#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p5t s GLU 2 N 0.00 -0.55 0.15 0.03 2.02 -1.26 -4.98 118.70 114.12 2p5t s GLU 2 Ca 0.00 0.59 0.11 0.00 0.02 0.00 0.00 54.97 55.69 2p5t s GLU 2 Cb 0.00 -1.62 -0.12 0.00 0.10 0.00 0.00 34.13 32.49 2p5t s GLU 2 CO 0.00 -3.41 1.25 0.82 0.02 0.00 0.00 175.26 173.94 2p5t h ILE 3 N -2.39 1.31 0.00 -1.63 1.08 -2.03 -3.18 117.51 110.67 2p5t h ILE 3 Ca -0.58 -2.91 -0.07 0.00 -0.39 0.00 0.00 64.86 60.91 2p5t h ILE 3 Cb 1.34 2.63 -0.01 0.00 -3.07 0.00 0.00 36.82 37.71 2p5t h ILE 3 CO 0.53 0.74 -0.44 0.06 -0.69 0.00 0.00 178.15 178.35 2p5t h GLN 4 N 0.00 0.00 -6.98 2.37 -0.00 -1.93 -3.44 115.11 105.12 2p5t h GLN 4 Ca -0.04 0.00 -0.52 0.00 -0.00 0.00 0.00 58.65 58.09 2p5t h GLN 4 Cb 1.66 0.00 0.08 0.00 -0.00 0.00 0.00 27.48 29.22 2p5t h GLN 4 CO 0.10 0.31 0.55 -0.51 -0.00 0.00 0.00 178.83 179.28 2p5t s ASP 5 N -6.28 6.14 0.02 0.06 1.01 -1.20 -4.92 116.67 111.50 2p5t s ASP 5 Ca 0.04 2.50 0.04 0.00 0.71 0.00 0.00 52.55 55.85 2p5t s ASP 5 Cb 0.07 -2.62 -0.02 0.00 1.01 0.00 0.00 42.92 41.36 2p5t s ASP 5 CO 0.73 -0.95 -0.12 -0.72 0.21 0.00 0.00 175.17 174.31 2p5t s TYR 6 N -1.39 1.10 0.55 4.23 -0.85 -1.26 -4.84 117.35 114.90 2p5t s TYR 6 Ca 0.61 -0.29 -0.19 0.00 -0.52 0.00 0.00 57.07 56.68 2p5t s TYR 6 Cb -0.34 -0.68 -0.07 0.00 0.38 0.00 0.00 41.96 41.25 2p5t s TYR 6 CO 0.42 0.01 0.83 2.41 -1.52 0.00 0.00 175.55 177.70 2p5t n THR 7 N 2.28 2.99 0.04 -3.49 -1.04 -1.26 -4.90 114.28 108.89 2p5t n THR 7 Ca -0.16 -0.50 -0.01 0.00 -2.04 0.00 0.00 64.05 61.34 2p5t n THR 7 Cb 0.55 -0.99 0.29 0.00 -1.82 0.00 0.00 70.33 68.36 2p5t n THR 7 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 2p5t h ASP 8 N 0.62 0.40 -0.35 8.00 3.58 -2.00 -2.48 116.42 124.18 2p5t h ASP 8 Ca -0.47 -0.10 0.01 0.00 0.42 0.00 0.00 57.03 56.90 2p5t h ASP 8 Cb 1.37 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 42.29 2p5t h ASP 8 CO 0.51 0.57 0.21 -1.28 -2.88 0.00 0.00 179.24 176.37 2p5t h SER 9 N 0.39 0.35 -0.58 2.28 0.87 -1.99 -1.18 113.55 113.68 2p5t h SER 9 Ca 0.07 -0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.55 2p5t h SER 9 Cb 0.47 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.33 2p5t h SER 9 CO 0.03 0.25 0.04 -0.33 -0.53 0.00 0.00 176.83 176.29 2p5t h GLU 10 N 0.43 1.00 0.65 2.24 5.08 -1.91 -1.02 114.58 121.05 2p5t h GLU 10 Ca 0.14 -0.30 -0.03 0.00 -1.00 0.00 0.00 59.36 58.16 2p5t h GLU 10 Cb -0.01 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.15 2p5t h GLU 10 CO -0.06 0.98 -0.31 0.35 -1.00 0.00 0.00 179.01 178.97 2p5t h PHE 11 N 0.89 -0.81 -0.77 4.33 3.57 -1.30 -0.31 116.94 122.55 2p5t h PHE 11 Ca 0.17 -0.02 0.18 0.00 3.53 0.00 0.00 57.97 61.83 2p5t h PHE 11 Cb 0.50 0.27 -0.12 0.00 2.79 0.00 0.00 35.95 39.39 2p5t h PHE 11 CO 0.04 -0.47 0.17 0.87 -2.23 0.00 0.00 178.31 176.69 2p5t h LYS 12 N -0.97 0.24 0.22 1.11 1.57 -1.16 0.26 116.57 117.84 2p5t h LYS 12 Ca -0.09 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 2p5t h LYS 12 Cb 0.70 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.95 2p5t h LYS 12 CO 0.15 0.16 -0.11 1.25 -0.57 0.00 0.00 179.45 180.33 2p5t h HIS 13 N 0.24 -0.27 -0.29 -1.35 2.76 -1.05 0.17 115.15 115.37 2p5t h HIS 13 Ca 0.44 -0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.66 2p5t h HIS 13 Cb 0.79 0.09 -0.05 0.00 1.55 0.00 0.00 27.41 29.79 2p5t h HIS 13 CO -0.28 -0.16 -0.05 0.00 -1.30 0.00 0.00 177.93 176.14 2p5t h ALA 14 N 0.48 0.22 -0.56 5.26 0.00 -0.01 -2.17 119.26 122.47 2p5t h ALA 14 Ca -0.03 0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.07 2p5t h ALA 14 Cb 0.23 0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.15 2p5t h ALA 14 CO 0.05 -0.45 0.18 1.25 0.00 0.00 0.00 179.25 180.28 2p5t h LEU 15 N 0.03 0.15 -0.11 0.00 5.85 -0.32 -2.48 115.31 118.43 2p5t h LEU 15 Ca 0.14 0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.98 2p5t h LEU 15 Cb 0.20 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.26 2p5t h LEU 15 CO -0.28 0.10 -0.20 0.00 -0.34 0.00 0.00 178.44 177.72 2p5t h ALA 16 N 1.40 -0.16 -0.55 1.25 0.00 -0.06 -0.83 119.26 120.30 2p5t h ALA 16 Ca 0.28 0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.33 2p5t h ALA 16 Cb 0.35 0.39 -0.08 0.00 0.00 0.00 0.00 17.79 18.45 2p5t h ALA 16 CO -0.31 -0.66 0.09 -0.09 0.00 0.00 0.00 179.25 178.28 2p5t h ARG 17 N -0.26 0.21 -0.22 0.00 2.43 -1.17 -2.14 114.38 113.23 2p5t h ARG 17 Ca 0.09 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.16 2p5t h ARG 17 Cb 0.40 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.90 2p5t h ARG 17 CO -0.27 0.14 -0.20 -0.91 -1.51 0.00 0.00 179.97 177.23 2p5t h ASN 18 N 0.22 0.56 -0.12 -3.80 2.35 -0.91 0.15 115.58 114.04 2p5t h ASN 18 Ca 0.29 -0.47 0.04 0.00 -0.55 0.00 0.00 56.30 55.61 2p5t h ASN 18 Cb 0.42 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.59 2p5t h ASN 18 CO -0.39 0.91 -0.12 -0.07 -1.65 0.00 0.00 177.43 176.10 2p5t h LEU 19 N 0.21 -0.39 0.02 1.61 3.38 -1.04 0.24 115.31 119.35 2p5t h LEU 19 Ca 0.04 0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.11 2p5t h LEU 19 Cb 0.74 0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.65 2p5t h LEU 19 CO 0.05 -0.17 -0.19 -0.09 0.09 0.00 0.00 178.44 178.14 2p5t h ARG 20 N -0.16 -0.30 -0.03 1.13 2.43 -1.26 -2.76 114.38 113.43 2p5t h ARG 20 Ca 0.08 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.27 2p5t h ARG 20 Cb 0.28 0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.89 2p5t h ARG 20 CO -0.21 -0.20 0.01 1.03 -1.51 0.00 0.00 179.97 179.09 2p5t h SER 21 N -0.31 0.05 0.37 -3.80 0.87 -0.03 -2.95 113.55 107.75 2p5t h SER 21 Ca 0.05 -0.19 -0.11 0.00 -1.23 0.00 0.00 61.79 60.32 2p5t h SER 21 Cb 0.38 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.31 2p5t h SER 21 CO -0.16 0.22 -0.46 -0.07 -0.53 0.00 0.00 176.83 175.83 2p5t h LEU 22 N -0.13 0.12 -1.79 2.23 3.38 -0.60 -3.21 115.31 115.31 2p5t h LEU 22 Ca 0.01 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 2p5t h LEU 22 Cb 0.19 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 2p5t h LEU 22 CO -0.00 0.57 -0.15 0.74 0.09 0.00 0.00 178.44 179.69 2p5t h THR 23 N 0.09 0.88 -1.82 0.22 2.02 -1.30 -3.46 112.91 109.55 2p5t h THR 23 Ca 0.00 -0.56 -0.67 0.00 0.77 0.00 0.00 66.41 65.95 2p5t h THR 23 Cb 0.86 1.32 0.04 0.00 -1.74 0.00 0.00 68.15 68.63 2p5t h THR 23 CO 0.07 0.15 0.78 0.54 0.37 0.00 0.00 175.52 177.43 2p5t n ARG 24 N -4.03 1.54 -2.56 6.66 1.74 -1.21 -0.95 116.66 117.84 2p5t n ARG 24 Ca -0.02 0.56 -0.21 0.00 -0.77 0.00 0.00 57.85 57.41 2p5t n ARG 24 Cb 0.23 -2.28 0.00 0.00 -1.02 0.00 0.00 32.46 29.40 2p5t n ARG 24 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2p5t n GLY 25 N 3.57 -0.51 3.47 -0.13 0.00 -1.26 -4.99 105.19 105.35 2p5t n GLY 25 Ca 0.21 0.03 -0.27 0.00 0.00 0.00 0.00 46.02 46.00 2p5t n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2p5t s LYS 26 N -5.21 1.68 0.08 1.61 3.01 -0.13 -4.73 119.74 116.05 2p5t s LYS 26 Ca 0.08 -1.45 0.03 0.00 -1.01 0.00 0.00 55.97 53.61 2p5t s LYS 26 Cb -0.03 -1.94 -0.03 0.00 -1.01 0.00 0.00 37.83 34.81 2p5t s LYS 26 CO 0.09 0.41 -0.09 0.15 0.51 0.00 0.00 175.35 176.43 2p5t s LYS 27 N -2.73 0.75 0.11 1.68 1.02 -1.26 -5.05 119.74 114.27 2p5t s LYS 27 Ca 0.22 -1.09 -0.19 0.00 0.02 0.00 0.00 55.97 54.94 2p5t s LYS 27 Cb -0.08 -0.39 -0.07 0.00 -0.52 0.00 0.00 37.83 36.77 2p5t s LYS 27 CO 0.11 0.05 0.60 -1.54 -0.92 0.00 0.00 175.35 173.65 2p5t s SER 28 N -2.34 7.03 0.05 2.83 1.04 -1.26 -4.54 113.70 116.52 2p5t s SER 28 Ca 0.03 1.27 -0.05 0.00 0.48 0.00 0.00 55.95 57.68 2p5t s SER 28 Cb -0.03 -2.36 -0.05 0.00 0.10 0.00 0.00 66.02 63.68 2p5t s SER 28 CO -0.01 0.20 0.28 -0.55 0.98 0.00 0.00 173.24 174.14 2p5t s SER 29 N -1.32 6.47 0.24 7.02 0.15 -0.52 -4.95 113.70 120.78 2p5t s SER 29 Ca 0.33 0.51 -0.03 0.00 0.70 0.00 0.00 55.95 57.46 2p5t s SER 29 Cb -0.18 -2.06 0.26 0.00 -1.71 0.00 0.00 66.02 62.32 2p5t s SER 29 CO 0.20 0.19 1.68 0.11 1.20 0.00 0.00 173.24 176.62 2p5t h LYS 30 N 3.52 0.76 -3.32 5.44 1.57 -1.97 -3.32 116.57 119.25 2p5t h LYS 30 Ca -0.48 -0.26 -0.66 0.00 -1.87 0.00 0.00 60.65 57.38 2p5t h LYS 30 Cb 1.18 -0.06 -0.39 0.00 0.08 0.00 0.00 32.23 33.04 2p5t h LYS 30 CO 0.70 0.86 -0.47 1.14 -0.57 0.00 0.00 179.45 181.11 2p5t s GLN 31 N -4.75 2.47 0.33 3.15 0.00 -1.26 -5.10 119.66 114.51 2p5t s GLN 31 Ca -0.09 -2.94 -0.25 0.00 -0.00 0.00 0.00 55.36 52.08 2p5t s GLN 31 Cb 0.14 -3.55 -0.10 0.00 0.00 0.00 0.00 33.01 29.50 2p5t s GLN 31 CO 0.82 -1.20 0.92 -1.25 0.00 0.00 0.00 175.29 174.58 2p5t s PRO 32 N -0.78 4.51 -0.01 9.60 0.05 -1.25 -4.92 135.00 142.18 2p5t s PRO 32 Ca 0.21 1.26 0.04 0.00 0.05 0.00 0.00 61.00 62.56 2p5t s PRO 32 Cb -0.15 -2.72 -0.03 0.00 0.05 0.00 0.00 34.50 31.65 2p5t s PRO 32 CO -0.08 0.25 -0.13 0.42 0.05 0.00 0.00 177.00 177.51 2p5t s ILE 33 N -1.68 3.15 -0.04 0.56 1.01 -1.26 -1.66 121.20 121.27 2p5t s ILE 33 Ca 0.51 -0.84 0.07 0.00 0.00 0.00 0.00 60.65 60.39 2p5t s ILE 33 Cb -0.17 -2.29 -0.01 0.00 0.01 0.00 0.00 42.46 39.99 2p5t s ILE 33 CO 0.22 0.48 -0.25 0.00 0.00 0.00 0.00 174.94 175.39 2p5t s ALA 34 N -0.84 2.15 -0.29 9.38 0.00 -0.27 -1.85 121.76 130.03 2p5t s ALA 34 Ca 0.14 -1.07 0.03 0.00 0.00 0.00 0.00 51.96 51.05 2p5t s ALA 34 Cb -0.11 -0.62 0.08 0.00 0.00 0.00 0.00 23.12 22.47 2p5t s ALA 34 CO 0.03 0.46 -0.03 0.42 0.00 0.00 0.00 175.76 176.65 2p5t s ILE 35 N -0.35 2.05 0.15 0.00 1.01 0.15 0.47 121.20 124.68 2p5t s ILE 35 Ca 0.02 -1.85 -0.30 0.00 0.00 0.00 0.00 60.65 58.52 2p5t s ILE 35 Cb -0.12 -2.34 -0.07 0.00 0.01 0.00 0.00 42.46 39.94 2p5t s ILE 35 CO 0.02 -0.31 0.99 -0.76 0.00 0.00 0.00 174.94 174.88 2p5t s LEU 36 N 1.09 4.52 0.17 2.97 1.43 0.49 -0.66 118.68 128.69 2p5t s LEU 36 Ca 0.01 1.89 0.02 0.00 -1.03 0.00 0.00 54.13 55.01 2p5t s LEU 36 Cb -0.19 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.39 2p5t s LEU 36 CO -0.08 -0.06 0.32 -0.76 0.23 0.00 0.00 176.35 176.00 2p5t s LEU 37 N -0.28 4.30 0.18 1.79 1.43 -0.53 -1.83 118.68 123.74 2p5t s LEU 37 Ca 0.46 0.24 -0.18 0.00 -1.03 0.00 0.00 54.13 53.62 2p5t s LEU 37 Cb -0.25 -2.99 0.03 0.00 0.03 0.00 0.00 46.19 43.02 2p5t s LEU 37 CO 0.31 0.02 0.51 -0.83 0.23 0.00 0.00 176.35 176.59 2p5t s GLY 38 N -3.23 -0.19 0.00 -3.19 0.00 -0.97 -3.50 107.32 96.23 2p5t s GLY 38 Ca 0.36 -0.10 0.00 0.00 0.00 0.00 0.00 44.72 44.97 2p5t s GLY 38 CO 0.29 -0.22 0.00 0.61 0.00 0.00 0.00 173.10 173.78 2p5t n GLY 39 N -0.32 2.62 3.54 0.20 0.00 -0.43 -2.63 105.19 108.16 2p5t n GLY 39 Ca -0.12 -1.97 -0.41 0.00 0.00 0.00 0.00 46.02 43.51 2p5t n GLY 39 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2p5t n GLN 40 N -1.48 0.96 0.00 1.61 6.02 -1.26 -4.74 117.38 118.48 2p5t n GLN 40 Ca 0.00 0.35 0.14 0.00 -0.01 0.00 0.00 57.00 57.48 2p5t n GLN 40 Cb 0.00 -1.79 0.69 0.00 1.02 0.00 0.00 30.24 30.16 2p5t n GLN 40 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2p5t n SER 41 N 0.80 0.16 -0.57 1.08 3.41 -1.26 -2.06 113.62 115.18 2p5t n SER 41 Ca 0.11 -0.23 0.05 0.00 -0.26 0.00 0.00 58.87 58.54 2p5t n SER 41 Cb 0.39 -0.22 0.13 0.00 -0.26 0.00 0.00 64.21 64.25 2p5t n SER 41 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2p5t n GLY 42 N 1.31 2.34 0.13 5.00 0.00 -1.26 -4.65 105.19 108.06 2p5t n GLY 42 Ca 0.14 -0.34 0.13 0.00 0.00 0.00 0.00 46.02 45.94 2p5t n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p5t h ALA 43 N 1.90 0.95 -0.88 4.61 0.00 -1.69 -3.37 119.26 120.79 2p5t h ALA 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2p5t h ALA 43 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2p5t h ALA 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2p5t n GLY 44 N 1.26 0.68 0.28 0.00 0.00 -1.26 -4.78 105.19 101.37 2p5t n GLY 44 Ca 0.05 -0.39 0.19 0.00 0.00 0.00 0.00 46.02 45.87 2p5t n GLY 44 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2p5t h LYS 45 N 0.00 0.00 0.00 1.61 1.57 -1.90 -0.60 116.57 117.25 2p5t h LYS 45 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 2p5t h LYS 45 Cb 0.36 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 2p5t h LYS 45 CO 0.00 0.00 -0.13 1.15 -0.57 0.00 0.00 179.45 179.90 2p5t h THR 46 N 0.00 0.86 -0.69 -0.16 2.02 -1.98 -2.30 112.91 110.66 2p5t h THR 46 Ca 0.00 -0.48 0.08 0.00 0.77 0.00 0.00 66.41 66.77 2p5t h THR 46 Cb 0.06 1.28 -0.06 0.00 -1.74 0.00 0.00 68.15 67.68 2p5t h THR 46 CO 0.00 0.13 0.35 0.74 0.37 0.00 0.00 175.52 177.11 2p5t h THR 47 N 0.00 0.89 -0.13 3.16 2.02 -1.48 -1.36 112.91 116.01 2p5t h THR 47 Ca -0.00 -0.21 -0.13 0.00 0.77 0.00 0.00 66.41 66.83 2p5t h THR 47 Cb 0.27 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 2p5t h THR 47 CO 0.02 0.11 -0.50 0.40 0.37 0.00 0.00 175.52 175.92 2p5t h ILE 48 N 0.63 1.34 -0.60 3.11 2.04 -1.59 -1.60 117.51 120.82 2p5t h ILE 48 Ca 0.33 -1.73 0.06 0.00 1.00 0.00 0.00 64.86 64.51 2p5t h ILE 48 Cb 0.29 1.78 -0.05 0.00 -0.74 0.00 0.00 36.82 38.10 2p5t h ILE 48 CO -0.23 0.52 0.31 0.45 0.00 0.00 0.00 178.15 179.20 2p5t h HIS 49 N 0.28 0.57 -0.57 1.37 3.86 -1.24 -0.11 115.15 119.31 2p5t h HIS 49 Ca 0.01 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.20 2p5t h HIS 49 Cb 0.98 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 29.26 2p5t h HIS 49 CO 0.03 0.26 0.17 -0.09 0.86 0.00 0.00 177.93 179.16 2p5t h ARG 50 N 0.58 0.89 -0.39 2.45 2.43 -0.78 -0.82 114.38 118.73 2p5t h ARG 50 Ca 0.27 -0.20 -0.13 0.00 -0.81 0.00 0.00 59.98 59.12 2p5t h ARG 50 Cb 0.19 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 2p5t h ARG 50 CO -0.19 0.81 -0.26 0.82 -1.51 0.00 0.00 179.97 179.64 2p5t h ILE 51 N 0.80 1.28 0.12 1.20 2.04 -1.08 -2.53 117.51 119.34 2p5t h ILE 51 Ca 0.18 -1.41 -0.28 0.00 1.00 0.00 0.00 64.86 64.35 2p5t h ILE 51 Cb 0.29 1.33 -0.00 0.00 -0.74 0.00 0.00 36.82 37.71 2p5t h ILE 51 CO -0.00 0.47 -1.33 0.11 0.00 0.00 0.00 178.15 177.40 2p5t h LYS 52 N 0.67 0.26 -0.47 2.37 1.79 -0.90 -1.71 116.57 118.58 2p5t h LYS 52 Ca 0.08 -0.44 -0.02 0.00 -2.18 0.00 0.00 60.65 58.09 2p5t h LYS 52 Cb 0.83 0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 31.62 2p5t h LYS 52 CO 0.07 1.17 0.23 1.96 -1.08 0.00 0.00 179.45 181.80 2p5t h GLN 53 N 0.07 0.68 -0.74 3.15 1.08 -1.25 -1.47 115.11 116.64 2p5t h GLN 53 Ca -0.17 -0.10 0.05 0.00 -1.45 0.00 0.00 58.65 56.98 2p5t h GLN 53 Cb 1.98 -0.12 -0.05 0.00 -0.05 0.00 0.00 27.48 29.24 2p5t h GLN 53 CO 0.19 0.57 0.44 0.87 -0.95 0.00 0.00 178.83 179.95 2p5t h LYS 54 N 0.62 0.81 -0.48 1.46 1.57 -1.44 -0.36 116.57 118.75 2p5t h LYS 54 Ca 0.16 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.83 2p5t h LYS 54 Cb 0.12 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 2p5t h LYS 54 CO -0.02 0.54 0.05 1.49 -0.57 0.00 0.00 179.45 180.93 2p5t h GLU 55 N 0.83 0.81 -0.01 3.15 4.81 -1.10 -2.89 114.58 120.18 2p5t h GLU 55 Ca 0.31 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 2p5t h GLU 55 Cb 0.12 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.41 2p5t h GLU 55 CO -0.15 0.83 -0.08 1.19 -0.73 0.00 0.00 179.01 180.07 2p5t n PHE 56 N -4.40 0.00 -3.78 0.92 3.72 -0.57 -4.96 117.46 108.39 2p5t n PHE 56 Ca 0.01 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.18 2p5t n PHE 56 Cb 0.27 -0.03 0.02 0.00 -0.94 0.00 0.00 39.48 38.80 2p5t n PHE 56 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2p5t n GLN 57 N 0.04 -4.41 -0.96 -1.08 6.02 -0.21 -1.80 117.38 114.98 2p5t n GLN 57 Ca 0.17 0.55 0.00 0.00 -0.01 0.00 0.00 57.00 57.71 2p5t n GLN 57 Cb 0.37 -4.98 0.00 0.00 1.02 0.00 0.00 30.24 26.66 2p5t n GLN 57 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2p5t n GLY 58 N -1.70 1.02 1.94 1.08 0.00 -0.80 -4.91 105.19 101.83 2p5t n GLY 58 Ca -0.30 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.52 2p5t n GLY 58 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2p5t n ASN 59 N 0.00 5.31 -3.98 1.61 5.15 -0.75 -4.74 115.26 117.86 2p5t n ASN 59 Ca 0.00 -3.20 -0.16 0.00 -0.60 0.00 0.00 54.58 50.62 2p5t n ASN 59 Cb 0.00 -0.89 -0.14 0.00 -0.53 0.00 0.00 39.78 38.22 2p5t n ASN 59 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 2p5t s ILE 60 N -2.71 0.47 -0.27 -1.44 2.07 -1.26 -4.36 121.20 113.70 2p5t s ILE 60 Ca 0.40 -0.33 -0.12 0.00 -1.41 0.00 0.00 60.65 59.19 2p5t s ILE 60 Cb 0.33 -0.41 -0.05 0.00 0.13 0.00 0.00 42.46 42.46 2p5t s ILE 60 CO 0.03 0.08 0.22 -0.69 -1.91 0.00 0.00 174.94 172.67 2p5t s VAL 61 N -0.26 5.30 -0.28 4.00 1.01 0.81 -4.89 120.40 126.08 2p5t s VAL 61 Ca 0.01 0.25 -0.25 0.00 0.00 0.00 0.00 61.98 61.99 2p5t s VAL 61 Cb -0.03 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.80 2p5t s VAL 61 CO -0.00 0.26 0.87 -0.63 0.00 0.00 0.00 175.10 175.59 2p5t s ILE 62 N 1.65 4.75 -0.52 2.22 1.01 -1.26 0.28 121.20 129.33 2p5t s ILE 62 Ca 0.09 1.49 -0.09 0.00 0.00 0.00 0.00 60.65 62.13 2p5t s ILE 62 Cb -0.15 -4.19 0.13 0.00 0.01 0.00 0.00 42.46 38.26 2p5t s ILE 62 CO 0.09 -0.22 0.39 -0.63 0.00 0.00 0.00 174.94 174.58 2p5t s ILE 63 N 3.05 4.30 -0.46 2.92 1.01 -0.16 -4.96 121.20 126.89 2p5t s ILE 63 Ca 0.36 -1.96 -0.16 0.00 0.00 0.00 0.00 60.65 58.90 2p5t s ILE 63 Cb -0.14 -3.81 0.06 0.00 0.01 0.00 0.00 42.46 38.58 2p5t s ILE 63 CO 0.10 -0.81 0.39 -0.62 0.00 0.00 0.00 174.94 174.01 2p5t s ASP 64 N 2.46 6.15 0.25 3.58 -1.08 -1.26 -1.06 116.67 125.71 2p5t s ASP 64 Ca 0.08 -1.22 -0.08 0.00 -0.52 0.00 0.00 52.55 50.81 2p5t s ASP 64 Cb -0.24 -2.19 0.42 0.00 -1.46 0.00 0.00 42.92 39.45 2p5t s ASP 64 CO -0.02 -0.63 1.61 1.23 0.52 0.00 0.00 175.17 177.89 2p5t h GLY 65 N 8.79 0.76 1.00 2.66 0.00 -1.91 -2.78 103.07 111.59 2p5t h GLY 65 Ca -0.28 0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.21 2p5t h GLY 65 CO 0.86 -0.32 0.31 -0.55 0.00 0.00 0.00 176.54 176.84 2p5t h ASP 66 N 0.05 0.85 -0.85 0.19 3.32 -1.93 -2.84 116.42 115.22 2p5t h ASP 66 Ca 0.41 -0.13 0.17 0.00 0.02 0.00 0.00 57.03 57.50 2p5t h ASP 66 Cb 0.71 -0.22 -0.06 0.00 0.22 0.00 0.00 39.33 39.98 2p5t h ASP 66 CO -0.75 0.75 0.56 0.77 -1.72 0.00 0.00 179.24 178.84 2p5t h SER 67 N 0.90 0.45 0.90 6.45 4.64 -1.92 -1.25 113.55 123.71 2p5t h SER 67 Ca 0.22 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 2p5t h SER 67 Cb 0.12 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 2p5t h SER 67 CO -0.03 0.21 0.00 0.49 -0.87 0.00 0.00 176.83 176.63 2p5t n PHE 68 N -4.51 0.62 -0.01 4.77 3.72 -1.07 -3.48 117.46 117.51 2p5t n PHE 68 Ca 0.17 0.22 -0.09 0.00 -0.05 0.00 0.00 57.45 57.70 2p5t n PHE 68 Cb 0.60 -0.86 -0.04 0.00 -0.94 0.00 0.00 39.48 38.24 2p5t n PHE 68 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2p5t h ARG 69 N 0.00 -0.05 -0.57 -1.08 3.08 -1.35 -2.37 114.38 112.03 2p5t h ARG 69 Ca 0.00 0.00 0.17 0.00 0.07 0.00 0.00 59.98 60.22 2p5t h ARG 69 Cb 0.45 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 2p5t h ARG 69 CO 0.00 -0.04 0.52 1.03 -1.07 0.00 0.00 179.97 180.41 2p5t h SER 70 N -0.06 0.00 0.00 7.04 0.87 -1.74 -0.82 113.55 118.84 2p5t h SER 70 Ca 0.07 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 2p5t h SER 70 Cb 0.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 2p5t h SER 70 CO -0.17 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.13 2p5t n GLN 71 N -3.91 0.95 -1.67 2.24 6.02 -0.89 -4.74 117.38 115.38 2p5t n GLN 71 Ca 0.11 0.00 -0.45 0.00 -0.01 0.00 0.00 57.00 56.65 2p5t n GLN 71 Cb 0.74 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 30.48 2p5t n GLN 71 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 2p5t n HIS 72 N -1.00 2.10 -0.31 1.08 -0.00 -0.32 -4.87 115.22 111.90 2p5t n HIS 72 Ca 0.23 0.47 0.14 0.00 0.46 0.00 0.00 57.72 59.02 2p5t n HIS 72 Cb 0.11 -2.44 0.32 0.00 -0.12 0.00 0.00 29.99 27.86 2p5t n HIS 72 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 2p5t h PRO 73 N 3.85 0.36 -1.51 1.57 0.11 -1.91 -2.38 132.00 132.09 2p5t h PRO 73 Ca -0.45 -0.02 -0.61 0.00 0.11 0.00 0.00 66.00 65.03 2p5t h PRO 73 Cb 1.28 -0.08 -0.40 0.00 0.11 0.00 0.00 31.00 31.91 2p5t h PRO 73 CO 0.73 0.24 -0.49 0.72 -0.21 0.00 0.00 178.00 178.99 2p5t n HIS 74 N -5.07 3.31 0.34 0.65 8.25 -1.26 -4.86 115.22 116.58 2p5t n HIS 74 Ca 0.23 -2.95 -0.13 0.00 -0.26 0.00 0.00 57.72 54.61 2p5t n HIS 74 Cb 0.69 -0.26 -0.06 0.00 1.12 0.00 0.00 29.99 31.48 2p5t n HIS 74 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 2p5t h TYR 75 N 2.59 -0.81 -0.95 4.41 3.20 -1.72 -0.96 116.97 122.74 2p5t h TYR 75 Ca 0.34 -0.02 0.14 0.00 3.14 0.00 0.00 58.73 62.34 2p5t h TYR 75 Cb 0.86 0.27 -0.08 0.00 1.54 0.00 0.00 36.73 39.31 2p5t h TYR 75 CO 0.88 -0.50 0.60 -0.07 -1.64 0.00 0.00 178.16 177.43 2p5t h LEU 76 N -1.01 0.77 -1.39 2.82 3.38 -1.89 0.18 115.31 118.17 2p5t h LEU 76 Ca -0.09 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 2p5t h LEU 76 Cb 0.67 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2p5t h LEU 76 CO 0.15 0.38 0.00 -0.08 0.09 0.00 0.00 178.44 178.98 2p5t h GLU 77 N 0.81 0.40 0.00 1.13 4.22 -1.91 -2.12 114.58 117.11 2p5t h GLU 77 Ca 0.48 -0.07 -0.20 0.00 0.08 0.00 0.00 59.36 59.65 2p5t h GLU 77 Cb 0.67 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 2p5t h GLU 77 CO -0.25 0.43 -1.00 -0.07 -2.18 0.00 0.00 179.01 175.94 2p5t h LEU 78 N 0.39 0.00 -0.07 1.64 3.38 0.65 -3.16 115.31 118.14 2p5t h LEU 78 Ca 0.09 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.08 2p5t h LEU 78 Cb 0.26 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2p5t h LEU 78 CO 0.01 0.94 -0.04 -0.61 0.09 0.00 0.00 178.44 178.83 2p5t h GLN 79 N 0.00 -0.04 -0.31 1.13 5.75 -0.37 -1.47 115.11 119.81 2p5t h GLN 79 Ca -0.03 0.00 0.05 0.00 -0.15 0.00 0.00 58.65 58.52 2p5t h GLN 79 Cb 1.74 0.01 -0.04 0.00 1.07 0.00 0.00 27.48 30.26 2p5t h GLN 79 CO 0.12 -0.03 0.05 0.37 -2.65 0.00 0.00 178.83 176.69 2p5t h GLN 80 N -0.04 0.15 0.12 1.69 5.75 -1.42 0.62 115.11 121.97 2p5t h GLN 80 Ca 0.04 -0.01 -0.28 0.00 -0.15 0.00 0.00 58.65 58.25 2p5t h GLN 80 Cb 0.10 -0.03 -0.00 0.00 1.07 0.00 0.00 27.48 28.61 2p5t h GLN 80 CO -0.09 0.10 -1.36 0.93 -2.65 0.00 0.00 178.83 175.75 2p5t h GLU 81 N 0.15 0.25 0.00 1.69 4.39 -1.51 -3.38 114.58 116.16 2p5t h GLU 81 Ca 0.15 -0.42 0.00 0.00 0.34 0.00 0.00 59.36 59.43 2p5t h GLU 81 Cb 0.17 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 2p5t h GLU 81 CO -0.20 1.15 0.00 0.66 -1.16 0.00 0.00 179.01 179.46 2p5t n TYR 82 N -3.48 0.00 0.00 4.33 4.01 -0.56 -5.05 117.16 116.41 2p5t n TYR 82 Ca -0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.62 2p5t n TYR 82 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.06 2p5t n TYR 82 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2p5t n GLY 83 N 0.40 0.34 0.12 2.72 0.00 0.22 0.28 105.19 109.26 2p5t n GLY 83 Ca 0.00 0.67 0.09 0.00 0.00 0.00 0.00 46.02 46.78 2p5t n GLY 83 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2p5t h LYS 84 N 0.00 0.00 -0.00 1.61 -0.00 -1.94 -3.35 116.57 112.89 2p5t h LYS 84 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.65 2p5t h LYS 84 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.23 2p5t h LYS 84 CO 0.00 0.06 -0.12 -0.25 -0.00 0.00 0.00 179.45 179.14 2p5t n ASP 85 N -2.74 0.51 0.01 7.07 8.00 0.14 -4.06 116.55 125.48 2p5t n ASP 85 Ca -0.02 -0.59 0.22 0.00 0.71 0.00 0.00 54.79 55.12 2p5t n ASP 85 Cb 0.60 -0.06 0.73 0.00 -0.02 0.00 0.00 41.12 42.37 2p5t n ASP 85 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 2p5t h SER 86 N 0.61 0.00 -1.04 -2.24 4.64 -1.69 0.53 113.55 114.37 2p5t h SER 86 Ca 0.00 0.00 0.26 0.00 -0.47 0.00 0.00 61.79 61.58 2p5t h SER 86 Cb 0.37 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.36 2p5t h SER 86 CO 0.00 0.00 0.67 0.58 -0.87 0.00 0.00 176.83 177.21 2p5t h VAL 87 N 0.00 0.53 -0.82 0.95 2.07 -1.89 0.13 116.25 117.22 2p5t h VAL 87 Ca 0.26 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.64 2p5t h VAL 87 Cb 1.23 0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 2p5t h VAL 87 CO -0.00 0.07 0.47 -0.08 0.02 0.00 0.00 177.57 178.05 2p5t h GLU 88 N 0.40 1.13 0.00 1.57 4.81 -1.22 -3.11 114.58 118.17 2p5t h GLU 88 Ca 0.59 -0.12 -0.20 0.00 -0.13 0.00 0.00 59.36 59.51 2p5t h GLU 88 Cb 1.49 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 30.61 2p5t h GLU 88 CO -0.30 0.81 -1.22 1.88 -0.73 0.00 0.00 179.01 179.45 2p5t h TYR 89 N 1.13 0.00 0.00 0.92 0.05 -0.94 -3.36 116.97 114.77 2p5t h TYR 89 Ca 0.29 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.97 2p5t h TYR 89 Cb -0.01 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.72 2p5t h TYR 89 CO 0.00 0.77 -0.63 1.79 -1.05 0.00 0.00 178.16 179.04 2p5t h THR 90 N 0.00 0.72 -0.53 -2.88 1.35 -1.35 -3.38 112.91 106.82 2p5t h THR 90 Ca -0.13 -2.06 0.10 0.00 -0.55 0.00 0.00 66.41 63.77 2p5t h THR 90 Cb 1.70 2.30 -0.08 0.00 -1.73 0.00 0.00 68.15 70.34 2p5t h THR 90 CO 0.08 0.41 0.06 0.50 -0.25 0.00 0.00 175.52 176.31 2p5t h LYS 91 N 0.00 0.17 -0.17 4.72 3.64 -1.69 -1.37 116.57 121.87 2p5t h LYS 91 Ca -0.03 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.39 2p5t h LYS 91 Cb 1.38 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 33.11 2p5t h LYS 91 CO 0.06 0.12 -0.14 0.22 -2.27 0.00 0.00 179.45 177.43 2p5t h ASP 92 N 0.18 -0.44 0.25 4.20 1.82 -1.83 0.31 116.42 120.91 2p5t h ASP 92 Ca 0.27 0.09 -0.01 0.00 -0.39 0.00 0.00 57.03 57.00 2p5t h ASP 92 Cb 0.41 0.22 -0.00 0.00 0.68 0.00 0.00 39.33 40.63 2p5t h ASP 92 CO -0.40 -0.18 -0.15 0.15 -1.61 0.00 0.00 179.24 177.05 2p5t h PHE 93 N -0.15 -0.38 -0.05 0.28 3.04 -1.71 -2.36 116.94 115.60 2p5t h PHE 93 Ca 0.11 -0.00 0.02 0.00 3.98 0.00 0.00 57.97 62.07 2p5t h PHE 93 Cb 0.31 0.14 -0.00 0.00 2.56 0.00 0.00 35.95 38.95 2p5t h PHE 93 CO -0.28 -0.23 0.04 0.00 -2.02 0.00 0.00 178.31 175.82 2p5t h ALA 94 N 0.36 2.00 0.12 2.41 0.00 -0.75 -1.55 119.26 121.85 2p5t h ALA 94 Ca -0.03 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2p5t h ALA 94 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2p5t h ALA 94 CO 0.03 -0.07 -0.06 0.78 0.00 0.00 0.00 179.25 179.94 2p5t h GLY 95 N 0.00 -0.17 1.64 0.00 0.00 -0.03 -2.36 103.07 102.16 2p5t h GLY 95 Ca 0.03 0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 2p5t h GLY 95 CO -0.00 -0.06 0.17 0.50 0.00 0.00 0.00 176.54 177.15 2p5t h LYS 96 N -0.49 0.48 -0.03 4.80 6.56 -1.03 -1.19 116.57 125.66 2p5t h LYS 96 Ca -0.02 -0.05 -0.05 0.00 -1.06 0.00 0.00 60.65 59.48 2p5t h LYS 96 Cb 0.40 -0.10 -0.01 0.00 -0.57 0.00 0.00 32.23 31.95 2p5t h LYS 96 CO 0.03 0.37 -0.21 0.52 -2.06 0.00 0.00 179.45 178.10 2p5t h MET 97 N 0.49 0.05 0.33 3.15 2.86 -1.15 0.11 114.93 120.77 2p5t h MET 97 Ca 0.13 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.74 2p5t h MET 97 Cb 0.05 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.70 2p5t h MET 97 CO -0.02 0.26 -0.16 0.28 1.06 0.00 0.00 176.91 178.34 2p5t h VAL 98 N 0.05 0.16 -0.91 -2.22 2.07 -0.86 -2.90 116.25 111.63 2p5t h VAL 98 Ca 0.01 -0.72 0.26 0.00 0.82 0.00 0.00 66.70 67.06 2p5t h VAL 98 Cb 0.41 0.26 -0.15 0.00 -1.52 0.00 0.00 31.29 30.28 2p5t h VAL 98 CO 0.03 0.04 0.22 -0.08 0.02 0.00 0.00 177.57 177.80 2p5t h GLU 99 N -1.08 0.14 -0.28 1.57 4.81 -0.94 0.42 114.58 119.21 2p5t h GLU 99 Ca -0.05 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.10 2p5t h GLU 99 Cb 0.41 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 2p5t h GLU 99 CO 0.08 0.09 -0.13 0.77 -0.73 0.00 0.00 179.01 179.09 2p5t h SER 100 N 0.15 0.61 -0.06 1.04 0.02 -0.88 -0.10 113.55 114.32 2p5t h SER 100 Ca 0.59 -0.41 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 2p5t h SER 100 Cb 1.25 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 63.62 2p5t h SER 100 CO -0.72 0.88 -0.01 -0.07 -1.14 0.00 0.00 176.83 175.77 2p5t h LEU 101 N 0.34 0.11 -0.53 5.07 3.38 -0.82 0.43 115.31 123.29 2p5t h LEU 101 Ca 0.06 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 2p5t h LEU 101 Cb 0.65 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 2p5t h LEU 101 CO 0.04 0.42 0.31 0.58 0.09 0.00 0.00 178.44 179.88 2p5t h VAL 102 N -0.20 1.17 0.42 1.22 2.07 -0.27 0.59 116.25 121.24 2p5t h VAL 102 Ca 0.02 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 2p5t h VAL 102 Cb 0.37 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 2p5t h VAL 102 CO 0.00 0.18 -0.39 0.74 0.02 0.00 0.00 177.57 178.12 2p5t h THR 103 N 0.71 0.00 -0.29 2.57 2.02 -0.95 -2.65 112.91 114.32 2p5t h THR 103 Ca 0.19 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.35 2p5t h THR 103 Cb 0.01 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.41 2p5t h THR 103 CO -0.03 0.00 0.10 0.50 0.37 0.00 0.00 175.52 176.46 2p5t h LYS 104 N -0.80 0.45 -0.10 6.66 1.63 -0.74 -2.45 116.57 121.23 2p5t h LYS 104 Ca -0.05 -0.09 -0.16 0.00 -0.85 0.00 0.00 60.65 59.50 2p5t h LYS 104 Cb 0.68 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.23 2p5t h LYS 104 CO -0.03 0.50 -0.61 -0.07 -3.45 0.00 0.00 179.45 175.78 2p5t h LEU 105 N 0.32 0.39 -0.76 5.20 3.38 -0.98 -2.39 115.31 120.46 2p5t h LEU 105 Ca 0.10 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 2p5t h LEU 105 Cb 0.23 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 2p5t h LEU 105 CO -0.00 0.91 0.32 0.77 0.09 0.00 0.00 178.44 180.53 2p5t h SER 106 N 0.25 1.03 -0.87 -0.43 4.64 -1.39 -1.42 113.55 115.36 2p5t h SER 106 Ca -0.01 -0.16 0.08 0.00 -0.47 0.00 0.00 61.79 61.23 2p5t h SER 106 Cb 1.14 -0.27 -0.06 0.00 -0.31 0.00 0.00 62.40 62.91 2p5t h SER 106 CO 0.10 0.90 0.56 0.28 -0.87 0.00 0.00 176.83 177.81 2p5t h SER 107 N 1.08 0.82 1.34 4.97 0.02 -1.06 -2.32 113.55 118.39 2p5t h SER 107 Ca 0.25 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 2p5t h SER 107 Cb 0.18 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.56 2p5t h SER 107 CO -0.02 0.51 -0.20 -0.07 -1.14 0.00 0.00 176.83 175.90 2p5t h LEU 108 N 0.92 0.00 0.00 5.07 3.38 -0.93 -3.48 115.31 120.27 2p5t h LEU 108 Ca 0.39 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.30 2p5t h LEU 108 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2p5t h LEU 108 CO -0.15 0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.02 2p5t n GLY 109 N 1.30 0.95 3.77 0.83 0.00 -0.59 -4.78 105.19 106.66 2p5t n GLY 109 Ca 0.05 -0.03 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 2p5t n GLY 109 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2p5t s TYR 110 N -2.00 3.09 0.15 1.61 2.02 -1.04 -1.44 117.35 119.73 2p5t s TYR 110 Ca 0.00 1.51 -0.31 0.00 -0.37 0.00 0.00 57.07 57.90 2p5t s TYR 110 Cb 0.00 -3.51 -0.08 0.00 -0.40 0.00 0.00 41.96 37.97 2p5t s TYR 110 CO 0.00 -1.50 1.35 -0.80 -1.57 0.00 0.00 175.55 173.03 2p5t s ASN 111 N -0.85 6.86 -0.07 2.29 0.01 -1.26 -4.74 114.94 117.17 2p5t s ASN 111 Ca 0.53 2.35 0.04 0.00 -0.71 0.00 0.00 52.86 55.08 2p5t s ASN 111 Cb -0.35 -2.60 -0.01 0.00 0.41 0.00 0.00 41.25 38.70 2p5t s ASN 111 CO 0.45 -0.60 -0.21 -0.76 -1.51 0.00 0.00 177.10 174.47 2p5t s LEU 112 N 0.59 2.29 -0.43 0.60 1.43 -0.77 -0.14 118.68 122.25 2p5t s LEU 112 Ca 0.61 -0.43 -0.03 0.00 -1.03 0.00 0.00 54.13 53.25 2p5t s LEU 112 Cb -0.37 -1.45 0.12 0.00 0.03 0.00 0.00 46.19 44.52 2p5t s LEU 112 CO 0.34 0.24 0.23 -0.22 0.23 0.00 0.00 176.35 177.17 2p5t s LEU 113 N -0.12 5.24 -0.45 1.79 2.96 0.14 0.29 118.68 128.54 2p5t s LEU 113 Ca -0.04 -2.14 -0.18 0.00 -0.22 0.00 0.00 54.13 51.55 2p5t s LEU 113 Cb -0.14 -1.83 0.03 0.00 0.50 0.00 0.00 46.19 44.76 2p5t s LEU 113 CO 0.04 -0.52 0.52 -0.63 -1.32 0.00 0.00 176.35 174.44 2p5t s ILE 114 N 0.98 4.99 0.52 6.68 1.01 0.17 -0.99 121.20 134.56 2p5t s ILE 114 Ca 0.09 -0.31 -0.23 0.00 0.00 0.00 0.00 60.65 60.20 2p5t s ILE 114 Cb -0.22 -4.14 -0.06 0.00 0.01 0.00 0.00 42.46 38.05 2p5t s ILE 114 CO -0.04 -0.55 1.38 1.21 0.00 0.00 0.00 174.94 176.93 2p5t n GLU 115 N 5.85 1.85 -3.84 2.79 4.07 -0.22 -1.45 120.64 129.69 2p5t n GLU 115 Ca -0.06 0.67 0.02 0.00 -0.06 0.00 0.00 57.16 57.73 2p5t n GLU 115 Cb 0.47 -2.59 0.01 0.00 -0.06 0.00 0.00 31.44 29.27 2p5t n GLU 115 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 2p5t s GLY 116 N -0.78 -0.23 -0.00 8.31 0.00 -1.23 -4.72 107.32 108.67 2p5t s GLY 116 Ca 0.69 0.28 0.00 0.00 0.00 0.00 0.00 44.72 45.69 2p5t s GLY 116 CO 0.52 3.32 0.00 -0.37 0.00 0.00 0.00 173.10 176.57 2p5t n THR 117 N -0.73 0.01 -2.69 0.90 5.66 -1.24 -3.57 114.28 112.62 2p5t n THR 117 Ca -0.02 -0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.85 2p5t n THR 117 Cb 0.60 -0.95 0.02 0.00 -1.55 0.00 0.00 70.33 68.46 2p5t n THR 117 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 2p5t n LEU 118 N -2.05 -2.20 0.07 1.09 7.94 -1.26 -1.32 117.00 119.27 2p5t n LEU 118 Ca -0.00 -0.16 0.11 0.00 -1.11 0.00 0.00 56.01 54.85 2p5t n LEU 118 Cb 0.50 -1.94 0.45 0.00 0.53 0.00 0.00 43.42 42.96 2p5t n LEU 118 CO 0.00 0.13 0.85 -1.14 -1.11 0.00 0.00 177.39 176.12 2p5t n ARG 119 N -2.64 0.12 -3.79 1.96 0.63 -1.26 -4.62 116.66 107.06 2p5t n ARG 119 Ca -0.07 0.25 -0.13 0.00 -0.92 0.00 0.00 57.85 56.99 2p5t n ARG 119 Cb 0.57 -1.69 -0.13 0.00 0.45 0.00 0.00 32.46 31.67 2p5t n ARG 119 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 2p5t s THR 120 N -3.13 -0.01 0.44 5.15 2.01 -1.26 -4.94 115.64 113.90 2p5t s THR 120 Ca 0.08 0.05 0.18 0.00 0.31 0.00 0.00 61.69 62.31 2p5t s THR 120 Cb 0.12 -0.28 0.21 0.00 0.01 0.00 0.00 72.50 72.56 2p5t s THR 120 CO 0.43 0.02 2.01 -0.37 -0.69 0.00 0.00 174.62 176.02 2p5t h VAL 121 N 5.20 0.97 -0.26 3.82 -1.51 -1.92 -3.37 116.25 119.18 2p5t h VAL 121 Ca -0.30 -0.62 0.03 0.00 -1.23 0.00 0.00 66.70 64.57 2p5t h VAL 121 Cb 1.18 1.35 -0.04 0.00 -2.13 0.00 0.00 31.29 31.65 2p5t h VAL 121 CO 0.39 0.17 -0.21 0.44 -1.23 0.00 0.00 177.57 177.14 2p5t h ASP 122 N 0.00 -0.73 -0.15 4.19 3.32 -1.99 -1.57 116.42 119.49 2p5t h ASP 122 Ca -0.00 0.10 -0.18 0.00 0.02 0.00 0.00 57.03 56.98 2p5t h ASP 122 Cb 0.34 0.31 0.01 0.00 0.22 0.00 0.00 39.33 40.20 2p5t h ASP 122 CO 0.02 -0.11 -0.59 0.58 -1.72 0.00 0.00 179.24 177.42 2p5t h VAL 123 N -0.07 1.32 -0.89 -1.35 2.07 -2.00 -2.02 116.25 113.31 2p5t h VAL 123 Ca 0.04 -1.84 0.00 0.00 0.82 0.00 0.00 66.70 65.72 2p5t h VAL 123 Cb 0.18 2.02 -0.04 0.00 -1.52 0.00 0.00 31.29 31.93 2p5t h VAL 123 CO -0.28 0.57 0.56 -0.65 0.02 0.00 0.00 177.57 177.79 2p5t h PRO 124 N 0.34 1.20 -0.04 1.57 0.11 -1.78 -1.28 132.00 132.11 2p5t h PRO 124 Ca -0.03 -0.09 0.03 0.00 0.11 0.00 0.00 66.00 66.02 2p5t h PRO 124 Cb 1.22 -0.26 -0.04 0.00 0.11 0.00 0.00 31.00 32.04 2p5t h PRO 124 CO 0.12 0.82 -0.15 -0.22 -0.21 0.00 0.00 178.00 178.36 2p5t h LYS 125 N 1.22 -0.22 -0.53 1.05 3.64 -1.16 0.17 116.57 120.74 2p5t h LYS 125 Ca 0.32 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.74 2p5t h LYS 125 Cb -0.09 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 2p5t h LYS 125 CO -0.06 -0.14 0.33 0.87 -2.27 0.00 0.00 179.45 178.17 2p5t h LYS 126 N -0.22 0.64 -0.48 1.90 1.57 -1.25 -2.72 116.57 116.01 2p5t h LYS 126 Ca 0.06 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 2p5t h LYS 126 Cb 0.31 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 2p5t h LYS 126 CO -0.18 0.43 0.11 1.15 -0.57 0.00 0.00 179.45 180.39 2p5t h THR 127 N 0.66 1.24 -0.58 -0.16 2.02 -0.84 -2.09 112.91 113.15 2p5t h THR 127 Ca 0.21 -0.85 -0.01 0.00 0.77 0.00 0.00 66.41 66.52 2p5t h THR 127 Cb -0.02 0.88 -0.03 0.00 -1.74 0.00 0.00 68.15 67.24 2p5t h THR 127 CO -0.07 0.30 0.31 0.00 0.37 0.00 0.00 175.52 176.42 2p5t h ALA 128 N 0.98 0.75 -0.14 6.16 0.00 -0.57 -1.02 119.26 125.41 2p5t h ALA 128 Ca 0.15 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2p5t h ALA 128 Cb 0.34 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2p5t h ALA 128 CO 0.00 0.28 -0.03 1.96 0.00 0.00 0.00 179.25 181.47 2p5t h GLN 129 N 0.79 0.27 -0.75 0.00 7.50 -1.47 0.23 115.11 121.68 2p5t h GLN 129 Ca 0.20 -0.10 0.17 0.00 0.50 0.00 0.00 58.65 59.42 2p5t h GLN 129 Cb 0.07 -0.02 -0.13 0.00 0.05 0.00 0.00 27.48 27.45 2p5t h GLN 129 CO -0.03 0.55 -0.02 1.25 -1.50 0.00 0.00 178.83 179.08 2p5t h LEU 130 N -0.03 -0.39 -0.18 1.46 5.85 -1.21 -0.57 115.31 120.25 2p5t h LEU 130 Ca 0.04 0.20 -0.08 0.00 0.84 0.00 0.00 57.88 58.87 2p5t h LEU 130 Cb 0.44 0.36 -0.00 0.00 0.37 0.00 0.00 40.66 41.83 2p5t h LEU 130 CO 0.01 -0.19 -0.22 -0.07 -0.34 0.00 0.00 178.44 177.64 2p5t h LEU 131 N 0.09 0.49 -1.26 2.25 3.38 -0.99 -3.15 115.31 116.12 2p5t h LEU 131 Ca 0.41 -0.50 0.09 0.00 0.09 0.00 0.00 57.88 57.96 2p5t h LEU 131 Cb 0.71 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.26 2p5t h LEU 131 CO -0.68 0.90 0.55 0.11 0.09 0.00 0.00 178.44 179.41 2p5t h LYS 132 N 0.10 0.82 -0.65 1.13 1.57 0.23 -1.17 116.57 118.61 2p5t h LYS 132 Ca 0.02 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 2p5t h LYS 132 Cb 0.77 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.87 2p5t h LYS 132 CO 0.05 0.54 0.24 -0.91 -0.57 0.00 0.00 179.45 178.80 2p5t h ASN 133 N 0.85 0.88 0.00 0.86 4.21 -1.15 -2.08 115.58 119.15 2p5t h ASN 133 Ca 0.38 -0.13 0.00 0.00 1.21 0.00 0.00 56.30 57.76 2p5t h ASN 133 Cb 0.36 -0.23 0.00 0.00 -1.12 0.00 0.00 38.32 37.33 2p5t h ASN 133 CO -0.15 0.81 0.00 0.29 -1.29 0.00 0.00 177.43 177.09 2p5t n LYS 134 N -4.29 0.87 -0.46 0.81 5.02 -0.52 -4.86 118.16 114.72 2p5t n LYS 134 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 2p5t n LYS 134 Cb 0.19 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 2p5t n LYS 134 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2p5t n GLY 135 N 0.70 0.74 3.77 0.72 0.00 -0.78 -5.03 105.19 105.31 2p5t n GLY 135 Ca 0.19 -0.30 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 2p5t n GLY 135 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2p5t s TYR 136 N -2.00 3.65 -0.54 1.61 2.02 -0.76 -4.67 117.35 116.66 2p5t s TYR 136 Ca 0.00 1.76 -0.27 0.00 -0.37 0.00 0.00 57.07 58.20 2p5t s TYR 136 Cb 0.00 -3.10 0.03 0.00 -0.40 0.00 0.00 41.96 38.49 2p5t s TYR 136 CO 0.00 -0.15 1.06 -2.00 -1.57 0.00 0.00 175.55 172.89 2p5t s GLU 137 N -1.71 3.49 0.02 -0.62 2.12 -0.67 -4.31 118.70 117.02 2p5t s GLU 137 Ca 0.47 0.12 -0.18 0.00 0.36 0.00 0.00 54.97 55.74 2p5t s GLU 137 Cb -0.26 -4.00 -0.06 0.00 0.26 0.00 0.00 34.13 30.08 2p5t s GLU 137 CO 0.32 -1.50 0.52 0.08 -0.54 0.00 0.00 175.26 174.14 2p5t s VAL 138 N 4.37 4.89 0.10 3.70 1.01 -1.26 -1.12 120.40 132.09 2p5t s VAL 138 Ca 0.39 1.09 0.03 0.00 0.00 0.00 0.00 61.98 63.49 2p5t s VAL 138 Cb -0.09 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 2p5t s VAL 138 CO 0.25 0.52 -0.10 -1.10 0.00 0.00 0.00 175.10 174.67 2p5t s GLN 139 N -0.78 0.85 -0.19 2.72 -0.21 0.18 -1.38 119.66 120.85 2p5t s GLN 139 Ca 0.28 -1.19 0.01 0.00 0.02 0.00 0.00 55.36 54.47 2p5t s GLN 139 Cb -0.18 -0.50 0.02 0.00 1.00 0.00 0.00 33.01 33.36 2p5t s GLN 139 CO 0.16 0.07 -0.19 -1.17 -2.12 0.00 0.00 175.29 172.04 2p5t s LEU 140 N -2.55 2.25 -0.10 2.90 2.96 -0.19 -0.38 118.68 123.56 2p5t s LEU 140 Ca 0.07 -0.71 0.03 0.00 -0.22 0.00 0.00 54.13 53.30 2p5t s LEU 140 Cb -0.02 -1.49 -0.01 0.00 0.50 0.00 0.00 46.19 45.18 2p5t s LEU 140 CO -0.00 -0.02 -0.20 0.00 -1.32 0.00 0.00 176.35 174.81 2p5t s ALA 141 N 1.28 2.34 0.01 5.97 0.00 -0.76 0.67 121.76 131.27 2p5t s ALA 141 Ca 0.04 -0.95 0.04 0.00 0.00 0.00 0.00 51.96 51.08 2p5t s ALA 141 Cb -0.14 -0.93 -0.01 0.00 0.00 0.00 0.00 23.12 22.04 2p5t s ALA 141 CO -0.12 0.30 -0.11 -0.51 0.00 0.00 0.00 175.76 175.32 2p5t s LEU 142 N 0.24 2.10 -0.03 0.00 1.43 -0.37 -2.29 118.68 119.77 2p5t s LEU 142 Ca -0.13 -0.31 0.07 0.00 -1.03 0.00 0.00 54.13 52.73 2p5t s LEU 142 Cb -0.17 -0.51 -0.02 0.00 0.03 0.00 0.00 46.19 45.53 2p5t s LEU 142 CO 0.07 0.06 -0.25 -0.51 0.23 0.00 0.00 176.35 175.95 2p5t s ILE 143 N -0.56 2.09 -0.02 -0.59 2.07 -1.08 -0.33 121.20 122.78 2p5t s ILE 143 Ca 0.02 -1.09 -0.02 0.00 -1.41 0.00 0.00 60.65 58.15 2p5t s ILE 143 Cb -0.06 -1.73 0.00 0.00 0.13 0.00 0.00 42.46 40.81 2p5t s ILE 143 CO 0.00 0.58 0.05 0.00 -1.91 0.00 0.00 174.94 173.66 2p5t s ALA 144 N -0.52 -0.11 0.18 1.50 0.00 -1.24 -4.04 121.76 117.53 2p5t s ALA 144 Ca 0.07 0.07 -0.09 0.00 0.00 0.00 0.00 51.96 52.02 2p5t s ALA 144 Cb -0.11 -0.06 -0.01 0.00 0.00 0.00 0.00 23.12 22.94 2p5t s ALA 144 CO 0.00 -0.04 0.30 0.99 0.00 0.00 0.00 175.76 177.01 2p5t s THR 145 N -0.15 0.05 -0.03 0.00 2.01 -1.26 -4.85 115.64 111.41 2p5t s THR 145 Ca -0.02 -1.44 -0.38 0.00 0.31 0.00 0.00 61.69 60.15 2p5t s THR 145 Cb -0.01 -1.95 -0.17 0.00 0.01 0.00 0.00 72.50 70.37 2p5t s THR 145 CO 0.00 -0.22 1.40 0.29 -0.69 0.00 0.00 174.62 175.39 2p5t n LYS 146 N -0.25 0.93 -0.30 4.92 4.76 -1.25 -4.71 118.16 122.27 2p5t n LYS 146 Ca -0.06 0.34 0.02 0.00 -2.87 0.00 0.00 58.31 55.74 2p5t n LYS 146 Cb 0.63 -1.96 0.07 0.00 -1.84 0.00 0.00 35.03 31.93 2p5t n LYS 146 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 2p5t n PRO 147 N 3.04 -0.14 -0.28 1.97 -0.02 -1.26 -0.60 135.00 137.72 2p5t n PRO 147 Ca 0.21 1.26 0.24 0.00 -2.02 0.00 0.00 63.50 63.19 2p5t n PRO 147 Cb 0.15 -1.88 0.57 0.00 -0.02 0.00 0.00 33.50 32.32 2p5t n PRO 147 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2p5t h GLU 148 N 0.00 0.29 0.02 -0.52 3.07 -1.96 -2.43 114.58 113.05 2p5t h GLU 148 Ca 0.33 -0.02 -0.15 0.00 -0.50 0.00 0.00 59.36 59.02 2p5t h GLU 148 Cb 0.54 -0.07 0.01 0.00 -0.84 0.00 0.00 28.75 28.39 2p5t h GLU 148 CO -0.82 0.19 -0.61 -0.07 -1.40 0.00 0.00 179.01 176.31 2p5t h LEU 149 N 0.30 0.50 0.20 1.33 3.38 -1.19 -2.74 115.31 117.08 2p5t h LEU 149 Ca 0.53 -0.79 0.01 0.00 0.09 0.00 0.00 57.88 57.71 2p5t h LEU 149 Cb 1.50 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 42.07 2p5t h LEU 149 CO -0.18 1.23 -0.26 0.28 0.09 0.00 0.00 178.44 179.60 2p5t h SER 150 N -0.18 -0.71 -0.35 -0.43 0.02 -1.24 0.21 113.55 110.87 2p5t h SER 150 Ca -0.08 0.07 0.06 0.00 -0.84 0.00 0.00 61.79 61.00 2p5t h SER 150 Cb 1.34 0.25 -0.05 0.00 0.14 0.00 0.00 62.40 64.08 2p5t h SER 150 CO 0.12 -0.36 0.01 0.22 -1.14 0.00 0.00 176.83 175.67 2p5t h TYR 151 N -0.52 -0.00 -0.32 3.45 3.20 -1.58 0.70 116.97 121.90 2p5t h TYR 151 Ca 0.01 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.95 2p5t h TYR 151 Cb 0.50 0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.79 2p5t h TYR 151 CO -0.20 -0.05 0.08 1.25 -1.64 0.00 0.00 178.16 177.60 2p5t h LEU 152 N 0.11 0.04 -0.33 2.82 5.85 -1.20 0.03 115.31 122.63 2p5t h LEU 152 Ca 0.17 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 2p5t h LEU 152 Cb 0.23 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 2p5t h LEU 152 CO -0.27 0.06 0.19 0.28 -0.34 0.00 0.00 178.44 178.36 2p5t h SER 153 N 0.20 0.39 -0.99 1.25 0.02 0.45 -1.68 113.55 113.19 2p5t h SER 153 Ca 0.15 -0.06 0.15 0.00 -0.84 0.00 0.00 61.79 61.20 2p5t h SER 153 Cb 0.15 -0.10 -0.10 0.00 0.14 0.00 0.00 62.40 62.50 2p5t h SER 153 CO -0.18 0.34 0.61 0.74 -1.14 0.00 0.00 176.83 177.19 2p5t h THR 154 N 0.42 0.81 -0.45 -2.27 2.02 0.95 0.28 112.91 114.66 2p5t h THR 154 Ca 0.12 -0.30 -0.13 0.00 0.77 0.00 0.00 66.41 66.87 2p5t h THR 154 Cb 0.02 -0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.28 2p5t h THR 154 CO -0.02 0.16 -0.24 -0.07 0.37 0.00 0.00 175.52 175.72 2p5t h LEU 155 N 0.87 0.97 -0.53 2.58 3.38 -0.58 -3.03 115.31 118.97 2p5t h LEU 155 Ca 0.53 -0.37 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 2p5t h LEU 155 Cb 0.69 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 2p5t h LEU 155 CO -0.33 1.15 0.05 0.40 0.09 0.00 0.00 178.44 179.80 2p5t h ILE 156 N 0.81 1.26 -0.82 1.22 1.08 -0.19 -2.72 117.51 118.15 2p5t h ILE 156 Ca 0.10 -1.02 0.13 0.00 -0.39 0.00 0.00 64.86 63.69 2p5t h ILE 156 Cb 0.80 0.88 -0.09 0.00 -3.07 0.00 0.00 36.82 35.34 2p5t h ILE 156 CO 0.07 0.36 0.41 -0.09 -0.69 0.00 0.00 178.15 178.21 2p5t h ARG 157 N 0.78 0.59 0.71 2.37 2.43 -0.98 -0.18 114.38 120.10 2p5t h ARG 157 Ca 0.16 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.26 2p5t h ARG 157 Cb 0.46 -0.13 0.01 0.00 -0.42 0.00 0.00 29.97 29.88 2p5t h ARG 157 CO 0.02 0.39 -0.34 -0.92 -1.51 0.00 0.00 179.97 177.61 2p5t h TYR 158 N 0.61 -0.88 0.00 2.20 -0.00 -1.37 -2.82 116.97 114.72 2p5t h TYR 158 Ca 0.44 -0.02 -0.06 0.00 -0.00 0.00 0.00 58.73 59.09 2p5t h TYR 158 Cb 0.59 0.29 -0.01 0.00 -0.00 0.00 0.00 36.73 37.60 2p5t h TYR 158 CO -0.10 -0.55 -0.28 0.93 -0.00 0.00 0.00 178.16 178.16 2p5t h GLU 159 N -0.96 0.00 -0.27 1.82 3.07 -1.34 -1.02 114.58 115.88 2p5t h GLU 159 Ca -0.10 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.70 2p5t h GLU 159 Cb 0.73 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.62 2p5t h GLU 159 CO 0.16 0.28 -0.09 0.93 -1.40 0.00 0.00 179.01 178.89 2p5t h GLU 160 N 0.00 0.43 0.00 2.33 4.39 -1.09 -2.29 114.58 118.35 2p5t h GLU 160 Ca -0.00 -0.11 -0.15 0.00 0.34 0.00 0.00 59.36 59.44 2p5t h GLU 160 Cb 0.52 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.09 2p5t h GLU 160 CO 0.04 0.53 -0.70 1.25 -1.16 0.00 0.00 179.01 178.97 2p5t h LEU 161 N 0.41 0.00 -1.99 1.33 5.85 -1.00 -3.31 115.31 116.60 2p5t h LEU 161 Ca 0.08 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.88 2p5t h LEU 161 Cb 0.42 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 2p5t h LEU 161 CO 0.02 0.70 0.20 0.22 -0.34 0.00 0.00 178.44 179.25 2p5t h TYR 162 N 0.00 0.02 -0.73 1.25 3.20 -0.62 0.41 116.97 120.50 2p5t h TYR 162 Ca -0.01 0.00 -0.40 0.00 3.14 0.00 0.00 58.73 61.47 2p5t h TYR 162 Cb 1.34 -0.01 -0.23 0.00 1.54 0.00 0.00 36.73 39.38 2p5t h TYR 162 CO 0.00 0.01 0.50 -0.89 -1.64 0.00 0.00 178.16 176.14 2p5t n ILE 163 N -4.46 2.69 0.08 1.81 5.41 -1.23 -4.23 119.36 119.43 2p5t n ILE 163 Ca 0.04 -1.51 0.00 0.00 1.00 0.00 0.00 62.75 62.28 2p5t n ILE 163 Cb 0.35 -0.68 0.00 0.00 -0.71 0.00 0.00 39.64 38.60 2p5t n ILE 163 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 2p5t n ILE 164 N -0.67 0.42 -3.13 1.39 5.41 0.13 -5.01 119.36 117.91 2p5t n ILE 164 Ca 0.44 0.14 -0.42 0.00 1.00 0.00 0.00 62.75 63.91 2p5t n ILE 164 Cb 1.29 -0.98 -0.07 0.00 -0.71 0.00 0.00 39.64 39.17 2p5t n ILE 164 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 176.55 176.75 2p5t s ASN 165 N -5.34 6.36 0.00 4.38 0.01 -0.41 -5.15 114.94 114.80 2p5t s ASN 165 Ca 0.00 -0.10 0.00 0.00 -0.71 0.00 0.00 52.86 52.05 2p5t s ASN 165 Cb 0.00 -2.32 0.00 0.00 0.41 0.00 0.00 41.25 39.34 2p5t s ASN 165 CO 0.00 -0.66 0.58 -2.65 -1.51 0.00 0.00 177.10 172.86 2p5t n PRO 166 N 6.11 0.00 0.00 -0.60 -0.02 -1.26 -4.48 135.00 134.74 2p5t n PRO 166 Ca -0.02 -0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.29 2p5t n PRO 166 Cb 0.48 -1.53 0.00 0.00 -0.02 0.00 0.00 33.50 32.43 2p5t n PRO 166 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2p5t n ASP 178 N 3.49 0.00 -0.04 2.55 9.92 -1.26 -4.93 116.55 126.29 2p5t n ASP 178 Ca 0.00 0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.25 2p5t n ASP 178 Cb 0.00 0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 40.48 2p5t n ASP 178 CO 0.00 0.00 0.00 -0.26 0.13 0.00 0.00 177.20 177.07 2p5t h PHE 179 N 0.00 0.00 0.00 1.24 0.04 -2.03 -3.42 116.94 112.78 2p5t h PHE 179 Ca 0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 2p5t h PHE 179 Cb 0.00 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.15 2p5t h PHE 179 CO 0.00 0.00 -0.03 0.82 -0.60 0.00 0.00 178.31 178.50 2p5t h ILE 180 N -0.67 0.73 -0.97 -0.55 2.04 -1.97 -3.24 117.51 112.88 2p5t h ILE 180 Ca 0.00 -0.13 0.17 0.00 1.00 0.00 0.00 64.86 65.91 2p5t h ILE 180 Cb 0.12 1.07 -0.09 0.00 -0.74 0.00 0.00 36.82 37.19 2p5t h ILE 180 CO 0.00 0.03 0.61 0.58 0.00 0.00 0.00 178.15 179.37 2p5t h VAL 181 N 0.00 0.76 0.00 1.67 2.07 -2.00 0.10 116.25 118.86 2p5t h VAL 181 Ca -0.00 -0.25 -0.11 0.00 0.82 0.00 0.00 66.70 67.16 2p5t h VAL 181 Cb 0.07 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 29.79 2p5t h VAL 181 CO 0.00 0.13 -1.16 0.78 0.02 0.00 0.00 177.57 177.35 2p5t h ASN 182 N 0.73 0.00 0.38 0.57 2.35 -1.87 -3.37 115.58 114.37 2p5t h ASN 182 Ca 0.52 0.00 -0.31 0.00 -0.55 0.00 0.00 56.30 55.96 2p5t h ASN 182 Cb 0.85 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.18 2p5t h ASN 182 CO -0.29 0.40 -1.79 1.41 -1.65 0.00 0.00 177.43 175.50 2p5t n HIS 183 N -2.88 1.09 0.13 1.19 8.25 -0.90 -4.51 115.22 117.59 2p5t n HIS 183 Ca -0.05 0.34 -0.13 0.00 -0.26 0.00 0.00 57.72 57.61 2p5t n HIS 183 Cb 0.74 -1.18 -0.06 0.00 1.12 0.00 0.00 29.99 30.61 2p5t n HIS 183 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2p5t h LEU 184 N 0.02 -0.63 -0.31 2.41 5.85 -0.97 0.29 115.31 121.97 2p5t h LEU 184 Ca -0.33 0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.52 2p5t h LEU 184 Cb 2.02 0.23 -0.06 0.00 0.37 0.00 0.00 40.66 43.22 2p5t h LEU 184 CO 0.08 -0.33 -0.05 0.58 -0.34 0.00 0.00 178.44 178.38 2p5t h VAL 185 N -0.45 0.71 -0.10 1.05 2.07 -1.81 -0.26 116.25 117.46 2p5t h VAL 185 Ca 0.01 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.53 2p5t h VAL 185 Cb 0.45 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 2p5t h VAL 185 CO -0.09 0.00 0.06 0.44 0.02 0.00 0.00 177.57 178.00 2p5t h ASP 186 N 0.03 0.11 -0.79 0.57 3.32 -1.71 -2.02 116.42 115.93 2p5t h ASP 186 Ca 0.15 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.14 2p5t h ASP 186 Cb 0.22 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 39.71 2p5t h ASP 186 CO -0.30 0.10 0.36 0.78 -1.72 0.00 0.00 179.24 178.46 2p5t h ASN 187 N 0.12 1.06 -0.54 6.45 2.35 -0.67 -2.27 115.58 122.06 2p5t h ASN 187 Ca 0.04 -0.15 -0.04 0.00 -0.55 0.00 0.00 56.30 55.60 2p5t h ASN 187 Cb 0.01 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.08 2p5t h ASN 187 CO -0.01 0.91 0.18 0.74 -1.65 0.00 0.00 177.43 177.61 2p5t h THR 188 N 1.13 1.23 -0.41 2.81 2.02 -0.92 -1.52 112.91 117.24 2p5t h THR 188 Ca 0.27 -0.76 -0.01 0.00 0.77 0.00 0.00 66.41 66.68 2p5t h THR 188 Cb 0.15 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 2p5t h THR 188 CO -0.03 0.29 0.23 -0.09 0.37 0.00 0.00 175.52 176.28 2p5t h ARG 189 N 0.75 0.58 -0.62 6.66 2.43 -1.19 -0.91 114.38 122.07 2p5t h ARG 189 Ca 0.18 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 2p5t h ARG 189 Cb 0.26 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 2p5t h ARG 189 CO -0.01 0.46 0.34 -0.22 -1.51 0.00 0.00 179.97 179.03 2p5t h LYS 190 N 0.54 0.86 -0.10 0.20 1.63 -1.19 0.12 116.57 118.63 2p5t h LYS 190 Ca 0.15 -0.10 -0.05 0.00 -0.85 0.00 0.00 60.65 59.80 2p5t h LYS 190 Cb 0.05 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 31.50 2p5t h LYS 190 CO -0.02 0.66 -0.14 -0.07 -3.45 0.00 0.00 179.45 176.42 2p5t h LEU 191 N 0.84 0.15 -0.34 5.20 3.38 -1.09 0.24 115.31 123.70 2p5t h LEU 191 Ca 0.22 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 58.03 2p5t h LEU 191 Cb 0.05 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2p5t h LEU 191 CO -0.03 0.32 -0.28 -0.33 0.09 0.00 0.00 178.44 178.20 2p5t h GLU 192 N 0.15 0.79 0.00 1.13 5.08 -0.54 -3.01 114.58 118.18 2p5t h GLU 192 Ca 0.03 -0.39 -0.05 0.00 -1.00 0.00 0.00 59.36 57.95 2p5t h GLU 192 Cb 0.36 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2p5t h GLU 192 CO 0.02 1.02 -0.23 0.93 -1.00 0.00 0.00 179.01 179.75 2p5t h GLU 193 N 0.57 0.00 -0.12 2.33 5.08 0.08 -2.23 114.58 120.28 2p5t h GLU 193 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2p5t h GLU 193 Cb 0.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.10 2p5t h GLU 193 CO 0.07 0.23 0.00 1.28 -1.00 0.00 0.00 179.01 179.60 2p5t n LEU 194 N -3.54 1.85 -3.83 1.33 4.77 -0.01 -4.95 117.00 112.62 2p5t n LEU 194 Ca -0.01 -0.71 -0.30 0.00 -0.03 0.00 0.00 56.01 54.96 2p5t n LEU 194 Cb 0.39 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 2p5t n LEU 194 CO 0.33 0.36 0.02 0.00 -1.33 0.00 0.00 177.39 176.77 2p5t n ALA 195 N 0.44 -1.20 -0.03 -1.18 0.00 -0.84 -4.90 120.51 112.81 2p5t n ALA 195 Ca 0.17 0.10 -0.13 0.00 0.00 0.00 0.00 53.44 53.59 2p5t n ALA 195 Cb 0.38 -3.67 -0.11 0.00 0.00 0.00 0.00 19.45 16.06 2p5t n ALA 195 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2p5t h ILE 196 N -1.55 1.44 -3.54 0.00 2.04 -1.79 -3.45 117.51 110.66 2p5t h ILE 196 Ca -0.54 -1.62 -0.52 0.00 1.00 0.00 0.00 64.86 63.18 2p5t h ILE 196 Cb 1.35 2.50 -0.03 0.00 -0.74 0.00 0.00 36.82 39.90 2p5t h ILE 196 CO 0.67 0.40 -0.04 -0.36 0.00 0.00 0.00 178.15 178.82 2p5t s PHE 197 N -3.27 3.41 -0.11 1.37 0.08 -1.26 -4.93 117.98 113.28 2p5t s PHE 197 Ca -0.16 1.01 0.14 0.00 0.12 0.00 0.00 56.93 58.04 2p5t s PHE 197 Cb -0.00 -2.37 -0.02 0.00 -0.57 0.00 0.00 43.02 40.06 2p5t s PHE 197 CO 0.64 0.21 1.30 1.49 -0.10 0.00 0.00 175.22 178.76 2p5t h GLU 198 N 2.48 0.00 -2.48 0.44 4.81 -1.55 -3.46 114.58 114.82 2p5t h GLU 198 Ca -0.47 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 58.68 2p5t h GLU 198 Cb 1.17 0.00 -0.26 0.00 0.63 0.00 0.00 28.75 30.29 2p5t h GLU 198 CO 0.68 0.54 -0.32 0.50 -0.73 0.00 0.00 179.01 179.67 2p5t s ARG 199 N -2.91 0.37 -0.16 1.92 3.52 -1.25 -4.89 118.95 115.55 2p5t s ARG 199 Ca 0.02 1.03 -0.06 0.00 -0.13 0.00 0.00 55.73 56.59 2p5t s ARG 199 Cb 0.08 0.31 -0.04 0.00 -1.56 0.00 0.00 34.95 33.74 2p5t s ARG 199 CO 0.77 -0.23 0.04 0.42 -0.81 0.00 0.00 175.30 175.49 2p5t s ILE 200 N 2.39 4.60 0.08 4.11 1.01 -1.26 -1.02 121.20 131.11 2p5t s ILE 200 Ca -0.04 -0.11 0.06 0.00 0.00 0.00 0.00 60.65 60.57 2p5t s ILE 200 Cb -0.11 -3.04 -0.03 0.00 0.01 0.00 0.00 42.46 39.28 2p5t s ILE 200 CO -0.13 0.49 -0.17 -1.10 0.00 0.00 0.00 174.94 174.02 2p5t s GLN 201 N 0.16 0.97 -0.07 2.79 -0.21 0.21 -0.89 119.66 122.63 2p5t s GLN 201 Ca 0.03 -1.03 0.01 0.00 0.02 0.00 0.00 55.36 54.39 2p5t s GLN 201 Cb -0.13 -1.09 0.02 0.00 1.00 0.00 0.00 33.01 32.82 2p5t s GLN 201 CO 0.01 0.25 -0.06 0.42 -2.12 0.00 0.00 175.29 173.79 2p5t s ILE 202 N -1.18 0.75 0.26 1.08 1.01 -0.47 -1.23 121.20 121.42 2p5t s ILE 202 Ca 0.02 -0.19 0.10 0.00 0.00 0.00 0.00 60.65 60.58 2p5t s ILE 202 Cb -0.10 -0.77 -0.05 0.00 0.01 0.00 0.00 42.46 41.56 2p5t s ILE 202 CO 0.03 0.29 -0.09 -0.31 0.00 0.00 0.00 174.94 174.87 2p5t s TYR 203 N 1.23 2.54 0.33 3.97 2.02 0.55 0.07 117.35 128.06 2p5t s TYR 203 Ca -0.05 -0.26 0.09 0.00 -0.37 0.00 0.00 57.07 56.47 2p5t s TYR 203 Cb -0.14 -1.13 -0.05 0.00 -0.40 0.00 0.00 41.96 40.24 2p5t s TYR 203 CO -0.02 0.64 0.06 -0.65 -1.57 0.00 0.00 175.55 174.01 2p5t s GLN 204 N -3.51 2.21 0.58 -0.62 -1.52 -0.90 -3.60 119.66 112.30 2p5t s GLN 204 Ca 0.30 -1.64 0.28 0.00 -1.95 0.00 0.00 55.36 52.35 2p5t s GLN 204 Cb -0.06 -2.05 1.54 0.00 -0.22 0.00 0.00 33.01 32.23 2p5t s GLN 204 CO 0.18 0.15 2.01 0.00 -0.25 0.00 0.00 175.29 177.38 2p5t h ARG 205 N 1.72 0.00 -0.60 2.91 -0.00 -1.88 0.22 114.38 116.75 2p5t h ARG 205 Ca -0.43 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.05 2p5t h ARG 205 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.22 2p5t h ARG 205 CO 0.65 0.00 0.00 -0.40 0.00 0.00 0.00 179.97 180.22 2p5t n ASP 206 N -3.88 2.48 0.00 7.04 5.68 -1.26 -4.89 116.55 121.72 2p5t n ASP 206 Ca 0.05 -2.23 0.00 0.00 -0.50 0.00 0.00 54.79 52.12 2p5t n ASP 206 Cb 0.49 -0.42 0.00 0.00 -1.14 0.00 0.00 41.12 40.05 2p5t n ASP 206 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2p5t n ARG 207 N 0.35 -0.57 -2.39 0.11 1.74 0.07 -4.99 116.66 110.98 2p5t n ARG 207 Ca 0.12 0.14 -0.41 0.00 -0.77 0.00 0.00 57.85 56.93 2p5t n ARG 207 Cb 0.49 -3.86 -0.03 0.00 -1.02 0.00 0.00 32.46 28.04 2p5t n ARG 207 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2p5t s SER 208 N -2.22 7.11 -0.37 0.55 1.04 -1.26 -4.83 113.70 113.72 2p5t s SER 208 Ca 0.00 2.22 -0.26 0.00 0.48 0.00 0.00 55.95 58.40 2p5t s SER 208 Cb 0.00 -2.61 0.02 0.00 0.10 0.00 0.00 66.02 63.53 2p5t s SER 208 CO 0.00 -0.35 0.93 0.00 0.98 0.00 0.00 173.24 174.80 2p5t h VAL 210 N 5.83 0.52 -2.84 0.00 2.07 -0.71 -3.47 116.25 117.65 2p5t h VAL 210 Ca -0.23 -1.84 -0.14 0.00 0.82 0.00 0.00 66.70 65.31 2p5t h VAL 210 Cb 1.08 2.10 -0.25 0.00 -1.52 0.00 0.00 31.29 32.69 2p5t h VAL 210 CO 0.98 0.29 -0.31 -0.47 0.02 0.00 0.00 177.57 178.09 2p5t s TYR 211 N -3.03 -0.43 -0.11 1.57 6.14 -1.14 -4.98 117.35 115.37 2p5t s TYR 211 Ca 0.01 1.01 -0.04 0.00 0.64 0.00 0.00 57.07 58.69 2p5t s TYR 211 Cb 0.08 0.15 0.05 0.00 0.42 0.00 0.00 41.96 42.66 2p5t s TYR 211 CO 0.77 -0.22 0.07 0.34 0.64 0.00 0.00 175.55 177.15 2p5t s ASP 212 N 0.50 1.84 0.38 4.32 -1.08 -1.26 -1.36 116.67 120.00 2p5t s ASP 212 Ca -0.02 -0.31 0.27 0.00 -0.52 0.00 0.00 52.55 51.96 2p5t s ASP 212 Cb -0.04 -0.22 1.33 0.00 -1.46 0.00 0.00 42.92 42.52 2p5t s ASP 212 CO -0.03 -0.30 1.82 0.77 0.52 0.00 0.00 175.17 177.95 2p5t h SER 213 N 8.42 0.00 -0.02 -0.34 4.64 -1.25 0.35 113.55 125.36 2p5t h SER 213 Ca -0.14 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.06 2p5t h SER 213 Cb 1.14 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.21 2p5t h SER 213 CO 0.23 0.00 -0.38 0.50 -0.87 0.00 0.00 176.83 176.31 2p5t h LYS 214 N 0.00 0.52 0.00 4.77 3.64 -1.90 -3.36 116.57 120.24 2p5t h LYS 214 Ca 0.00 -0.25 -0.26 0.00 -1.27 0.00 0.00 60.65 58.87 2p5t h LYS 214 Cb 0.15 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.92 2p5t h LYS 214 CO 0.00 0.82 -2.23 0.39 -2.27 0.00 0.00 179.45 176.16 2p5t n GLU 215 N -4.04 0.78 -4.51 1.90 -0.58 0.97 -4.94 120.64 110.21 2p5t n GLU 215 Ca -0.01 -0.06 -0.33 0.00 -0.42 0.00 0.00 57.16 56.33 2p5t n GLU 215 Cb 0.50 -1.50 -0.13 0.00 -0.57 0.00 0.00 31.44 29.73 2p5t n GLU 215 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 2p5t s ASN 216 N -5.12 4.35 0.45 1.62 -0.87 0.36 -4.97 114.94 110.76 2p5t s ASN 216 Ca -0.09 -0.26 0.25 0.00 -1.57 0.00 0.00 52.86 51.18 2p5t s ASN 216 Cb 0.08 -1.69 0.59 0.00 -0.02 0.00 0.00 41.25 40.20 2p5t s ASN 216 CO 0.82 0.14 1.69 0.74 -2.57 0.00 0.00 177.10 177.92 2p5t h THR 217 N 5.35 0.13 -3.53 1.60 2.02 -1.89 -3.41 112.91 113.19 2p5t h THR 217 Ca -0.30 -1.03 -0.57 0.00 0.77 0.00 0.00 66.41 65.28 2p5t h THR 217 Cb 1.20 1.92 0.16 0.00 -1.74 0.00 0.00 68.15 69.69 2p5t h THR 217 CO 0.59 0.07 0.09 0.35 0.37 0.00 0.00 175.52 176.99 2p5t n THR 218 N -3.13 3.59 -2.54 3.16 -2.24 -1.26 -4.98 114.28 106.87 2p5t n THR 218 Ca 0.03 -0.50 -0.39 0.00 -2.27 0.00 0.00 64.05 60.92 2p5t n THR 218 Cb 0.49 -1.12 -0.04 0.00 -2.10 0.00 0.00 70.33 67.56 2p5t n THR 218 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2p5t s SER 219 N -1.23 7.12 0.14 3.42 0.15 -1.26 -4.95 113.70 117.08 2p5t s SER 219 Ca 0.75 2.13 -0.14 0.00 0.70 0.00 0.00 55.95 59.39 2p5t s SER 219 Cb -0.42 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.29 2p5t s SER 219 CO 0.48 -0.24 1.62 0.00 1.20 0.00 0.00 173.24 176.30 2p5t h ALA 220 N 3.33 0.59 -0.97 5.45 0.00 -1.93 -2.98 119.26 122.75 2p5t h ALA 220 Ca -0.47 -0.22 0.18 0.00 0.00 0.00 0.00 54.91 54.40 2p5t h ALA 220 Cb 1.21 -0.17 -0.09 0.00 0.00 0.00 0.00 17.79 18.74 2p5t h ALA 220 CO 0.65 0.31 0.61 0.00 0.00 0.00 0.00 179.25 180.82 2p5t h ALA 221 N 0.95 1.85 0.00 0.00 0.00 -1.88 0.13 119.26 120.31 2p5t h ALA 221 Ca 0.14 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 2p5t h ALA 221 Cb 0.37 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2p5t h ALA 221 CO 0.01 -0.17 -0.34 -0.44 0.00 0.00 0.00 179.25 178.31 2p5t h ASP 222 N 0.67 0.00 0.21 0.00 3.32 -1.89 -0.06 116.42 118.67 2p5t h ASP 222 Ca 0.53 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 57.32 2p5t h ASP 222 Cb 0.94 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.50 2p5t h ASP 222 CO -0.29 0.34 -1.05 0.58 -1.72 0.00 0.00 179.24 177.10 2p5t h VAL 223 N 0.00 1.35 0.15 -1.35 2.07 -0.80 -2.86 116.25 114.80 2p5t h VAL 223 Ca -0.00 -2.43 -0.01 0.00 0.82 0.00 0.00 66.70 65.08 2p5t h VAL 223 Cb 0.66 2.49 0.00 0.00 -1.52 0.00 0.00 31.29 32.92 2p5t h VAL 223 CO 0.04 0.73 -0.07 -0.07 0.02 0.00 0.00 177.57 178.23 2p5t h LEU 224 N 0.28 -0.17 -0.95 2.57 3.38 -0.75 -1.73 115.31 117.94 2p5t h LEU 224 Ca -0.12 -0.13 0.19 0.00 0.09 0.00 0.00 57.88 57.91 2p5t h LEU 224 Cb 1.71 0.04 -0.18 0.00 0.09 0.00 0.00 40.66 42.32 2p5t h LEU 224 CO 0.19 0.03 -0.23 -0.61 0.09 0.00 0.00 178.44 177.91 2p5t h GLN 225 N -0.37 0.00 -0.53 1.13 5.75 -1.07 0.17 115.11 120.19 2p5t h GLN 225 Ca -0.02 -0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.47 2p5t h GLN 225 Cb 0.29 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.82 2p5t h GLN 225 CO 0.03 0.00 0.29 1.49 -2.65 0.00 0.00 178.83 177.99 2p5t h GLU 226 N 0.00 0.75 -0.32 1.69 4.57 -1.24 -1.40 114.58 118.63 2p5t h GLU 226 Ca 0.46 -0.09 -0.13 0.00 -1.18 0.00 0.00 59.36 58.42 2p5t h GLU 226 Cb 0.72 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.15 2p5t h GLU 226 CO -0.98 0.58 -0.32 -0.07 -1.18 0.00 0.00 179.01 177.05 2p5t h LEU 227 N 0.71 0.72 -0.02 1.64 3.38 -0.21 -0.83 115.31 120.70 2p5t h LEU 227 Ca 0.19 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 2p5t h LEU 227 Cb 0.06 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.61 2p5t h LEU 227 CO -0.03 0.98 -0.14 -0.26 0.09 0.00 0.00 178.44 179.08 2p5t h PHE 228 N 0.58 0.17 -0.00 1.13 0.04 -0.98 -3.33 116.94 114.56 2p5t h PHE 228 Ca 0.07 -0.08 0.00 0.00 2.80 0.00 0.00 57.97 60.75 2p5t h PHE 228 Cb 0.83 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.96 2p5t h PHE 228 CO 0.04 0.81 -0.24 1.19 -0.60 0.00 0.00 178.31 179.52 2p5t n PHE 229 N -4.61 0.00 -2.05 -0.55 3.72 -0.53 -4.64 117.46 108.80 2p5t n PHE 229 Ca -0.09 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.03 2p5t n PHE 229 Cb 0.42 0.00 0.12 0.00 -0.94 0.00 0.00 39.48 39.08 2p5t n PHE 229 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2p5t s GLY 230 N -1.38 1.70 0.06 1.37 0.00 -0.32 -4.98 107.32 103.78 2p5t s GLY 230 Ca 0.05 -1.03 -0.22 0.00 0.00 0.00 0.00 44.72 43.52 2p5t s GLY 230 CO 0.24 -0.44 0.52 -2.21 0.00 0.00 0.00 173.10 171.21 2p5t n GLU 231 N -3.36 0.00 -2.51 2.90 4.07 -1.26 -4.92 120.64 115.57 2p5t n GLU 231 Ca 0.11 0.00 -0.40 0.00 -0.06 0.00 0.00 57.16 56.82 2p5t n GLU 231 Cb 0.60 -0.81 -0.04 0.00 -0.06 0.00 0.00 31.44 31.12 2p5t n GLU 231 CO 0.00 0.00 0.00 -1.58 -0.06 0.00 0.00 177.13 175.49 2p5t s TRP 232 N -0.30 3.58 0.57 4.31 0.52 -1.26 -5.05 118.94 121.31 2p5t s TRP 232 Ca 0.50 1.71 -0.03 0.00 0.02 0.00 0.00 56.10 58.30 2p5t s TRP 232 Cb -0.71 -3.24 0.02 0.00 -1.15 0.00 0.00 33.47 28.38 2p5t s TRP 232 CO 0.36 -0.47 0.84 -1.54 0.02 0.00 0.00 176.95 176.17 2p5t s SER 233 N -0.98 5.50 0.31 2.95 1.04 -1.26 -4.96 113.70 116.30 2p5t s SER 233 Ca 0.46 0.47 0.04 0.00 0.48 0.00 0.00 55.95 57.40 2p5t s SER 233 Cb -0.30 -1.46 0.50 0.00 0.10 0.00 0.00 66.02 64.85 2p5t s SER 233 CO 0.39 -1.06 1.77 -0.61 0.98 0.00 0.00 173.24 174.71 2p5t h GLN 234 N -0.06 0.41 -0.60 4.02 5.75 -1.99 -1.83 115.11 120.81 2p5t h GLN 234 Ca -0.45 -0.14 -0.02 0.00 -0.15 0.00 0.00 58.65 57.89 2p5t h GLN 234 Cb 1.27 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 29.76 2p5t h GLN 234 CO 0.59 0.62 0.29 0.28 -2.65 0.00 0.00 178.83 177.95 2p5t h VAL 235 N 0.37 1.21 -0.12 2.39 2.07 -1.99 -2.47 116.25 117.71 2p5t h VAL 235 Ca 0.06 -0.60 -0.03 0.00 0.82 0.00 0.00 66.70 66.95 2p5t h VAL 235 Cb 0.60 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.87 2p5t h VAL 235 CO 0.04 0.24 -0.04 -0.33 0.02 0.00 0.00 177.57 177.50 2p5t h GLU 236 N 0.82 0.24 -0.17 1.57 5.08 -1.88 -2.24 114.58 118.00 2p5t h GLU 236 Ca 0.21 -0.10 0.05 0.00 -1.00 0.00 0.00 59.36 58.52 2p5t h GLU 236 Cb 0.12 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 2p5t h GLU 236 CO -0.03 0.56 0.13 0.87 -1.00 0.00 0.00 179.01 179.54 2p5t h LYS 237 N -0.09 0.00 -0.08 2.33 1.57 -1.33 0.35 116.57 119.33 2p5t h LYS 237 Ca 0.03 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.66 2p5t h LYS 237 Cb 0.48 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 2p5t h LYS 237 CO 0.01 0.00 -0.63 1.49 -0.57 0.00 0.00 179.45 179.76 2p5t h GLU 238 N 0.00 0.28 -0.08 3.15 4.81 -1.13 -1.68 114.58 119.92 2p5t h GLU 238 Ca 0.08 -0.20 -0.21 0.00 -0.13 0.00 0.00 59.36 58.90 2p5t h GLU 238 Cb 0.33 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.74 2p5t h GLU 238 CO -0.00 0.81 -0.80 0.52 -0.73 0.00 0.00 179.01 178.82 2p5t h MET 239 N 0.20 0.54 0.00 1.92 2.86 -0.45 -1.73 114.93 118.27 2p5t h MET 239 Ca -0.01 -0.47 0.00 0.00 -2.06 0.00 0.00 59.70 57.16 2p5t h MET 239 Cb 1.15 0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.91 2p5t h MET 239 CO 0.10 1.10 0.00 1.25 1.06 0.00 0.00 176.91 180.42 2p5t h LEU 240 N 0.35 0.00 0.00 1.22 5.85 -0.83 0.15 115.31 122.06 2p5t h LEU 240 Ca -0.05 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 2p5t h LEU 240 Cb 1.40 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.43 2p5t h LEU 240 CO 0.15 0.00 -0.00 1.56 -0.34 0.00 0.00 178.44 179.81 2p5t h GLN 241 N 0.00 -0.00 -0.43 1.25 4.20 -0.99 -2.68 115.11 116.46 2p5t h GLN 241 Ca 0.00 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.59 2p5t h GLN 241 Cb 0.30 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 2p5t h GLN 241 CO 0.00 0.98 -0.21 0.28 -0.67 0.00 0.00 178.83 179.21 2p5t h VAL 242 N -1.00 1.27 -0.35 -0.54 2.07 -1.05 -1.80 116.25 114.85 2p5t h VAL 242 Ca -0.00 -1.35 -0.05 0.00 0.82 0.00 0.00 66.70 66.12 2p5t h VAL 242 Cb 0.98 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 2p5t h VAL 242 CO 0.00 0.46 0.01 1.23 0.02 0.00 0.00 177.57 179.28 2p5t h GLY 243 N 0.94 0.67 0.95 2.17 0.00 -0.88 -2.53 103.07 104.39 2p5t h GLY 243 Ca 0.10 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 2p5t h GLY 243 CO 0.06 0.45 0.17 -2.09 0.00 0.00 0.00 176.54 175.13 2p5t h GLU 244 N 0.44 0.47 0.41 4.80 4.81 -1.36 -2.09 114.58 122.05 2p5t h GLU 244 Ca 0.10 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 2p5t h GLU 244 Cb 0.44 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.74 2p5t h GLU 244 CO 0.02 0.41 -0.20 0.87 -0.73 0.00 0.00 179.01 179.38 2p5t h LYS 245 N 0.41 -0.53 -0.03 1.92 1.57 -1.39 -2.16 116.57 116.36 2p5t h LYS 245 Ca 0.12 0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.94 2p5t h LYS 245 Cb 0.08 0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 2p5t h LYS 245 CO -0.02 -0.27 0.22 -0.09 -0.57 0.00 0.00 179.45 178.72 2p5t h ARG 246 N -0.71 0.00 0.13 3.15 9.65 -1.44 -1.04 114.38 124.12 2p5t h ARG 246 Ca -0.06 0.00 -0.34 0.00 -1.10 0.00 0.00 59.98 58.48 2p5t h ARG 246 Cb 0.51 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.07 2p5t h ARG 246 CO 0.09 0.00 -1.80 1.25 2.80 0.00 0.00 179.97 182.31 2p5t h LEU 247 N 0.00 0.42 -1.33 3.80 5.85 -1.07 -2.49 115.31 120.48 2p5t h LEU 247 Ca 0.01 -0.75 -0.07 0.00 0.84 0.00 0.00 57.88 57.91 2p5t h LEU 247 Cb 0.46 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 2p5t h LEU 247 CO -0.00 1.65 -0.33 0.78 -0.34 0.00 0.00 178.44 180.20 2p5t h ASN 248 N 0.07 0.00 0.24 1.25 2.35 -0.63 -2.50 115.58 116.35 2p5t h ASN 248 Ca -0.35 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.06 2p5t h ASN 248 Cb 2.05 0.00 0.03 0.00 0.05 0.00 0.00 38.32 40.45 2p5t h ASN 248 CO 0.13 0.33 -1.54 -0.33 -1.65 0.00 0.00 177.43 174.37 2p5t h GLU 249 N 0.00 0.50 0.00 0.81 5.08 -1.34 -3.27 114.58 116.37 2p5t h GLU 249 Ca -0.00 -0.86 0.00 0.00 -1.00 0.00 0.00 59.36 57.50 2p5t h GLU 249 Cb 0.59 0.32 0.00 0.00 0.50 0.00 0.00 28.75 30.16 2p5t h GLU 249 CO 0.04 1.41 0.00 1.25 -1.00 0.00 0.00 179.01 180.72 2p5t h LEU 250 N 0.12 0.00 -3.70 1.33 5.85 -1.45 -1.50 115.31 115.97 2p5t h LEU 250 Ca -0.28 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.26 2p5t h LEU 250 Cb 2.14 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 43.06 2p5t h LEU 250 CO 0.25 0.00 0.22 0.18 -0.34 0.00 0.00 178.44 178.75 2p5t n LEU 251 N -2.33 5.95 0.00 2.25 4.77 -0.95 -4.02 117.00 122.68 2p5t n LEU 251 Ca 0.04 -3.20 0.00 0.00 -0.03 0.00 0.00 56.01 52.82 2p5t n LEU 251 Cb 0.37 -0.73 0.00 0.00 -2.33 0.00 0.00 43.42 40.73 2p5t n LEU 251 CO 0.27 0.80 0.04 -0.62 -1.33 0.00 0.00 177.39 176.55 2p5t n GLU 252 N -0.10 0.00 0.00 3.23 1.02 -1.05 -5.02 120.64 118.72 2p5t n GLU 252 Ca 0.39 -0.08 0.08 0.00 -0.02 0.00 0.00 57.16 57.53 2p5t n GLU 252 Cb 1.35 -0.35 0.48 0.00 -0.02 0.00 0.00 31.44 32.90 2p5t n GLU 252 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94