i n GLN 30 Cb 0.00 -1.77 0.33 0.00 0.00 0.00 0.00 30.24 28.80 1s1i n GLN 30 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.06 177.93 1s1i h LYS 31 N 2.14 0.00 0.00 -1.09 1.79 -1.87 -3.36 116.57 114.18 1s1i h LYS 31 Ca -0.39 0.00 -0.44 0.00 -2.18 0.00 0.00 60.65 57.64 1s1i h LYS 31 Cb 1.35 0.00 -0.12 0.00 -1.58 0.00 0.00 32.23 31.89 1s1i h LYS 31 CO 0.62 0.29 -0.42 1.51 -1.08 0.00 0.00 179.45 180.36 1s1i n ILE 32 N -3.35 0.00 -1.60 1.86 0.13 -1.26 -4.11 119.36 111.04 1s1i n ILE 32 Ca 0.01 -2.24 -0.38 0.00 -1.10 0.00 0.00 62.75 59.03 1s1i n ILE 32 Cb 0.51 1.13 0.05 0.00 -0.84 0.00 0.00 39.64 40.48 1s1i n ILE 32 CO 0.00 0.00 0.00 1.33 2.80 0.00 0.00 176.55 180.68 1s1i n VAL 33 N -0.59 3.37 -4.57 9.51 0.24 -1.24 -4.70 118.33 120.36 1s1i n VAL 33 Ca 0.07 -0.50 -0.31 0.00 -2.04 0.00 0.00 64.34 61.56 1s1i n VAL 33 Cb 0.56 -1.11 -0.12 0.00 -1.47 0.00 0.00 33.84 31.71 1s1i n VAL 33 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1s1i s VAL 34 N -1.50 3.23 0.35 3.34 0.11 -0.83 -0.45 120.40 124.65 1s1i s VAL 34 Ca 0.73 -0.96 0.05 0.00 -2.93 0.00 0.00 61.98 58.87 1s1i s VAL 34 Cb -0.44 -2.38 -0.07 0.00 -1.53 0.00 0.00 36.38 31.96 1s1i s VAL 34 CO 0.49 0.37 0.03 -0.69 -3.33 0.00 0.00 175.10 171.98 1s1i s VAL 35 N -0.96 1.53 -0.31 2.04 1.01 0.13 -0.84 120.40 123.01 1s1i s VAL 35 Ca 0.16 -2.01 0.00 0.00 0.00 0.00 0.00 61.98 60.13 1s1i s VAL 35 Cb -0.11 -2.85 0.00 0.00 0.00 0.00 0.00 36.38 33.42 1s1i s VAL 35 CO 0.06 -0.02 0.00 -1.14 0.00 0.00 0.00 175.10 174.00 1s1i n ARG 36 N -0.79 -0.43 -1.88 2.72 0.63 -1.21 -1.80 116.66 113.90 1s1i n ARG 36 Ca -0.03 0.43 -0.41 0.00 -0.92 0.00 0.00 57.85 56.91 1s1i n ARG 36 Cb 0.66 -4.00 -0.01 0.00 0.45 0.00 0.00 32.46 29.56 1s1i n ARG 36 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1s1i s ALA 37 N -1.99 3.63 0.00 5.13 0.00 -1.10 -1.83 121.76 125.60 1s1i s ALA 37 Ca 0.00 1.48 0.00 0.00 0.00 0.00 0.00 51.96 53.44 1s1i s ALA 37 Cb 0.00 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.53 1s1i s ALA 37 CO 0.00 -0.91 0.00 -1.91 0.00 0.00 0.00 175.76 172.94 1s1i n GLU 38 N 1.46 0.00 -1.51 0.00 0.00 -1.26 -2.98 120.64 116.34 1s1i n GLU 38 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 57.16 56.96 1s1i n GLU 38 Cb 0.39 0.00 -0.18 0.00 0.00 0.00 0.00 31.44 31.65 1s1i n GLU 38 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1s1i n GLU 39 N 0.00 0.13 -3.68 5.31 1.02 -0.76 -4.16 120.64 118.50 1s1i n GLU 39 Ca 0.00 -0.13 -0.12 0.00 -0.02 0.00 0.00 57.16 56.89 1s1i n GLU 39 Cb 0.00 -1.60 -0.12 0.00 -0.02 0.00 0.00 31.44 29.70 1s1i n GLU 39 CO 0.00 0.00 0.00 -0.48 1.18 0.00 0.00 177.13 177.83 1s1i s LEU 40 N 4.38 -0.17 0.10 -4.62 2.34 -1.18 -2.50 118.68 117.04 1s1i s LEU 40 Ca 1.25 0.68 0.10 0.00 0.06 0.00 0.00 54.13 56.22 1s1i s LEU 40 Cb -0.79 0.90 -0.04 0.00 -0.56 0.00 0.00 46.19 45.70 1s1i s LEU 40 CO 0.47 -0.22 -0.23 0.21 -1.06 0.00 0.00 176.35 175.53 1s1i s ASN 41 N 2.06 3.56 0.02 1.48 2.47 0.18 -3.65 114.94 121.07 1s1i s ASN 41 Ca -0.03 -0.62 0.08 0.00 0.42 0.00 0.00 52.86 52.71 1s1i s ASN 41 Cb -0.11 -0.39 -0.03 0.00 -1.45 0.00 0.00 41.25 39.27 1s1i s ASN 41 CO -0.10 0.20 -0.25 0.27 -3.72 0.00 0.00 177.10 173.50 1s1i s ILE 42 N -1.04 2.24 0.62 -5.21 -0.00 -1.26 -2.19 121.20 114.35 1s1i s ILE 42 Ca 0.15 -1.27 -0.08 0.00 -0.00 0.00 0.00 60.65 59.46 1s1i s ILE 42 Cb -0.10 -1.85 0.00 0.00 -0.00 0.00 0.00 42.46 40.51 1s1i s ILE 42 CO 0.07 0.43 0.95 -0.94 -0.00 0.00 0.00 174.94 175.45 1s1i s SER 43 N -1.08 5.64 0.00 4.36 1.04 -1.26 -4.04 113.70 118.36 1s1i s SER 43 Ca 0.12 0.89 0.00 0.00 0.48 0.00 0.00 55.95 57.43 1s1i s SER 43 Cb -0.10 -1.85 0.00 0.00 0.10 0.00 0.00 66.02 64.17 1s1i s SER 43 CO 0.02 -1.09 0.00 0.61 0.98 0.00 0.00 173.24 173.75 1s1i n GLY 44 N -2.69 -2.10 0.00 7.32 0.00 -1.25 -5.01 105.19 101.47 1s1i n GLY 44 Ca 0.05 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.98 1s1i n GLY 44 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1s1i n GLU 45 N 0.24 0.00 -2.25 1.61 0.28 -1.25 -4.79 120.64 114.47 1s1i n GLU 45 Ca 0.00 0.00 -0.21 0.00 -0.16 0.00 0.00 57.16 56.79 1s1i n GLU 45 Cb 0.00 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 32.85 1s1i n GLU 45 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1s1i n PHE 46 N 0.00 -0.83 0.00 -1.84 3.72 -1.26 -4.60 117.46 112.65 1s1i n PHE 46 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1s1i n PHE 46 Cb 0.00 -3.87 0.00 0.00 -0.94 0.00 0.00 39.48 34.67 1s1i n PHE 46 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1s1i n PHE 47 N -3.70 0.00 -1.03 1.38 3.01 -1.26 -4.84 117.46 111.01 1s1i n PHE 47 Ca -0.24 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 57.92 1s1i n PHE 47 Cb 0.69 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.12 1s1i n PHE 47 CO 0.00 0.00 0.00 2.89 1.01 0.00 0.00 176.76 180.66 1s1i n ARG 48 N 0.00 2.87 0.00 -1.08 -4.01 -1.26 -0.06 116.66 113.12 1s1i n ARG 48 Ca 0.00 -1.78 0.00 0.00 -1.04 0.00 0.00 57.85 55.03 1s1i n ARG 48 Cb 0.00 -2.58 0.00 0.00 -3.04 0.00 0.00 32.46 26.84 1s1i n ARG 48 CO 0.00 0.00 0.00 -1.71 -3.04 0.00 0.00 177.63 172.88 1s1i n ASN 49 N 3.75 0.00 -0.03 2.89 5.15 -1.26 -4.81 115.26 120.96 1s1i n ASN 49 Ca 0.61 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 54.48 1s1i n ASN 49 Cb 0.23 0.21 -0.06 0.00 -0.53 0.00 0.00 39.78 39.63 1s1i n ASN 49 CO 0.00 0.00 0.00 0.50 1.40 0.00 0.00 177.26 179.16 1s1i h LYS 50 N 0.00 0.18 -7.14 1.20 3.64 -0.80 -3.36 116.57 110.29 1s1i h LYS 50 Ca 0.00 -0.03 -0.47 0.00 -1.27 0.00 0.00 60.65 58.88 1s1i h LYS 50 Cb 0.00 -0.03 0.06 0.00 -0.41 0.00 0.00 32.23 31.85 1s1i h LYS 50 CO 0.00 0.27 0.17 -0.51 -2.27 0.00 0.00 179.45 177.11 1s1i s LEU 51 N -9.88 3.11 -1.72 5.20 1.02 -0.38 -3.57 118.68 112.47 1s1i s LEU 51 Ca -0.14 0.56 0.00 0.00 0.02 0.00 0.00 54.13 54.57 1s1i s LEU 51 Cb 0.06 -3.33 0.00 0.00 0.02 0.00 0.00 46.19 42.94 1s1i s LEU 51 CO 0.69 -1.24 0.00 2.29 0.02 0.00 0.00 176.35 178.11 1s1i n LYS 52 N -2.66 -1.72 0.00 1.70 2.85 -1.26 -4.67 118.16 112.39 1s1i n LYS 52 Ca 0.06 0.97 0.00 0.00 -1.05 0.00 0.00 58.31 58.29 1s1i n LYS 52 Cb 0.59 -5.57 0.00 0.00 -0.65 0.00 0.00 35.03 29.40 1s1i n LYS 52 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1s1i n TYR 53 N -3.58 0.00 -2.02 5.58 4.02 -1.25 -4.92 117.16 114.98 1s1i n TYR 53 Ca -0.22 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.70 1s1i n TYR 53 Cb 0.67 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 40.04 1s1i n TYR 53 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 1s1i n HIS 54 N 0.00 0.00 -1.36 -0.72 8.25 -1.26 -4.34 115.22 115.80 1s1i n HIS 54 Ca 0.00 -0.51 -0.29 0.00 -0.26 0.00 0.00 57.72 56.66 1s1i n HIS 54 Cb 0.00 -0.13 0.18 0.00 1.12 0.00 0.00 29.99 31.16 1s1i n HIS 54 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1s1i s ASP 55 N -1.90 2.62 -0.02 0.41 1.11 -1.23 -4.45 116.67 113.20 1s1i s ASP 55 Ca 0.22 0.90 0.06 0.00 0.18 0.00 0.00 52.55 53.90 1s1i s ASP 55 Cb 0.23 -1.39 0.21 0.00 1.07 0.00 0.00 42.92 43.04 1s1i s ASP 55 CO -0.07 -3.10 1.08 0.49 1.18 0.00 0.00 175.17 174.75 1s1i n PHE 56 N -4.12 0.39 0.00 4.23 3.72 -1.26 -1.52 117.46 118.90 1s1i n PHE 56 Ca 0.08 -0.17 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 1s1i n PHE 56 Cb 0.59 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 39.07 1s1i n PHE 56 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 1s1i n LEU 57 N 0.16 0.00 -0.05 4.37 7.94 -1.26 -4.43 117.00 123.73 1s1i n LEU 57 Ca 0.08 0.00 -0.03 0.00 -1.11 0.00 0.00 56.01 54.95 1s1i n LEU 57 Cb 0.28 0.00 0.21 0.00 0.53 0.00 0.00 43.42 44.44 1s1i n LEU 57 CO 0.06 0.00 0.85 -0.09 -1.11 0.00 0.00 177.39 177.10 1s1i h ARG 58 N 0.00 0.64 -0.10 1.96 1.12 -1.42 -3.46 114.38 113.12 1s1i h ARG 58 Ca 0.00 -0.18 -0.04 0.00 -1.11 0.00 0.00 59.98 58.65 1s1i h ARG 58 Cb 0.02 -0.07 -0.02 0.00 -0.01 0.00 0.00 29.97 29.89 1s1i h ARG 58 CO 0.00 0.71 -0.04 1.17 -3.11 0.00 0.00 179.97 178.70 1s1i n LYS 59 N -4.20 -0.57 -0.03 0.20 0.00 -0.74 -4.44 118.16 108.38 1s1i n LYS 59 Ca 0.01 0.34 -0.12 0.00 0.00 0.00 0.00 58.31 58.54 1s1i n LYS 59 Cb 0.32 -3.91 -0.07 0.00 0.00 0.00 0.00 35.03 31.37 1s1i n LYS 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1s1i h ALA 60 N 0.00 0.14 -2.33 3.14 0.00 -1.76 -3.23 119.26 115.23 1s1i h ALA 60 Ca -0.04 -0.20 -0.50 0.00 0.00 0.00 0.00 54.91 54.16 1s1i h ALA 60 Cb 0.35 -0.04 0.06 0.00 0.00 0.00 0.00 17.79 18.16 1s1i h ALA 60 CO 0.06 -0.15 0.40 0.99 0.00 0.00 0.00 179.25 180.55 1s1i s THR 61 N -4.84 4.50 -0.89 0.00 2.01 -1.26 -2.57 115.64 112.59 1s1i s THR 61 Ca -0.14 0.89 0.00 0.00 0.31 0.00 0.00 61.69 62.74 1s1i s THR 61 Cb 0.05 -3.73 0.00 0.00 0.01 0.00 0.00 72.50 68.83 1s1i s THR 61 CO 0.70 -0.99 0.00 0.00 -0.69 0.00 0.00 174.62 173.65 1s1i n ALA 62 N -2.61 -0.13 0.08 7.40 0.00 -1.26 -4.85 120.51 119.13 1s1i n ALA 62 Ca 0.07 0.14 -0.13 0.00 0.00 0.00 0.00 53.44 53.51 1s1i n ALA 62 Cb 0.54 -1.45 -0.08 0.00 0.00 0.00 0.00 19.45 18.45 1s1i n ALA 62 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1s1i h PHE 63 N 0.00 -0.19 -0.53 0.00 3.57 -1.51 -3.49 116.94 114.79 1s1i h PHE 63 Ca -0.17 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.32 1s1i h PHE 63 Cb 0.93 0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.73 1s1i h PHE 63 CO 0.47 0.14 0.00 -1.71 -2.23 0.00 0.00 178.31 174.99 1s1i n ASN 64 N -5.03 0.00 0.00 0.41 5.15 -1.26 -5.09 115.26 109.44 1s1i n ASN 64 Ca -0.09 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.89 1s1i n ASN 64 Cb 0.22 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.47 1s1i n ASN 64 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1s1i n LYS 65 N 0.00 0.00 -1.06 1.20 4.76 -1.26 -4.91 118.16 116.90 1s1i n LYS 65 Ca 0.00 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.14 1s1i n LYS 65 Cb 0.00 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.16 1s1i n LYS 65 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1s1i n THR 66 N 0.00 3.47 0.00 -0.18 -2.24 -1.26 -1.96 114.28 112.11 1s1i n THR 66 Ca 0.00 -2.05 0.00 0.00 -2.27 0.00 0.00 64.05 59.73 1s1i n THR 66 Cb 0.00 -2.38 0.00 0.00 -2.10 0.00 0.00 70.33 65.85 1s1i n THR 66 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1s1i n ARG 67 N 3.73 0.00 0.00 -0.78 0.63 -1.26 -5.14 116.66 113.84 1s1i n ARG 67 Ca 0.62 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.55 1s1i n ARG 67 Cb 0.23 -0.10 0.00 0.00 0.45 0.00 0.00 32.46 33.05 1s1i n ARG 67 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1s1i n GLY 68 N -0.47 -0.22 3.93 5.14 0.00 -0.83 -4.95 105.19 107.80 1s1i n GLY 68 Ca 0.00 -1.02 -0.25 0.00 0.00 0.00 0.00 46.02 44.75 1s1i n GLY 68 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1s1i s PRO 69 N 0.00 2.77 0.21 1.61 0.02 -1.26 -4.77 135.00 133.58 1s1i s PRO 69 Ca 0.00 -0.25 0.07 0.00 0.02 0.00 0.00 61.00 60.84 1s1i s PRO 69 Cb 0.00 -2.34 -0.04 0.00 0.02 0.00 0.00 34.50 32.14 1s1i s PRO 69 CO 0.00 -0.71 0.07 -0.59 -0.33 0.00 0.00 177.00 175.43 1s1i s PHE 70 N -2.92 2.92 0.00 6.54 -0.12 -1.26 -4.85 117.98 118.29 1s1i s PHE 70 Ca 0.54 -0.13 0.00 0.00 -0.05 0.00 0.00 56.93 57.29 1s1i s PHE 70 Cb -0.10 -1.36 0.00 0.00 -0.63 0.00 0.00 43.02 40.93 1s1i s PHE 70 CO 0.43 0.54 0.00 0.72 -0.05 0.00 0.00 175.22 176.86 1s1i n HIS 71 N -0.59 0.00 -4.45 3.49 8.25 -1.26 -5.14 115.22 115.52 1s1i n HIS 71 Ca -0.08 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.16 1s1i n HIS 71 Cb 0.57 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.57 1s1i n HIS 71 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1s1i s PHE 72 N 2.07 2.01 0.00 4.41 0.08 -1.26 -5.04 117.98 120.25 1s1i s PHE 72 Ca 0.00 -0.78 0.00 0.00 0.12 0.00 0.00 56.93 56.27 1s1i s PHE 72 Cb 0.00 -1.24 0.00 0.00 -0.57 0.00 0.00 43.02 41.21 1s1i s PHE 72 CO 0.00 0.21 0.00 2.89 -0.10 0.00 0.00 175.22 178.22 1s1i n ARG 73 N -0.65 3.03 -3.62 0.44 1.85 -1.26 -4.71 116.66 111.73 1s1i n ARG 73 Ca -0.04 0.00 -0.31 0.00 -1.00 0.00 0.00 57.85 56.49 1s1i n ARG 73 Cb 0.65 -0.91 -0.05 0.00 -1.05 0.00 0.00 32.46 31.10 1s1i n ARG 73 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1s1i s ALA 74 N -1.81 3.75 0.58 2.89 0.00 -1.26 -4.44 121.76 121.47 1s1i s ALA 74 Ca 0.00 -0.52 0.27 0.00 0.00 0.00 0.00 51.96 51.72 1s1i s ALA 74 Cb 0.00 -2.18 1.61 0.00 0.00 0.00 0.00 23.12 22.55 1s1i s ALA 74 CO 0.00 0.64 2.11 -1.35 0.00 0.00 0.00 175.76 177.16 1s1i h PRO 75 N 2.75 0.00 0.30 0.00 0.11 -1.89 0.43 132.00 133.69 1s1i h PRO 75 Ca -0.46 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 1s1i h PRO 75 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1s1i h PRO 75 CO 0.72 0.00 -0.15 0.66 -0.21 0.00 0.00 178.00 179.02 1s1i h SER 76 N 0.00 -0.34 -0.31 -2.05 4.64 -1.91 -3.12 113.55 110.46 1s1i h SER 76 Ca 0.08 -0.19 -0.11 0.00 -0.47 0.00 0.00 61.79 61.10 1s1i h SER 76 Cb 0.44 0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.60 1s1i h SER 76 CO -0.00 0.05 -0.20 0.03 -0.87 0.00 0.00 176.83 175.85 1s1i h ARG 77 N -0.80 0.78 -0.85 4.77 3.08 -1.38 -0.09 114.38 119.90 1s1i h ARG 77 Ca -0.04 -0.30 0.02 0.00 0.07 0.00 0.00 59.98 59.72 1s1i h ARG 77 Cb 0.51 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.48 1s1i h ARG 77 CO 0.07 0.92 0.56 0.82 -1.07 0.00 0.00 179.97 181.26 1s1i h ILE 78 N 0.69 1.19 -0.25 2.04 5.03 -0.33 0.52 117.51 126.40 1s1i h ILE 78 Ca 0.10 -0.38 0.00 0.00 -0.12 0.00 0.00 64.86 64.46 1s1i h ILE 78 Cb 0.70 -0.02 0.00 0.00 -3.03 0.00 0.00 36.82 34.47 1s1i h ILE 78 CO 0.05 0.20 0.00 2.22 -0.68 0.00 0.00 178.15 179.95 1s1i n PHE 79 N -4.42 0.58 0.05 1.37 -1.74 -1.13 -3.62 117.46 108.55 1s1i n PHE 79 Ca 0.10 -0.70 -0.21 0.00 -0.56 0.00 0.00 57.45 56.08 1s1i n PHE 79 Cb 0.05 -0.16 -0.11 0.00 1.52 0.00 0.00 39.48 40.78 1s1i n PHE 79 CO 0.00 0.00 0.00 -0.92 -0.56 0.00 0.00 176.76 175.28 1s1i h TYR 80 N 1.57 1.05 -0.69 2.97 3.20 0.11 -3.22 116.97 121.96 1s1i h TYR 80 Ca 0.00 -0.58 -0.02 0.00 3.14 0.00 0.00 58.73 61.26 1s1i h TYR 80 Cb 1.03 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 39.16 1s1i h TYR 80 CO 0.30 1.42 0.33 1.57 -1.64 0.00 0.00 178.16 180.15 1s1i h LYS 81 N 0.38 0.98 -1.00 1.82 5.09 -0.20 0.17 116.57 123.80 1s1i h LYS 81 Ca -0.14 -0.13 0.01 0.00 0.09 0.00 0.00 60.65 60.48 1s1i h LYS 81 Cb 1.73 -0.18 -0.05 0.00 0.10 0.00 0.00 32.23 33.83 1s1i h LYS 81 CO 0.21 0.75 0.66 0.00 -2.09 0.00 0.00 179.45 178.98 1s1i h ALA 82 N 1.39 1.27 -0.67 0.07 0.00 -1.62 -0.71 119.26 118.99 1s1i h ALA 82 Ca 0.24 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1s1i h ALA 82 Cb 0.10 -0.41 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 1s1i h ALA 82 CO -0.03 0.67 0.29 -0.07 0.00 0.00 0.00 179.25 180.11 1s1i h LEU 83 N 1.36 0.87 -0.50 0.00 3.38 -0.73 -1.70 115.31 118.00 1s1i h LEU 83 Ca 0.37 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 58.16 1s1i h LEU 83 Cb -0.15 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.36 1s1i h LEU 83 CO -0.08 0.76 0.03 0.03 0.09 0.00 0.00 178.44 179.27 1s1i h ARG 84 N 0.95 0.87 -7.23 1.13 2.47 -0.09 -3.34 114.38 109.14 1s1i h ARG 84 Ca 0.23 -0.26 -0.53 0.00 -1.26 0.00 0.00 59.98 58.16 1s1i h ARG 84 Cb 0.14 -0.09 0.17 0.00 -1.65 0.00 0.00 29.97 28.54 1s1i h ARG 84 CO -0.03 0.89 0.32 0.20 0.56 0.00 0.00 179.97 181.91 1s1i s GLY 85 N -3.39 2.02 -1.64 0.04 0.00 -0.62 -0.09 107.32 103.64 1s1i s GLY 85 Ca -0.12 0.70 0.00 0.00 0.00 0.00 0.00 44.72 45.30 1s1i s GLY 85 CO 0.82 1.11 0.00 1.03 0.00 0.00 0.00 173.10 176.05 1s1i n MET 86 N -3.38 -1.31 -3.73 2.90 2.81 -1.26 -4.83 117.12 108.32 1s1i n MET 86 Ca 0.12 0.96 -0.14 0.00 -1.81 0.00 0.00 57.70 56.83 1s1i n MET 86 Cb 0.51 -5.33 -0.09 0.00 -0.71 0.00 0.00 33.22 27.61 1s1i n MET 86 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1s1i s VAL 87 N -2.77 0.04 -1.19 2.03 -7.23 0.87 -4.85 120.40 107.30 1s1i s VAL 87 Ca 0.00 -0.30 -0.15 0.00 -1.81 0.00 0.00 61.98 59.72 1s1i s VAL 87 Cb 0.00 -0.64 0.15 0.00 0.56 0.00 0.00 36.38 36.46 1s1i s VAL 87 CO 0.00 -0.16 1.45 -0.94 -0.31 0.00 0.00 175.10 175.13 1s1i s SER 88 N -0.90 7.00 0.28 4.85 1.04 -1.26 -4.75 113.70 119.95 1s1i s SER 88 Ca -0.10 -2.82 -0.01 0.00 0.48 0.00 0.00 55.95 53.51 1s1i s SER 88 Cb -0.04 -2.43 0.41 0.00 0.10 0.00 0.00 66.02 64.06 1s1i s SER 88 CO 0.04 -0.84 1.82 1.12 0.98 0.00 0.00 173.24 176.36 1s1i h HIS 89 N 7.39 0.81 0.22 5.02 -0.00 -1.81 -3.21 115.15 123.57 1s1i h HIS 89 Ca 0.32 -0.08 0.00 0.00 -0.00 0.00 0.00 60.37 60.61 1s1i h HIS 89 Cb 0.89 -0.23 -0.02 0.00 -0.00 0.00 0.00 27.41 28.05 1s1i h HIS 89 CO 1.15 0.71 -0.21 1.57 -0.00 0.00 0.00 177.93 181.15 1s1i h LYS 90 N 0.74 -0.44 -3.57 5.12 -0.00 -1.90 -1.23 116.57 115.29 1s1i h LYS 90 Ca 0.16 0.03 -0.11 0.00 -0.00 0.00 0.00 60.65 60.73 1s1i h LYS 90 Cb 0.34 0.10 -0.17 0.00 -0.00 0.00 0.00 32.23 32.50 1s1i h LYS 90 CO 0.00 -0.29 -0.39 0.99 -0.00 0.00 0.00 179.45 179.76 1s1i s THR 91 N -6.10 0.11 0.00 0.07 2.01 -1.21 -4.49 115.64 106.03 1s1i s THR 91 Ca -0.15 -0.91 0.00 0.00 0.31 0.00 0.00 61.69 60.94 1s1i s THR 91 Cb 0.07 -0.94 0.00 0.00 0.01 0.00 0.00 72.50 71.63 1s1i s THR 91 CO 0.65 -0.50 0.00 0.00 -0.69 0.00 0.00 174.62 174.08 1s1i n ALA 92 N 0.63 0.00 -1.88 7.40 0.00 -1.26 -4.01 120.51 121.38 1s1i n ALA 92 Ca -0.19 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 52.87 1s1i n ALA 92 Cb 0.59 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.01 1s1i n ALA 92 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1s1i s ARG 93 N 0.00 2.62 0.00 0.00 3.00 -1.26 -2.12 118.95 121.19 1s1i s ARG 93 Ca 0.00 1.03 0.00 0.00 -1.00 0.00 0.00 55.73 55.76 1s1i s ARG 93 Cb 0.00 -4.41 0.00 0.00 0.00 0.00 0.00 34.95 30.54 1s1i s ARG 93 CO 0.00 -2.71 0.00 0.41 0.00 0.00 0.00 175.30 173.00 1s1i n GLY 94 N 5.74 -2.45 3.43 8.12 0.00 -1.25 -4.82 105.19 113.95 1s1i n GLY 94 Ca 0.26 0.81 -0.44 0.00 0.00 0.00 0.00 46.02 46.65 1s1i n GLY 94 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s1i s LYS 95 N -0.11 3.26 0.00 1.61 0.00 -0.47 -3.74 119.74 120.30 1s1i s LYS 95 Ca 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 55.97 54.72 1s1i s LYS 95 Cb 0.00 -4.46 0.00 0.00 0.00 0.00 0.00 37.83 33.37 1s1i s LYS 95 CO 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 175.35 173.61 1s1i n ALA 96 N 7.01 0.00 -1.62 0.59 0.00 -1.25 -4.46 120.51 120.77 1s1i n ALA 96 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.09 1s1i n ALA 96 Cb 0.46 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.88 1s1i n ALA 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s1i s ALA 97 N -1.00 2.11 0.00 0.00 0.00 -1.26 -0.07 121.76 121.55 1s1i s ALA 97 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.24 1s1i s ALA 97 Cb 0.00 -4.23 0.00 0.00 0.00 0.00 0.00 23.12 18.89 1s1i s ALA 97 CO 0.00 -3.75 0.00 -0.11 0.00 0.00 0.00 175.76 171.90 1s1i n LEU 98 N 13.98 0.00 -0.25 0.00 7.94 -1.24 -4.15 117.00 133.27 1s1i n LEU 98 Ca 0.33 0.00 -0.06 0.00 -1.11 0.00 0.00 56.01 55.17 1s1i n LEU 98 Cb 0.51 0.00 0.09 0.00 0.53 0.00 0.00 43.42 44.54 1s1i n LEU 98 CO 0.69 0.00 1.01 -0.33 -1.11 0.00 0.00 177.39 177.65 1s1i h GLU 99 N 0.00 1.12 -1.73 1.96 3.07 -0.74 -2.45 114.58 115.81 1s1i h GLU 99 Ca 0.00 -0.22 0.00 0.00 -0.50 0.00 0.00 59.36 58.64 1s1i h GLU 99 Cb 0.00 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 27.74 1s1i h GLU 99 CO 0.00 0.94 0.00 0.54 -1.40 0.00 0.00 179.01 179.09 1s1i n ARG 100 N -4.26 0.92 -3.78 2.33 1.74 -0.29 -4.58 116.66 108.73 1s1i n ARG 100 Ca 0.06 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.01 1s1i n ARG 100 Cb 0.21 -1.04 -0.11 0.00 -1.02 0.00 0.00 32.46 30.50 1s1i n ARG 100 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 1s1i s LEU 101 N 0.00 1.00 0.07 0.55 -0.00 -0.92 -4.00 118.68 115.38 1s1i s LEU 101 Ca 0.00 0.50 0.03 0.00 -0.00 0.00 0.00 54.13 54.66 1s1i s LEU 101 Cb 0.00 0.91 -0.03 0.00 -0.00 0.00 0.00 46.19 47.07 1s1i s LEU 101 CO 0.00 -0.11 -0.10 -0.54 -0.00 0.00 0.00 176.35 175.61 1s1i s LYS 102 N 0.06 0.73 -0.02 1.48 -0.14 -1.26 -4.90 119.74 115.69 1s1i s LYS 102 Ca -0.01 -1.01 0.06 0.00 -1.36 0.00 0.00 55.97 53.65 1s1i s LYS 102 Cb -0.02 -0.46 -0.03 0.00 -1.68 0.00 0.00 37.83 35.64 1s1i s LYS 102 CO 0.01 0.08 -0.18 0.14 -0.76 0.00 0.00 175.35 174.63 1s1i s VAL 103 N -2.01 2.73 0.05 3.17 -7.23 -1.26 -1.97 120.40 113.88 1s1i s VAL 103 Ca -0.00 -0.94 0.08 0.00 -1.81 0.00 0.00 61.98 59.31 1s1i s VAL 103 Cb -0.06 -2.06 -0.03 0.00 0.56 0.00 0.00 36.38 34.79 1s1i s VAL 103 CO 0.00 0.53 -0.20 -0.36 -0.31 0.00 0.00 175.10 174.76 1s1i s PHE 104 N -0.75 2.50 0.64 2.82 0.40 -0.02 -4.92 117.98 118.65 1s1i s PHE 104 Ca 0.12 -0.29 -0.15 0.00 -0.60 0.00 0.00 56.93 56.00 1s1i s PHE 104 Cb -0.10 -1.43 -0.01 0.00 0.51 0.00 0.00 43.02 41.98 1s1i s PHE 104 CO 0.01 0.24 1.10 -1.21 0.70 0.00 0.00 175.22 176.06 1s1i s GLU 105 N -1.48 2.95 0.00 0.44 2.02 -1.26 -2.69 118.70 118.68 1s1i s GLU 105 Ca 0.14 1.36 0.00 0.00 0.02 0.00 0.00 54.97 56.50 1s1i s GLU 105 Cb -0.10 -1.97 0.00 0.00 0.10 0.00 0.00 34.13 32.15 1s1i s GLU 105 CO 0.05 -1.13 0.00 0.41 0.02 0.00 0.00 175.26 174.61 1s1i n GLY 106 N -0.58 1.39 0.00 -1.39 0.00 -1.16 -4.64 105.19 98.81 1s1i n GLY 106 Ca 0.10 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1s1i n GLY 106 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1s1i n ILE 107 N -0.30 0.00 -1.97 -0.61 -5.35 -1.26 -4.45 119.36 105.41 1s1i n ILE 107 Ca 0.00 0.00 -0.37 0.00 -0.27 0.00 0.00 62.75 62.11 1s1i n ILE 107 Cb 0.00 0.00 0.03 0.00 -1.74 0.00 0.00 39.64 37.93 1s1i n ILE 107 CO 0.00 0.00 0.00 -2.84 -1.76 0.00 0.00 176.55 171.95 1s1i s PRO 108 N 2.79 3.14 0.30 6.28 0.02 -1.26 -4.58 135.00 141.69 1s1i s PRO 108 Ca 0.00 1.96 -0.28 0.00 0.02 0.00 0.00 61.00 62.70 1s1i s PRO 108 Cb 0.00 -2.11 -0.13 0.00 0.02 0.00 0.00 34.50 32.28 1s1i s PRO 108 CO 0.00 -1.11 1.14 -2.30 -0.33 0.00 0.00 177.00 174.40 1s1i n PRO 109 N -1.24 1.67 0.25 5.54 -0.02 -1.26 -4.85 135.00 135.10 1s1i n PRO 109 Ca 0.12 0.59 0.17 0.00 -2.02 0.00 0.00 63.50 62.35 1s1i n PRO 109 Cb 0.48 -2.05 0.71 0.00 -0.02 0.00 0.00 33.50 32.61 1s1i n PRO 109 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1s1i h PRO 110 N 2.33 0.00 -5.91 0.52 0.11 -1.87 -3.43 132.00 123.76 1s1i h PRO 110 Ca -0.42 0.00 -0.68 0.00 0.11 0.00 0.00 66.00 65.01 1s1i h PRO 110 Cb 1.32 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.29 1s1i h PRO 110 CO 0.62 0.00 -0.59 0.71 -0.21 0.00 0.00 178.00 178.53 1s1i s TYR 111 N -3.65 3.25 -0.46 0.65 1.51 -1.26 -5.00 117.35 112.39 1s1i s TYR 111 Ca 0.01 0.26 -0.27 0.00 -1.01 0.00 0.00 57.07 56.06 1s1i s TYR 111 Cb 0.09 -1.82 -0.02 0.00 -0.11 0.00 0.00 41.96 40.10 1s1i s TYR 111 CO 0.48 0.53 1.85 -0.51 -1.11 0.00 0.00 175.55 176.79 1s1i s ASP 112 N -0.93 5.55 0.00 2.29 1.01 -1.26 -4.63 116.67 118.70 1s1i s ASP 112 Ca 0.14 0.86 0.00 0.00 0.71 0.00 0.00 52.55 54.26 1s1i s ASP 112 Cb -0.11 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.29 1s1i s ASP 112 CO 0.03 -2.06 0.00 1.17 0.21 0.00 0.00 175.17 174.52 1s1i n LYS 113 N 8.78 0.00 -2.86 8.23 4.81 -1.26 -5.10 118.16 130.75 1s1i n LYS 113 Ca 0.22 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 57.27 1s1i n LYS 113 Cb 0.50 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.49 1s1i n LYS 113 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1s1i s LYS 114 N -4.90 4.69 0.15 1.64 -0.14 -1.26 -4.97 119.74 114.96 1s1i s LYS 114 Ca 0.00 1.31 0.04 0.00 -1.36 0.00 0.00 55.97 55.96 1s1i s LYS 114 Cb 0.00 -3.29 -0.04 0.00 -1.68 0.00 0.00 37.83 32.83 1s1i s LYS 114 CO 0.00 0.50 0.21 0.15 -0.76 0.00 0.00 175.35 175.44 1s1i s LYS 115 N -0.98 3.17 0.56 1.68 3.01 -1.26 -5.01 119.74 120.91 1s1i s LYS 115 Ca 0.39 -0.72 -0.19 0.00 -1.01 0.00 0.00 55.97 54.44 1s1i s LYS 115 Cb -0.24 -2.81 -0.05 0.00 -1.01 0.00 0.00 37.83 33.72 1s1i s LYS 115 CO 0.29 0.51 1.13 1.03 0.51 0.00 0.00 175.35 178.82 1s1i s ARG 116 N -3.11 3.24 0.93 1.68 1.81 -1.17 -3.12 118.95 119.20 1s1i s ARG 116 Ca 0.33 1.60 -0.14 0.00 -1.72 0.00 0.00 55.73 55.80 1s1i s ARG 116 Cb -0.11 -1.99 0.15 0.00 -0.45 0.00 0.00 34.95 32.56 1s1i s ARG 116 CO 0.26 -0.94 1.20 0.54 -0.68 0.00 0.00 175.30 175.68 1s1i s VAL 117 N -1.84 1.96 0.47 3.52 0.11 -1.26 -1.55 120.40 121.81 1s1i s VAL 117 Ca 0.72 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.80 1s1i s VAL 117 Cb -0.24 -2.86 0.03 0.00 -1.53 0.00 0.00 36.38 31.78 1s1i s VAL 117 CO 0.30 0.00 0.26 0.55 -3.33 0.00 0.00 175.10 172.88 1s1i n VAL 118 N -3.74 0.00 -1.66 2.04 3.14 -1.26 -4.92 118.33 111.92 1s1i n VAL 118 Ca 0.10 -1.98 -0.44 0.00 -2.96 0.00 0.00 64.34 59.06 1s1i n VAL 118 Cb 0.60 0.06 -0.02 0.00 -1.06 0.00 0.00 33.84 33.42 1s1i n VAL 118 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 1s1i n VAL 119 N -1.49 1.67 -1.34 1.55 3.14 -1.26 -4.03 118.33 116.57 1s1i n VAL 119 Ca -0.07 -0.42 -0.28 0.00 -2.96 0.00 0.00 64.34 60.61 1s1i n VAL 119 Cb 0.56 -1.39 -0.17 0.00 -1.06 0.00 0.00 33.84 31.78 1s1i n VAL 119 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 1s1i n PRO 120 N 1.03 0.00 -3.45 1.45 -0.02 -1.26 -4.81 135.00 127.94 1s1i n PRO 120 Ca 0.08 0.00 -0.27 0.00 -2.02 0.00 0.00 63.50 61.30 1s1i n PRO 120 Cb 0.33 -1.12 -0.09 0.00 -0.02 0.00 0.00 33.50 32.60 1s1i n PRO 120 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1s1i n GLN 121 N 6.29 1.83 -4.31 -0.52 -0.06 -1.26 -5.08 117.38 114.27 1s1i n GLN 121 Ca 0.60 -4.21 -0.23 0.00 -2.00 0.00 0.00 57.00 51.16 1s1i n GLN 121 Cb 0.07 -1.99 -0.12 0.00 -4.06 0.00 0.00 30.24 24.15 1s1i n GLN 121 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1s1i s ALA 122 N -1.82 1.91 0.07 1.69 0.00 -1.26 -3.69 121.76 118.66 1s1i s ALA 122 Ca 0.36 -1.37 -0.21 0.00 0.00 0.00 0.00 51.96 50.73 1s1i s ALA 122 Cb 0.11 -0.21 -0.12 0.00 0.00 0.00 0.00 23.12 22.90 1s1i s ALA 122 CO -0.08 0.30 1.57 1.37 0.00 0.00 0.00 175.76 178.92 1s1i h LEU 123 N 3.65 0.19 0.26 0.00 -0.00 -1.91 -3.45 115.31 114.05 1s1i h LEU 123 Ca -0.44 -0.22 -0.41 0.00 -0.00 0.00 0.00 57.88 56.81 1s1i h LEU 123 Cb 1.19 -0.05 0.04 0.00 -0.00 0.00 0.00 40.66 41.84 1s1i h LEU 123 CO 0.45 0.36 -0.64 -1.14 -0.00 0.00 0.00 178.44 177.48 1s1i n ARG 124 N -4.86 -5.43 -2.91 0.17 0.63 -1.26 -4.86 116.66 98.15 1s1i n ARG 124 Ca -0.05 0.78 -0.44 0.00 -0.92 0.00 0.00 57.85 57.22 1s1i n ARG 124 Cb 0.15 -5.67 -0.02 0.00 0.45 0.00 0.00 32.46 27.37 1s1i n ARG 124 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1s1i s VAL 125 N -3.19 4.79 -0.27 5.15 1.01 -1.26 -4.75 120.40 121.87 1s1i s VAL 125 Ca 0.43 -1.93 -0.09 0.00 0.00 0.00 0.00 61.98 60.39 1s1i s VAL 125 Cb -0.20 -4.85 0.12 0.00 0.00 0.00 0.00 36.38 31.45 1s1i s VAL 125 CO 0.53 -1.58 0.59 -1.48 0.00 0.00 0.00 175.10 173.16 1s1i s LEU 126 N 2.43 -1.00 -1.29 3.92 2.34 -1.26 -4.88 118.68 118.93 1s1i s LEU 126 Ca 0.37 1.41 -0.04 0.00 0.06 0.00 0.00 54.13 55.94 1s1i s LEU 126 Cb -0.04 2.04 -0.00 0.00 -0.56 0.00 0.00 46.19 47.63 1s1i s LEU 126 CO -0.06 -0.22 0.66 0.54 -1.06 0.00 0.00 176.35 176.21 1s1i n ARG 127 N 5.41 -3.83 -2.02 1.48 3.00 -1.26 -4.70 116.66 114.73 1s1i n ARG 127 Ca -0.11 0.56 -0.27 0.00 -0.01 0.00 0.00 57.85 58.02 1s1i n ARG 127 Cb 0.49 -4.90 -0.06 0.00 0.00 0.00 0.00 32.46 27.99 1s1i n ARG 127 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1s1i s LEU 128 N -6.64 3.02 0.04 0.55 2.01 -1.26 -4.62 118.68 111.79 1s1i s LEU 128 Ca 0.10 -1.39 -0.21 0.00 0.01 0.00 0.00 54.13 52.64 1s1i s LEU 128 Cb -0.03 -2.58 -0.14 0.00 0.01 0.00 0.00 46.19 43.45 1s1i s LEU 128 CO 0.83 -3.15 1.39 0.50 1.01 0.00 0.00 176.35 176.94 1s1i h LYS 129 N 10.22 0.31 0.00 1.70 3.11 -1.95 -2.88 116.57 127.09 1s1i h LYS 129 Ca 0.17 -0.14 -0.08 0.00 -2.81 0.00 0.00 60.65 57.79 1s1i h LYS 129 Cb 0.96 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 32.17 1s1i h LYS 129 CO 1.20 0.64 -0.38 -1.00 -2.81 0.00 0.00 179.45 177.11 1s1i h PRO 130 N -0.02 0.00 -7.34 1.90 0.13 -1.96 -3.44 132.00 121.26 1s1i h PRO 130 Ca 0.03 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.68 1s1i h PRO 130 Cb 0.55 0.00 0.07 0.00 0.13 0.00 0.00 31.00 31.75 1s1i h PRO 130 CO 0.02 0.38 0.32 0.20 -0.23 0.00 0.00 178.00 178.70 1s1i s GLY 131 N -4.36 1.62 0.08 1.56 0.00 -1.09 -5.08 107.32 100.05 1s1i s GLY 131 Ca 0.01 -0.48 -0.01 0.00 0.00 0.00 0.00 44.72 44.24 1s1i s GLY 131 CO 0.69 -0.14 0.12 0.54 0.00 0.00 0.00 173.10 174.31 1s1i n ARG 132 N -2.84 0.17 -2.14 2.90 1.74 -1.26 -4.73 116.66 110.50 1s1i n ARG 132 Ca 0.06 -0.63 -0.42 0.00 -0.77 0.00 0.00 57.85 56.09 1s1i n ARG 132 Cb 0.57 0.62 -0.03 0.00 -1.02 0.00 0.00 32.46 32.61 1s1i n ARG 132 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1s1i s LYS 133 N -2.17 4.21 -0.09 5.56 0.00 -1.26 -4.94 119.74 121.06 1s1i s LYS 133 Ca 0.06 2.03 -0.03 0.00 0.00 0.00 0.00 55.97 58.04 1s1i s LYS 133 Cb -0.00 -3.86 0.04 0.00 0.00 0.00 0.00 37.83 34.01 1s1i s LYS 133 CO 0.05 -0.77 0.09 0.71 0.00 0.00 0.00 175.35 175.43 1s1i s TYR 134 N 3.61 0.05 -0.13 1.78 2.02 -1.26 -3.87 117.35 119.55 1s1i s TYR 134 Ca 0.67 0.15 -0.04 0.00 -0.37 0.00 0.00 57.07 57.49 1s1i s TYR 134 Cb -0.30 -0.50 0.07 0.00 -0.40 0.00 0.00 41.96 40.82 1s1i s TYR 134 CO 0.26 -0.31 0.21 0.95 -1.57 0.00 0.00 175.55 175.09 1s1i s THR 135 N 2.19 -0.33 0.15 -0.71 -4.23 -1.26 -4.89 115.64 106.56 1s1i s THR 135 Ca 0.04 0.20 -0.24 0.00 -1.18 0.00 0.00 61.69 60.51 1s1i s THR 135 Cb -0.13 -0.45 0.07 0.00 1.34 0.00 0.00 72.50 73.32 1s1i s THR 135 CO -0.05 0.04 0.67 0.42 -0.54 0.00 0.00 174.62 175.15 1s1i s THR 136 N 2.34 0.00 0.00 3.99 -4.23 -1.26 -4.69 115.64 111.79 1s1i s THR 136 Ca 0.03 -0.16 0.00 0.00 -1.18 0.00 0.00 61.69 60.39 1s1i s THR 136 Cb -0.13 -1.17 0.00 0.00 1.34 0.00 0.00 72.50 72.54 1s1i s THR 136 CO -0.08 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.00 1s1i n LEU 137 N -0.38 0.00 -0.15 4.79 -0.00 -1.24 -3.16 117.00 116.87 1s1i n LEU 137 Ca -0.14 0.00 -0.08 0.00 -0.00 0.00 0.00 56.01 55.79 1s1i n LEU 137 Cb 0.64 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 44.06 1s1i n LEU 137 CO 0.12 0.00 1.04 1.23 -0.00 0.00 0.00 177.39 179.78 1s1i h GLY 138 N 0.00 0.64 0.65 1.47 0.00 -1.90 -3.03 103.07 100.89 1s1i h GLY 138 Ca 0.00 -0.26 0.07 0.00 0.00 0.00 0.00 47.33 47.14 1s1i h GLY 138 CO 0.00 0.25 0.39 1.70 0.00 0.00 0.00 176.54 178.88 1s1i h LYS 139 N 0.59 0.69 -0.20 4.80 3.11 -1.90 0.89 116.57 124.55 1s1i h LYS 139 Ca 0.16 -0.04 -0.01 0.00 -2.81 0.00 0.00 60.65 57.95 1s1i h LYS 139 Cb -0.02 -0.16 -0.01 0.00 -1.00 0.00 0.00 32.23 31.04 1s1i h LYS 139 CO -0.03 0.46 0.07 1.25 -2.81 0.00 0.00 179.45 178.39 1s1i h LEU 140 N 0.71 0.27 -0.64 5.20 5.85 -1.82 -0.45 115.31 124.43 1s1i h LEU 140 Ca 0.32 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1s1i h LEU 140 Cb 0.22 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.18 1s1i h LEU 140 CO -0.20 0.37 0.00 -1.20 -0.34 0.00 0.00 178.44 177.08 1s1i n SER 141 N -4.83 0.57 -0.04 1.25 7.64 0.65 -2.48 113.62 116.38 1s1i n SER 141 Ca -0.04 -1.77 -0.05 0.00 1.01 0.00 0.00 58.87 58.02 1s1i n SER 141 Cb 0.13 -0.28 -0.05 0.00 -1.01 0.00 0.00 64.21 62.99 1s1i n SER 141 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1s1i n THR 142 N -0.14 0.54 -0.28 0.44 -2.24 0.28 -4.32 114.28 108.55 1s1i n THR 142 Ca 0.00 -0.27 -0.05 0.00 -2.27 0.00 0.00 64.05 61.45 1s1i n THR 142 Cb 0.14 -0.82 0.06 0.00 -2.10 0.00 0.00 70.33 67.62 1s1i n THR 142 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1s1i h SER 143 N 0.00 0.98 -4.02 3.42 0.02 -1.06 -3.38 113.55 109.51 1s1i h SER 143 Ca -0.21 -0.12 -0.45 0.00 -0.84 0.00 0.00 61.79 60.17 1s1i h SER 143 Cb 1.41 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.68 1s1i h SER 143 CO -0.01 0.83 0.34 0.54 -1.14 0.00 0.00 176.83 177.39 1s1i s VAL 144 N -5.75 4.34 0.60 2.27 0.11 -1.04 -4.71 120.40 116.22 1s1i s VAL 144 Ca -0.13 1.57 -0.18 0.00 -2.93 0.00 0.00 61.98 60.31 1s1i s VAL 144 Cb 0.15 -3.70 -0.03 0.00 -1.53 0.00 0.00 36.38 31.27 1s1i s VAL 144 CO 0.81 -0.21 1.16 -0.83 -3.33 0.00 0.00 175.10 172.70 1s1i s GLY 145 N -2.04 2.56 0.00 6.54 0.00 -1.26 -4.69 107.32 108.42 1s1i s GLY 145 Ca 0.59 0.84 0.32 0.00 0.00 0.00 0.00 44.72 46.47 1s1i s GLY 145 CO 0.16 1.22 2.17 -2.67 0.00 0.00 0.00 173.10 173.97