#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rby s ARG 2 N 0.00 4.22 -0.08 0.00 0.52 -1.26 -1.61 118.95 120.74 1rby s ARG 2 Ca 0.00 0.33 0.04 0.00 -0.52 0.00 0.00 55.73 55.57 1rby s ARG 2 Cb 0.00 -3.52 -0.02 0.00 0.52 0.00 0.00 34.95 31.93 1rby s ARG 2 CO 0.00 -0.03 -0.18 0.08 0.02 0.00 0.00 175.30 175.18 1rby s VAL 3 N 1.27 2.63 -0.03 3.52 1.01 0.54 -0.01 120.40 129.33 1rby s VAL 3 Ca 0.22 -0.85 -0.03 0.00 0.00 0.00 0.00 61.98 61.32 1rby s VAL 3 Cb -0.15 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 1rby s VAL 3 CO 0.09 0.56 0.13 0.00 0.00 0.00 0.00 175.10 175.88 1rby s ALA 4 N -0.18 3.78 -0.14 5.51 0.00 -0.39 -0.48 121.76 129.86 1rby s ALA 4 Ca -0.02 -0.78 0.02 0.00 0.00 0.00 0.00 51.96 51.19 1rby s ALA 4 Cb -0.14 -1.78 0.01 0.00 0.00 0.00 0.00 23.12 21.22 1rby s ALA 4 CO 0.03 0.69 -0.20 0.08 0.00 0.00 0.00 175.76 176.37 1rby s VAL 5 N -1.20 1.89 -0.13 0.00 1.01 -0.79 -0.69 120.40 120.50 1rby s VAL 5 Ca 0.22 -0.87 -0.07 0.00 0.00 0.00 0.00 61.98 61.27 1rby s VAL 5 Cb -0.12 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 1rby s VAL 5 CO 0.13 0.52 0.12 -0.76 0.00 0.00 0.00 175.10 175.11 1rby s LEU 6 N 0.97 4.26 0.18 3.92 1.43 -0.37 -1.02 118.68 128.05 1rby s LEU 6 Ca -0.05 0.39 -0.02 0.00 -1.03 0.00 0.00 54.13 53.42 1rby s LEU 6 Cb -0.15 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 43.99 1rby s LEU 6 CO -0.04 0.36 0.14 0.27 0.23 0.00 0.00 176.35 177.31 1rby s ILE 7 N -0.75 0.03 0.00 -0.59 -4.36 -0.34 -0.72 121.20 114.47 1rby s ILE 7 Ca 0.13 -1.91 0.00 0.00 -0.26 0.00 0.00 60.65 58.61 1rby s ILE 7 Cb -0.12 -2.33 0.00 0.00 1.25 0.00 0.00 42.46 41.26 1rby s ILE 7 CO 0.03 -0.14 0.06 -1.20 0.24 0.00 0.00 174.94 173.93 1rby n SER 8 N -0.23 0.11 0.00 4.36 7.64 -1.08 -3.20 113.62 121.23 1rby n SER 8 Ca -0.01 -0.97 0.00 0.00 1.01 0.00 0.00 58.87 58.90 1rby n SER 8 Cb 0.65 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.85 1rby n SER 8 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rby n GLY 9 N 0.00 3.89 0.21 0.23 0.00 -1.26 -4.78 105.19 103.48 1rby n GLY 9 Ca 0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 46.02 45.75 1rby n GLY 9 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1rby h THR 10 N 0.00 0.49 0.00 2.61 2.02 -1.93 -1.14 112.91 114.96 1rby h THR 10 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1rby h THR 10 Cb 0.00 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 66.86 1rby h THR 10 CO 0.00 0.01 0.00 0.61 0.37 0.00 0.00 175.52 176.51 1rby n GLY 11 N -1.37 0.53 0.33 2.16 0.00 -1.26 -1.93 105.19 103.65 1rby n GLY 11 Ca 0.06 -0.85 0.01 0.00 0.00 0.00 0.00 46.02 45.24 1rby n GLY 11 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1rby h SER 12 N 0.00 0.76 -0.30 1.61 4.64 -1.92 -1.60 113.55 116.74 1rby h SER 12 Ca 0.00 -0.04 -0.05 0.00 -0.47 0.00 0.00 61.79 61.23 1rby h SER 12 Cb 0.58 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 1rby h SER 12 CO 0.00 0.59 -0.02 0.78 -0.87 0.00 0.00 176.83 177.31 1rby h ASN 13 N 0.89 0.54 -0.80 4.97 2.35 -1.93 -2.79 115.58 118.80 1rby h ASN 13 Ca 0.23 -0.33 0.19 0.00 -0.55 0.00 0.00 56.30 55.85 1rby h ASN 13 Cb -0.04 -0.14 -0.13 0.00 0.05 0.00 0.00 38.32 38.05 1rby h ASN 13 CO -0.04 0.73 0.10 0.25 -1.65 0.00 0.00 177.43 176.82 1rby h LEU 14 N 0.33 -0.20 -0.53 1.61 6.46 -1.75 -0.98 115.31 120.24 1rby h LEU 14 Ca 0.08 0.19 -0.03 0.00 -0.12 0.00 0.00 57.88 58.00 1rby h LEU 14 Cb 0.47 0.31 -0.02 0.00 -0.73 0.00 0.00 40.66 40.68 1rby h LEU 14 CO 0.02 -0.16 0.22 -0.61 -0.62 0.00 0.00 178.44 177.29 1rby h GLN 15 N 0.16 0.79 -0.72 1.25 5.75 -1.08 0.44 115.11 121.70 1rby h GLN 15 Ca 0.46 -0.14 -0.06 0.00 -0.15 0.00 0.00 58.65 58.76 1rby h GLN 15 Cb 0.85 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 29.24 1rby h GLN 15 CO -0.65 0.69 0.22 0.00 -2.65 0.00 0.00 178.83 176.43 1rby h ALA 16 N 1.06 1.03 -0.39 3.38 0.00 -1.15 -1.63 119.26 121.55 1rby h ALA 16 Ca 0.18 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1rby h ALA 16 Cb 0.19 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1rby h ALA 16 CO -0.02 0.65 0.18 -0.07 0.00 0.00 0.00 179.25 179.99 1rby h LEU 17 N 1.07 0.52 0.16 0.00 3.38 -0.71 -1.51 115.31 118.23 1rby h LEU 17 Ca 0.23 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 58.07 1rby h LEU 17 Cb 0.31 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1rby h LEU 17 CO -0.01 0.52 -0.22 0.40 0.09 0.00 0.00 178.44 179.22 1rby h ILE 18 N 0.49 0.52 -0.63 1.22 2.04 -0.62 -0.96 117.51 119.57 1rby h ILE 18 Ca 0.13 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.02 1rby h ILE 18 Cb 0.14 0.52 -0.04 0.00 -0.74 0.00 0.00 36.82 36.70 1rby h ILE 18 CO -0.02 0.00 0.39 0.44 0.00 0.00 0.00 178.15 178.97 1rby h ASP 19 N -0.43 0.64 -0.69 1.72 3.32 -1.26 -2.76 116.42 116.96 1rby h ASP 19 Ca 0.01 -0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.00 1rby h ASP 19 Cb 0.43 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.81 1rby h ASP 19 CO -0.09 0.45 0.19 -1.28 -1.72 0.00 0.00 179.24 176.79 1rby h SER 20 N 0.77 1.04 0.66 6.45 0.87 -1.10 -2.78 113.55 119.46 1rby h SER 20 Ca 0.25 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1rby h SER 20 Cb 0.01 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 61.70 1rby h SER 20 CO -0.10 0.99 0.00 0.35 -0.53 0.00 0.00 176.83 177.54 1rby n THR 21 N -4.27 0.82 0.26 2.23 -2.24 -0.38 -2.37 114.28 108.32 1rby n THR 21 Ca 0.05 0.19 0.10 0.00 -2.27 0.00 0.00 64.05 62.12 1rby n THR 21 Cb 0.24 -0.96 0.18 0.00 -2.10 0.00 0.00 70.33 67.70 1rby n THR 21 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1rby n ARG 22 N -1.72 2.31 -2.17 -0.78 1.74 -1.06 -4.73 116.66 110.24 1rby n ARG 22 Ca 0.04 -2.12 -0.33 0.00 -0.77 0.00 0.00 57.85 54.67 1rby n ARG 22 Cb 0.22 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 1rby n ARG 22 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1rby s GLU 23 N -1.35 3.40 0.61 5.56 0.41 -1.00 -5.01 118.70 121.31 1rby s GLU 23 Ca 0.33 1.30 -0.18 0.00 -0.41 0.00 0.00 54.97 56.01 1rby s GLU 23 Cb 0.20 -2.04 -0.03 0.00 -1.78 0.00 0.00 34.13 30.48 1rby s GLU 23 CO 0.27 -0.76 1.21 -1.25 -0.49 0.00 0.00 175.26 174.25 1rby s PRO 24 N -3.78 2.88 -1.13 0.39 0.04 -1.26 -2.99 135.00 129.16 1rby s PRO 24 Ca 0.66 1.83 0.00 0.00 0.04 0.00 0.00 61.00 63.53 1rby s PRO 24 Cb -0.17 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.45 1rby s PRO 24 CO 0.32 -1.28 0.00 0.09 0.04 0.00 0.00 177.00 176.17 1rby n ASN 25 N -1.70 -4.52 -4.77 6.66 5.03 -1.26 -5.00 115.26 109.70 1rby n ASN 25 Ca 0.14 0.26 -0.41 0.00 0.87 0.00 0.00 54.58 55.44 1rby n ASN 25 Cb 0.50 -2.96 -0.03 0.00 -1.02 0.00 0.00 39.78 36.27 1rby n ASN 25 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1rby s SER 26 N -2.75 6.87 0.00 6.41 0.15 -1.16 -4.94 113.70 118.29 1rby s SER 26 Ca 0.00 2.60 0.22 0.00 0.70 0.00 0.00 55.95 59.47 1rby s SER 26 Cb 0.00 -2.64 0.53 0.00 -1.71 0.00 0.00 66.02 62.20 1rby s SER 26 CO 0.00 -0.46 1.45 -1.20 1.20 0.00 0.00 173.24 174.23 1rby n SER 27 N 0.91 2.77 -4.07 5.45 7.64 -1.26 -4.94 113.62 120.12 1rby n SER 27 Ca -0.00 -1.89 -0.13 0.00 1.01 0.00 0.00 58.87 57.85 1rby n SER 27 Cb 0.42 -0.19 -0.11 0.00 -1.01 0.00 0.00 64.21 63.32 1rby n SER 27 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rby s ALA 28 N -1.61 0.63 -0.02 -0.43 0.00 -1.26 0.71 121.76 119.77 1rby s ALA 28 Ca 0.36 -0.80 0.03 0.00 0.00 0.00 0.00 51.96 51.55 1rby s ALA 28 Cb 0.21 0.04 -0.00 0.00 0.00 0.00 0.00 23.12 23.36 1rby s ALA 28 CO 0.29 -0.01 -0.09 1.14 0.00 0.00 0.00 175.76 177.09 1rby s GLN 29 N -1.64 0.90 -0.29 0.00 -2.07 -0.63 -4.72 119.66 111.21 1rby s GLN 29 Ca -0.09 -0.33 -0.25 0.00 -1.82 0.00 0.00 55.36 52.87 1rby s GLN 29 Cb -0.10 -0.85 0.00 0.00 -1.09 0.00 0.00 33.01 30.97 1rby s GLN 29 CO 0.00 0.16 0.87 0.42 -1.32 0.00 0.00 175.29 175.42 1rby s ILE 30 N 0.01 4.74 -0.03 3.63 1.01 -1.26 -0.34 121.20 128.96 1rby s ILE 30 Ca -0.00 1.43 0.15 0.00 0.00 0.00 0.00 60.65 62.23 1rby s ILE 30 Cb -0.07 -4.20 -0.24 0.00 0.01 0.00 0.00 42.46 37.97 1rby s ILE 30 CO 0.00 -0.25 0.32 0.47 0.00 0.00 0.00 174.94 175.48 1rby n ASP 31 N 6.29 1.45 -3.69 3.58 8.00 0.37 -4.92 116.55 127.63 1rby n ASP 31 Ca 0.06 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.42 1rby n ASP 31 Cb 0.48 1.66 -0.08 0.00 -0.02 0.00 0.00 41.12 43.15 1rby n ASP 31 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1rby s ILE 32 N -3.03 0.02 -0.14 0.53 1.10 -1.21 -4.28 121.20 114.20 1rby s ILE 32 Ca -0.06 -0.20 0.01 0.00 -0.51 0.00 0.00 60.65 59.89 1rby s ILE 32 Cb 0.10 -0.72 0.02 0.00 0.15 0.00 0.00 42.46 42.01 1rby s ILE 32 CO 0.64 -0.11 -0.17 -0.69 -2.11 0.00 0.00 174.94 172.51 1rby s VAL 33 N -0.74 1.69 -0.13 4.00 1.01 -0.86 -1.88 120.40 123.48 1rby s VAL 33 Ca -0.08 -0.73 -0.01 0.00 0.00 0.00 0.00 61.98 61.15 1rby s VAL 33 Cb -0.03 -1.54 -0.02 0.00 0.00 0.00 0.00 36.38 34.78 1rby s VAL 33 CO 0.04 0.48 -0.10 -0.63 0.00 0.00 0.00 175.10 174.89 1rby s ILE 34 N 1.16 3.37 0.03 2.22 1.01 -0.19 -1.41 121.20 127.40 1rby s ILE 34 Ca -0.01 -0.55 0.07 0.00 0.00 0.00 0.00 60.65 60.15 1rby s ILE 34 Cb -0.14 -2.43 -0.03 0.00 0.01 0.00 0.00 42.46 39.86 1rby s ILE 34 CO -0.06 0.52 -0.18 -0.55 0.00 0.00 0.00 174.94 174.67 1rby s SER 35 N 0.25 3.81 0.00 3.58 0.15 0.08 -1.20 113.70 120.37 1rby s SER 35 Ca -0.07 -0.40 0.29 0.00 0.70 0.00 0.00 55.95 56.47 1rby s SER 35 Cb -0.15 -0.63 1.23 0.00 -1.71 0.00 0.00 66.02 64.76 1rby s SER 35 CO 0.04 0.27 1.85 -0.46 1.20 0.00 0.00 173.24 176.14 1rby n ASN 36 N 1.64 0.93 -3.93 5.45 0.23 -1.19 -0.19 115.26 118.20 1rby n ASN 36 Ca -0.16 -1.15 -0.17 0.00 -0.53 0.00 0.00 54.58 52.56 1rby n ASN 36 Cb 0.52 0.00 -0.15 0.00 -2.08 0.00 0.00 39.78 38.07 1rby n ASN 36 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1rby s LYS 37 N -2.15 0.56 0.61 -3.83 1.02 -1.26 -3.66 119.74 111.03 1rby s LYS 37 Ca 0.37 -0.14 -0.15 0.00 0.02 0.00 0.00 55.97 56.06 1rby s LYS 37 Cb 0.21 -0.57 -0.03 0.00 -0.52 0.00 0.00 37.83 36.92 1rby s LYS 37 CO 0.39 0.03 1.07 0.00 -0.92 0.00 0.00 175.35 175.92 1rby s ALA 38 N 0.31 2.68 -1.52 5.17 0.00 -1.26 -4.25 121.76 122.89 1rby s ALA 38 Ca -0.03 0.40 -0.03 0.00 0.00 0.00 0.00 51.96 52.29 1rby s ALA 38 Cb -0.07 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.81 1rby s ALA 38 CO -0.00 -0.93 0.45 0.00 0.00 0.00 0.00 175.76 175.28 1rby n ALA 39 N -2.19 -0.84 -2.83 0.00 0.00 -1.26 -4.99 120.51 108.40 1rby n ALA 39 Ca 0.09 0.25 -0.31 0.00 0.00 0.00 0.00 53.44 53.47 1rby n ALA 39 Cb 0.53 -3.37 -0.04 0.00 0.00 0.00 0.00 19.45 16.57 1rby n ALA 39 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1rby s VAL 40 N -3.11 5.31 0.49 0.00 -7.23 -1.26 -5.00 120.40 109.60 1rby s VAL 40 Ca 0.22 -0.22 0.21 0.00 -1.81 0.00 0.00 61.98 60.39 1rby s VAL 40 Cb -0.10 -3.62 0.27 0.00 0.56 0.00 0.00 36.38 33.48 1rby s VAL 40 CO 0.28 0.12 2.11 0.00 -0.31 0.00 0.00 175.10 177.29 1rby h ALA 41 N 3.04 1.63 -0.54 1.32 0.00 -1.78 -2.48 119.26 120.45 1rby h ALA 41 Ca -0.46 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.42 1rby h ALA 41 Cb 1.16 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 1rby h ALA 41 CO 0.74 0.11 0.36 0.78 0.00 0.00 0.00 179.25 181.24 1rby h GLY 42 N 0.36 0.66 0.97 0.00 0.00 -0.51 -2.21 103.07 102.35 1rby h GLY 42 Ca -0.00 -0.22 -0.06 0.00 0.00 0.00 0.00 47.33 47.05 1rby h GLY 42 CO 0.01 0.18 0.06 1.41 0.00 0.00 0.00 176.54 178.19 1rby h LEU 43 N 0.55 0.75 -0.56 3.11 3.38 -1.70 -1.39 115.31 119.45 1rby h LEU 43 Ca 0.23 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1rby h LEU 43 Cb 0.22 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1rby h LEU 43 CO -0.06 0.84 0.21 0.44 0.09 0.00 0.00 178.44 179.95 1rby h ASP 44 N 0.64 0.79 -0.58 -0.43 3.32 -1.58 -1.45 116.42 117.12 1rby h ASP 44 Ca 0.14 -0.18 0.04 0.00 0.02 0.00 0.00 57.03 57.04 1rby h ASP 44 Cb 0.42 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.72 1rby h ASP 44 CO 0.01 0.76 0.33 0.11 -1.72 0.00 0.00 179.24 178.74 1rby h LYS 45 N 0.78 0.63 -0.45 3.56 1.57 -1.26 0.66 116.57 122.06 1rby h LYS 45 Ca 0.19 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 1rby h LYS 45 Cb 0.23 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1rby h LYS 45 CO -0.01 0.42 0.23 0.00 -0.57 0.00 0.00 179.45 179.51 1rby h ALA 46 N 1.28 0.58 -0.18 3.86 0.00 -1.03 -2.48 119.26 121.28 1rby h ALA 46 Ca 0.25 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 1rby h ALA 46 Cb 0.09 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1rby h ALA 46 CO -0.13 0.12 -0.42 0.93 0.00 0.00 0.00 179.25 179.75 1rby h GLU 47 N 0.59 0.43 0.00 0.00 5.08 -0.90 -1.25 114.58 118.53 1rby h GLU 47 Ca 0.16 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1rby h GLU 47 Cb 0.09 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 1rby h GLU 47 CO -0.02 0.78 -0.10 0.00 -1.00 0.00 0.00 179.01 178.66 1rby h ARG 48 N 0.36 0.00 -0.01 2.33 3.08 -0.76 -2.19 114.38 117.19 1rby h ARG 48 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1rby h ARG 48 Cb 0.89 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.94 1rby h ARG 48 CO 0.07 0.10 -0.21 0.00 -1.07 0.00 0.00 179.97 178.86 1rby n ALA 49 N -2.18 2.98 -1.06 0.04 0.00 -0.94 -4.94 120.51 114.41 1rby n ALA 49 Ca -0.01 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.06 1rby n ALA 49 Cb 0.31 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1rby n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rby n GLY 50 N 1.32 0.47 3.62 0.00 0.00 -0.82 -5.06 105.19 104.72 1rby n GLY 50 Ca 0.13 -0.94 -0.34 0.00 0.00 0.00 0.00 46.02 44.86 1rby n GLY 50 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rby s ILE 51 N -2.00 4.62 0.66 -0.61 1.01 -0.52 -5.02 121.20 119.34 1rby s ILE 51 Ca 0.00 -0.10 -0.17 0.00 0.00 0.00 0.00 60.65 60.38 1rby s ILE 51 Cb 0.00 -3.06 0.00 0.00 0.01 0.00 0.00 42.46 39.41 1rby s ILE 51 CO 0.00 0.48 1.20 -2.84 0.00 0.00 0.00 174.94 173.79 1rby s PRO 52 N 0.24 2.56 0.09 2.79 0.02 -1.26 -3.88 135.00 135.56 1rby s PRO 52 Ca 0.03 1.77 0.05 0.00 0.02 0.00 0.00 61.00 62.86 1rby s PRO 52 Cb -0.13 -1.88 -0.03 0.00 0.02 0.00 0.00 34.50 32.48 1rby s PRO 52 CO 0.01 -1.51 -0.12 0.95 -0.33 0.00 0.00 177.00 175.99 1rby s THR 53 N -1.82 1.05 0.06 0.99 -4.23 -1.26 -2.03 115.64 108.40 1rby s THR 53 Ca 0.75 -1.48 0.04 0.00 -1.18 0.00 0.00 61.69 59.82 1rby s THR 53 Cb -0.29 -1.22 -0.03 0.00 1.34 0.00 0.00 72.50 72.30 1rby s THR 53 CO 0.40 -0.39 -0.11 -0.13 -0.54 0.00 0.00 174.62 173.85 1rby s ARG 54 N -2.25 0.68 -0.25 3.99 1.81 -0.50 -4.96 118.95 117.47 1rby s ARG 54 Ca 0.02 -0.87 -0.03 0.00 -1.72 0.00 0.00 55.73 53.13 1rby s ARG 54 Cb -0.07 -0.56 0.02 0.00 -0.45 0.00 0.00 34.95 33.89 1rby s ARG 54 CO 0.02 0.12 -0.02 0.08 -0.68 0.00 0.00 175.30 174.81 1rby s VAL 55 N -1.37 3.22 -0.43 3.52 1.01 -1.26 -0.74 120.40 124.35 1rby s VAL 55 Ca -0.05 -0.84 -0.01 0.00 0.00 0.00 0.00 61.98 61.07 1rby s VAL 55 Cb -0.10 -2.61 0.12 0.00 0.00 0.00 0.00 36.38 33.79 1rby s VAL 55 CO 0.01 0.21 0.21 -0.63 0.00 0.00 0.00 175.10 174.91 1rby s ILE 56 N 1.40 3.07 -0.36 2.22 1.01 0.74 -4.97 121.20 124.30 1rby s ILE 56 Ca 0.02 -2.36 -0.29 0.00 0.00 0.00 0.00 60.65 58.02 1rby s ILE 56 Cb -0.16 -3.12 -0.01 0.00 0.01 0.00 0.00 42.46 39.18 1rby s ILE 56 CO -0.03 -0.71 1.60 0.21 0.00 0.00 0.00 174.94 176.02 1rby s ASN 57 N 1.28 6.14 0.56 3.58 3.84 -1.26 -4.00 114.94 125.08 1rby s ASN 57 Ca 0.11 1.10 0.25 0.00 0.21 0.00 0.00 52.86 54.53 1rby s ASN 57 Cb -0.22 -2.53 1.61 0.00 -0.55 0.00 0.00 41.25 39.56 1rby s ASN 57 CO -0.05 -1.54 2.20 1.12 -2.79 0.00 0.00 177.10 176.04 1rby h HIS 58 N 11.68 0.00 0.00 0.43 2.07 -1.94 -2.15 115.15 125.24 1rby h HIS 58 Ca -0.31 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.21 1rby h HIS 58 Cb 1.14 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.12 1rby h HIS 58 CO 0.96 0.02 0.00 1.63 -3.07 0.00 0.00 177.93 177.47 1rby n LYS 59 N -4.03 0.07 -0.30 5.12 5.02 -1.26 -2.75 118.16 120.02 1rby n LYS 59 Ca -0.03 0.31 0.08 0.00 -2.02 0.00 0.00 58.31 56.66 1rby n LYS 59 Cb 0.11 -1.63 0.24 0.00 -0.02 0.00 0.00 35.03 33.73 1rby n LYS 59 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1rby n LEU 60 N -1.75 2.98 -4.35 -0.35 4.77 -0.81 -4.88 117.00 112.61 1rby n LEU 60 Ca 0.03 -1.49 -0.30 0.00 -0.03 0.00 0.00 56.01 54.22 1rby n LEU 60 Cb 0.19 -0.38 -0.14 0.00 -2.33 0.00 0.00 43.42 40.75 1rby n LEU 60 CO 0.15 0.70 -0.57 -0.31 -1.33 0.00 0.00 177.39 176.04 1rby s TYR 61 N -1.36 2.30 0.26 -1.77 1.51 -1.11 -5.04 117.35 112.14 1rby s TYR 61 Ca 0.36 -0.40 0.03 0.00 -1.01 0.00 0.00 57.07 56.05 1rby s TYR 61 Cb 0.19 -1.34 0.32 0.00 -0.11 0.00 0.00 41.96 41.03 1rby s TYR 61 CO 0.23 0.18 1.63 0.87 -1.11 0.00 0.00 175.55 177.36 1rby h LYS 62 N 4.55 0.36 -3.93 -0.62 1.57 -1.89 -3.47 116.57 113.14 1rby h LYS 62 Ca -0.48 -0.19 -0.21 0.00 -1.87 0.00 0.00 60.65 57.90 1rby h LYS 62 Cb 1.15 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 33.39 1rby h LYS 62 CO 0.42 0.74 -0.14 0.54 -0.57 0.00 0.00 179.45 180.45 1rby s ASN 63 N -6.87 0.64 0.20 0.86 2.20 -1.26 -5.07 114.94 105.63 1rby s ASN 63 Ca -0.06 -1.36 -0.06 0.00 -0.94 0.00 0.00 52.86 50.44 1rby s ASN 63 Cb 0.13 0.67 0.13 0.00 -2.00 0.00 0.00 41.25 40.17 1rby s ASN 63 CO 0.80 -1.31 1.62 0.03 -2.94 0.00 0.00 177.10 175.30 1rby h ARG 64 N 2.13 0.88 -0.68 3.55 3.08 -1.96 -2.89 114.38 118.49 1rby h ARG 64 Ca -0.29 -0.34 -0.03 0.00 0.07 0.00 0.00 59.98 59.39 1rby h ARG 64 Cb 1.24 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.22 1rby h ARG 64 CO 0.39 0.99 0.30 0.28 -1.07 0.00 0.00 179.97 180.85 1rby h VAL 65 N 0.77 1.24 -0.31 2.04 2.07 -1.97 0.13 116.25 120.21 1rby h VAL 65 Ca 0.11 -0.71 -0.04 0.00 0.82 0.00 0.00 66.70 66.88 1rby h VAL 65 Cb 0.71 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1rby h VAL 65 CO 0.05 0.29 0.03 -0.33 0.02 0.00 0.00 177.57 177.63 1rby h GLU 66 N 0.95 0.54 -0.13 1.57 5.08 -1.99 0.81 114.58 121.41 1rby h GLU 66 Ca 0.23 -0.16 0.02 0.00 -1.00 0.00 0.00 59.36 58.45 1rby h GLU 66 Cb 0.17 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1rby h GLU 66 CO -0.02 0.65 -0.01 0.35 -1.00 0.00 0.00 179.01 178.98 1rby h PHE 67 N 0.35 -0.03 -0.62 4.33 3.57 -1.30 -2.14 116.94 121.11 1rby h PHE 67 Ca 0.09 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.61 1rby h PHE 67 Cb 0.39 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.13 1rby h PHE 67 CO 0.03 -0.03 0.40 -0.44 -2.23 0.00 0.00 178.31 176.04 1rby h ASP 68 N 0.03 0.71 -0.46 0.41 3.32 -0.58 -2.14 116.42 117.70 1rby h ASP 68 Ca 0.06 -0.02 -0.11 0.00 0.02 0.00 0.00 57.03 56.98 1rby h ASP 68 Cb 0.08 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 1rby h ASP 68 CO -0.11 0.52 -0.13 0.28 -1.72 0.00 0.00 179.24 178.07 1rby h SER 69 N 0.84 0.95 -0.64 6.45 0.02 -0.62 -0.00 113.55 120.54 1rby h SER 69 Ca 0.23 -0.32 0.02 0.00 -0.84 0.00 0.00 61.79 60.88 1rby h SER 69 Cb -0.09 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.16 1rby h SER 69 CO -0.05 1.08 0.41 0.00 -1.14 0.00 0.00 176.83 177.13 1rby h ALA 70 N 1.00 0.83 0.03 3.77 0.00 -0.83 0.35 119.26 124.42 1rby h ALA 70 Ca 0.13 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1rby h ALA 70 Cb 0.68 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1rby h ALA 70 CO 0.05 0.18 -0.08 0.82 0.00 0.00 0.00 179.25 180.22 1rby h ILE 71 N 0.81 0.81 -1.00 0.00 2.04 -1.19 -2.95 117.51 116.02 1rby h ILE 71 Ca 0.25 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.20 1rby h ILE 71 Cb -0.02 0.81 -0.07 0.00 -0.74 0.00 0.00 36.82 36.80 1rby h ILE 71 CO -0.09 0.00 0.64 -0.78 0.00 0.00 0.00 178.15 177.93 1rby h ASP 72 N -0.15 1.00 -0.45 1.72 3.58 -0.40 -0.76 116.42 120.95 1rby h ASP 72 Ca 0.02 0.02 0.04 0.00 0.42 0.00 0.00 57.03 57.54 1rby h ASP 72 Cb 0.17 -0.19 -0.04 0.00 1.72 0.00 0.00 39.33 40.99 1rby h ASP 72 CO -0.06 0.60 0.21 0.25 -2.88 0.00 0.00 179.24 177.37 1rby h LEU 73 N 1.11 0.29 -0.71 2.28 6.46 -0.86 -0.49 115.31 123.39 1rby h LEU 73 Ca 0.46 0.03 -0.04 0.00 -0.12 0.00 0.00 57.88 58.21 1rby h LEU 73 Cb 0.28 -0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.16 1rby h LEU 73 CO -0.21 0.21 0.29 0.58 -0.62 0.00 0.00 178.44 178.68 1rby h VAL 74 N 0.42 1.25 -0.78 1.05 2.07 -1.03 -1.62 116.25 117.61 1rby h VAL 74 Ca 0.20 -0.78 0.02 0.00 0.82 0.00 0.00 66.70 66.96 1rby h VAL 74 Cb 0.13 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.28 1rby h VAL 74 CO -0.16 0.31 0.51 -0.07 0.02 0.00 0.00 177.57 178.19 1rby h LEU 75 N 1.02 0.87 -0.45 2.57 4.07 -0.44 -2.34 115.31 120.61 1rby h LEU 75 Ca 0.24 -0.01 -0.05 0.00 0.08 0.00 0.00 57.88 58.13 1rby h LEU 75 Cb 0.21 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 41.73 1rby h LEU 75 CO -0.02 0.61 0.08 -0.33 -1.08 0.00 0.00 178.44 177.71 1rby h GLU 76 N 1.02 0.74 -0.82 1.13 4.39 -0.96 -1.56 114.58 118.51 1rby h GLU 76 Ca 0.30 -0.19 0.17 0.00 0.34 0.00 0.00 59.36 59.98 1rby h GLU 76 Cb -0.06 -0.09 -0.11 0.00 -0.10 0.00 0.00 28.75 28.39 1rby h GLU 76 CO -0.09 0.76 0.34 0.93 -1.16 0.00 0.00 179.01 179.79 1rby h GLU 77 N 0.61 0.43 -0.63 2.33 5.08 -0.79 0.36 114.58 121.96 1rby h GLU 77 Ca 0.14 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1rby h GLU 77 Cb 0.37 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1rby h GLU 77 CO 0.01 0.28 0.00 1.19 -1.00 0.00 0.00 179.01 179.49 1rby n PHE 78 N -5.01 1.71 -2.84 4.33 3.01 -0.95 -4.98 117.46 112.73 1rby n PHE 78 Ca 0.18 -0.61 -0.06 0.00 1.01 0.00 0.00 57.45 57.96 1rby n PHE 78 Cb 0.51 -0.40 0.00 0.00 -0.01 0.00 0.00 39.48 39.59 1rby n PHE 78 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1rby n SER 79 N 0.70 -1.16 -4.76 4.37 3.41 0.11 -4.89 113.62 111.40 1rby n SER 79 Ca 0.24 -0.24 -0.40 0.00 -0.26 0.00 0.00 58.87 58.21 1rby n SER 79 Cb 1.01 -0.39 -0.06 0.00 -0.26 0.00 0.00 64.21 64.52 1rby n SER 79 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1rby s ILE 80 N -2.29 4.35 -0.20 -1.33 -1.09 -0.63 -4.75 121.20 115.25 1rby s ILE 80 Ca 0.00 1.83 0.02 0.00 -2.23 0.00 0.00 60.65 60.27 1rby s ILE 80 Cb -0.00 -4.20 -0.21 0.00 -1.58 0.00 0.00 42.46 36.47 1rby s ILE 80 CO 0.22 0.48 0.03 0.47 -1.23 0.00 0.00 174.94 174.90 1rby n ASP 81 N 1.83 1.77 -4.00 3.58 8.00 0.99 -4.94 116.55 123.77 1rby n ASP 81 Ca -0.04 0.01 -0.18 0.00 0.71 0.00 0.00 54.79 55.29 1rby n ASP 81 Cb 0.48 -0.39 -0.15 0.00 -0.02 0.00 0.00 41.12 41.05 1rby n ASP 81 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1rby s ILE 82 N -2.53 0.62 -0.14 0.53 1.01 -0.92 -4.83 121.20 114.94 1rby s ILE 82 Ca -0.27 -0.34 -0.00 0.00 0.00 0.00 0.00 60.65 60.03 1rby s ILE 82 Cb 0.08 -0.52 -0.01 0.00 0.01 0.00 0.00 42.46 42.01 1rby s ILE 82 CO 0.69 0.17 -0.13 -0.69 0.00 0.00 0.00 174.94 174.98 1rby s VAL 83 N -0.19 3.00 -0.14 2.92 1.01 -0.00 -1.27 120.40 125.73 1rby s VAL 83 Ca 0.03 -0.67 -0.02 0.00 0.00 0.00 0.00 61.98 61.31 1rby s VAL 83 Cb -0.03 -2.26 -0.02 0.00 0.00 0.00 0.00 36.38 34.06 1rby s VAL 83 CO -0.00 0.52 -0.07 0.00 0.00 0.00 0.00 175.10 175.55 1rby s LEU 85 N 0.30 4.77 -0.67 0.00 1.43 0.13 -1.24 118.68 123.41 1rby s LEU 85 Ca -0.06 -0.60 0.05 0.00 -1.03 0.00 0.00 54.13 52.50 1rby s LEU 85 Cb -0.15 -2.49 0.17 0.00 0.03 0.00 0.00 46.19 43.75 1rby s LEU 85 CO 0.04 -0.65 0.47 0.00 0.23 0.00 0.00 176.35 176.43 1rby s ALA 86 N 2.35 3.62 -0.03 4.21 0.00 0.10 -2.93 121.76 129.07 1rby s ALA 86 Ca 0.15 -3.71 0.00 0.00 0.00 0.00 0.00 51.96 48.41 1rby s ALA 86 Cb -0.16 -2.13 0.00 0.00 0.00 0.00 0.00 23.12 20.83 1rby s ALA 86 CO 0.15 -2.08 0.00 0.41 0.00 0.00 0.00 175.76 174.24 1rby n GLY 87 N 2.12 0.41 3.69 0.00 0.00 -1.26 -4.40 105.19 105.75 1rby n GLY 87 Ca 0.19 -0.96 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 1rby n GLY 87 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1rby s PHE 88 N -2.01 3.04 -1.55 1.61 5.36 -1.26 -2.62 117.98 120.56 1rby s PHE 88 Ca 0.00 1.03 0.17 0.00 -0.96 0.00 0.00 56.93 57.17 1rby s PHE 88 Cb 0.00 -3.54 0.42 0.00 -0.34 0.00 0.00 43.02 39.57 1rby s PHE 88 CO 0.00 -1.85 1.34 -1.33 -1.46 0.00 0.00 175.22 171.93 1rby n MET 89 N 5.23 2.59 -4.00 10.12 2.81 -1.26 -4.93 117.12 127.68 1rby n MET 89 Ca 0.12 -2.23 -0.35 0.00 -1.81 0.00 0.00 57.70 53.43 1rby n MET 89 Cb 0.45 -1.41 -0.11 0.00 -0.71 0.00 0.00 33.22 31.44 1rby n MET 89 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1rby s ARG 90 N -1.07 3.82 0.09 0.03 1.81 -1.26 -5.08 118.95 117.29 1rby s ARG 90 Ca 0.34 -0.42 -0.31 0.00 -1.72 0.00 0.00 55.73 53.62 1rby s ARG 90 Cb 0.18 -3.20 -0.07 0.00 -0.45 0.00 0.00 34.95 31.41 1rby s ARG 90 CO 0.24 0.12 1.37 0.42 -0.68 0.00 0.00 175.30 176.77 1rby s ILE 91 N 0.78 3.47 0.07 1.52 1.01 -1.26 -5.01 121.20 121.78 1rby s ILE 91 Ca 0.03 1.03 -0.14 0.00 0.00 0.00 0.00 60.65 61.56 1rby s ILE 91 Cb -0.14 -3.66 -0.06 0.00 0.01 0.00 0.00 42.46 38.61 1rby s ILE 91 CO 0.02 0.06 0.47 -0.76 0.00 0.00 0.00 174.94 174.74 1rby s LEU 92 N 1.34 4.42 0.80 2.97 1.43 -1.26 -5.04 118.68 123.34 1rby s LEU 92 Ca 0.64 1.00 -0.12 0.00 -1.03 0.00 0.00 54.13 54.62 1rby s LEU 92 Cb -0.35 -2.92 0.08 0.00 0.03 0.00 0.00 46.19 43.03 1rby s LEU 92 CO 0.29 0.22 1.13 -0.94 0.23 0.00 0.00 176.35 177.28 1rby s SER 93 N -1.43 3.95 0.13 2.29 1.04 -1.26 -4.81 113.70 113.62 1rby s SER 93 Ca 0.31 2.06 -0.32 0.00 0.48 0.00 0.00 55.95 58.47 1rby s SER 93 Cb -0.16 -2.55 -0.10 0.00 0.10 0.00 0.00 66.02 63.31 1rby s SER 93 CO 0.17 -2.41 1.55 1.23 0.98 0.00 0.00 173.24 174.76 1rby h GLY 94 N -1.14 -0.96 0.66 7.32 0.00 -1.97 -2.32 103.07 104.65 1rby h GLY 94 Ca -0.44 0.70 0.09 0.00 0.00 0.00 0.00 47.33 47.68 1rby h GLY 94 CO 0.48 -0.12 0.61 -2.55 0.00 0.00 0.00 176.54 174.96 1rby h PRO 95 N -0.39 0.98 -0.12 4.80 0.11 -1.99 0.28 132.00 135.67 1rby h PRO 95 Ca 0.08 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 1rby h PRO 95 Cb 0.60 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.48 1rby h PRO 95 CO -0.60 0.65 0.04 0.35 -0.21 0.00 0.00 178.00 178.23 1rby h PHE 96 N 1.01 0.19 -0.73 0.65 3.04 -1.87 -1.76 116.94 117.46 1rby h PHE 96 Ca 0.44 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.38 1rby h PHE 96 Cb 0.36 -0.06 -0.04 0.00 2.56 0.00 0.00 35.95 38.77 1rby h PHE 96 CO -0.00 0.31 0.47 0.28 -2.02 0.00 0.00 178.31 177.35 1rby h VAL 97 N 0.02 1.19 -0.71 1.41 2.07 -0.99 -1.53 116.25 117.71 1rby h VAL 97 Ca 0.04 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 1rby h VAL 97 Cb 0.20 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.07 1rby h VAL 97 CO -0.00 0.19 0.38 1.56 0.02 0.00 0.00 177.57 179.72 1rby h GLN 98 N 0.99 1.00 -0.74 1.57 4.20 -0.93 -0.98 115.11 120.23 1rby h GLN 98 Ca 0.27 -0.13 -0.07 0.00 0.06 0.00 0.00 58.65 58.79 1rby h GLN 98 Cb -0.09 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.47 1rby h GLN 98 CO -0.06 0.76 0.21 -0.22 -0.67 0.00 0.00 178.83 178.85 1rby h LYS 99 N 0.98 1.16 -0.60 1.46 3.64 -0.88 -2.96 116.57 119.37 1rby h LYS 99 Ca 0.25 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1rby h LYS 99 Cb 0.06 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1rby h LYS 99 CO -0.04 1.00 0.00 0.91 -2.27 0.00 0.00 179.45 179.05 1rby n TRP 100 N -4.24 1.04 -1.69 1.91 7.02 -0.62 -4.98 117.44 115.89 1rby n TRP 100 Ca 0.06 -0.43 -0.44 0.00 -1.02 0.00 0.00 57.50 55.66 1rby n TRP 100 Cb 0.25 -0.15 -0.04 0.00 -2.42 0.00 0.00 31.31 28.95 1rby n TRP 100 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 1rby n ASN 101 N 0.90 3.68 0.00 -0.99 5.15 -0.39 -0.86 115.26 122.75 1rby n ASN 101 Ca 0.19 1.02 0.00 0.00 -0.60 0.00 0.00 54.58 55.20 1rby n ASN 101 Cb 0.64 -1.49 0.00 0.00 -0.53 0.00 0.00 39.78 38.40 1rby n ASN 101 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1rby n GLY 102 N 3.98 1.07 0.00 8.20 0.00 -1.26 -4.83 105.19 112.35 1rby n GLY 102 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1rby n GLY 102 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rby n LYS 103 N -2.00 0.09 -4.13 1.61 4.76 -0.04 -4.66 118.16 113.79 1rby n LYS 103 Ca 0.00 -0.44 -0.29 0.00 -2.87 0.00 0.00 58.31 54.71 1rby n LYS 103 Cb 0.00 -0.72 -0.17 0.00 -1.84 0.00 0.00 35.03 32.30 1rby n LYS 103 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 1rby s MET 104 N -0.13 2.07 0.08 1.97 1.75 -0.97 -0.82 119.30 123.24 1rby s MET 104 Ca 0.00 -0.48 0.05 0.00 -1.25 0.00 0.00 55.69 54.01 1rby s MET 104 Cb 0.00 -1.89 -0.04 0.00 2.84 0.00 0.00 34.83 35.74 1rby s MET 104 CO 0.00 -0.19 -0.06 -0.51 -0.65 0.00 0.00 175.02 173.61 1rby s LEU 105 N 1.37 3.21 0.05 4.11 1.43 0.59 -1.29 118.68 128.16 1rby s LEU 105 Ca 0.01 -0.26 0.07 0.00 -1.03 0.00 0.00 54.13 52.92 1rby s LEU 105 Cb -0.13 -1.95 -0.03 0.00 0.03 0.00 0.00 46.19 44.11 1rby s LEU 105 CO -0.07 0.20 -0.18 0.21 0.23 0.00 0.00 176.35 176.74 1rby s ASN 106 N -2.05 2.20 -0.25 2.29 2.47 0.03 0.20 114.94 119.82 1rby s ASN 106 Ca 0.22 -0.52 -0.11 0.00 0.42 0.00 0.00 52.86 52.87 1rby s ASN 106 Cb -0.11 -0.16 -0.05 0.00 -1.45 0.00 0.00 41.25 39.48 1rby s ASN 106 CO 0.14 0.10 0.17 -0.51 -3.72 0.00 0.00 177.10 173.28 1rby s ILE 107 N -0.86 5.34 -0.09 -5.21 1.10 -1.15 -1.64 121.20 118.69 1rby s ILE 107 Ca 0.05 0.17 0.04 0.00 -0.51 0.00 0.00 60.65 60.41 1rby s ILE 107 Cb -0.09 -3.50 -0.00 0.00 0.15 0.00 0.00 42.46 39.02 1rby s ILE 107 CO 0.02 0.32 -0.23 -2.28 -2.11 0.00 0.00 174.94 170.65 1rby s HIS 108 N 1.27 2.43 -0.35 3.50 5.65 0.28 -4.77 115.29 123.30 1rby s HIS 108 Ca 0.07 -0.94 -0.06 0.00 0.25 0.00 0.00 55.06 54.38 1rby s HIS 108 Cb -0.14 -1.63 -0.15 0.00 -1.18 0.00 0.00 32.58 29.48 1rby s HIS 108 CO 0.06 -0.37 3.28 -0.35 -0.65 0.00 0.00 174.74 176.72 1rby n PRO 109 N 3.44 2.41 -3.99 2.88 -0.04 -1.26 -0.46 135.00 137.98 1rby n PRO 109 Ca -0.19 -1.59 -0.09 0.00 -0.04 0.00 0.00 63.50 61.59 1rby n PRO 109 Cb 0.53 -2.15 -0.05 0.00 -0.04 0.00 0.00 33.50 31.79 1rby n PRO 109 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1rby s SER 110 N 1.52 -0.09 -0.98 3.54 1.04 -0.50 -4.56 113.70 113.68 1rby s SER 110 Ca 0.65 -0.92 -0.21 0.00 0.48 0.00 0.00 55.95 55.95 1rby s SER 110 Cb 0.31 0.60 0.09 0.00 0.10 0.00 0.00 66.02 67.12 1rby s SER 110 CO -0.07 -1.16 1.30 -0.76 0.98 0.00 0.00 173.24 173.53 1rby s LEU 111 N -3.02 4.20 0.43 2.42 1.43 -1.24 -2.88 118.68 120.02 1rby s LEU 111 Ca 0.22 -1.71 -0.25 0.00 -1.03 0.00 0.00 54.13 51.36 1rby s LEU 111 Cb -0.01 -2.49 -0.10 0.00 0.03 0.00 0.00 46.19 43.62 1rby s LEU 111 CO 0.09 -1.31 1.19 0.18 0.23 0.00 0.00 176.35 176.73 1rby n LEU 112 N 7.84 3.64 -0.52 1.79 4.77 -1.26 -1.85 117.00 131.40 1rby n LEU 112 Ca 0.29 1.07 0.05 0.00 -0.03 0.00 0.00 56.01 57.39 1rby n LEU 112 Cb 0.50 -1.45 0.15 0.00 -2.33 0.00 0.00 43.42 40.29 1rby n LEU 112 CO 0.59 -0.94 0.62 -0.81 -1.33 0.00 0.00 177.39 175.53 1rby n PRO 113 N 0.00 1.65 -2.33 3.23 -0.04 -1.26 -5.09 135.00 131.16 1rby n PRO 113 Ca 0.08 -1.01 -0.40 0.00 -0.04 0.00 0.00 63.50 62.13 1rby n PRO 113 Cb 0.40 -1.23 -0.03 0.00 -0.04 0.00 0.00 33.50 32.59 1rby n PRO 113 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1rby s SER 114 N -1.05 6.91 -1.10 3.54 0.01 -0.77 -4.30 113.70 116.93 1rby s SER 114 Ca 0.20 2.39 -0.01 0.00 1.31 0.00 0.00 55.95 59.84 1rby s SER 114 Cb 0.10 -2.63 -0.01 0.00 0.21 0.00 0.00 66.02 63.69 1rby s SER 114 CO 0.14 -0.41 0.92 0.49 0.41 0.00 0.00 173.24 174.80 1rby n PHE 115 N 0.72 -2.12 -1.37 2.43 3.72 -1.26 -4.42 117.46 115.16 1rby n PHE 115 Ca 0.01 0.87 -0.32 0.00 -0.05 0.00 0.00 57.45 57.95 1rby n PHE 115 Cb 0.45 -4.72 0.09 0.00 -0.94 0.00 0.00 39.48 34.36 1rby n PHE 115 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1rby s LYS 116 N -5.07 2.19 0.00 -1.08 1.02 -1.26 -4.55 119.74 110.99 1rby s LYS 116 Ca 0.09 1.45 0.00 0.00 0.02 0.00 0.00 55.97 57.54 1rby s LYS 116 Cb -0.01 -1.87 0.00 0.00 -0.52 0.00 0.00 37.83 35.43 1rby s LYS 116 CO 0.69 -1.74 0.00 0.41 -0.92 0.00 0.00 175.35 173.79 1rby n GLY 117 N -0.34 1.91 0.15 -3.33 0.00 -1.26 -4.76 105.19 97.56 1rby n GLY 117 Ca 0.11 -1.99 0.13 0.00 0.00 0.00 0.00 46.02 44.27 1rby n GLY 117 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1rby h SER 118 N 0.00 0.00 -1.31 1.61 4.64 -2.02 -3.24 113.55 113.23 1rby h SER 118 Ca 0.00 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.67 1rby h SER 118 Cb 0.00 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 61.74 1rby h SER 118 CO 0.00 0.00 0.07 -0.46 -0.87 0.00 0.00 176.83 175.57 1rby n ASN 119 N -2.43 6.19 -0.30 4.97 6.94 -1.26 -4.82 115.26 124.54 1rby n ASN 119 Ca 0.03 -3.77 0.03 0.00 -0.02 0.00 0.00 54.58 50.85 1rby n ASN 119 Cb 0.35 -0.70 0.23 0.00 -2.36 0.00 0.00 39.78 37.30 1rby n ASN 119 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1rby h ALA 120 N 2.44 1.49 -0.18 -2.53 0.00 -1.80 -2.19 119.26 116.50 1rby h ALA 120 Ca 0.46 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.31 1rby h ALA 120 Cb 0.84 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1rby h ALA 120 CO 1.15 0.38 0.01 0.45 0.00 0.00 0.00 179.25 181.25 1rby h HIS 121 N 1.05 0.34 -0.76 0.00 3.86 -1.88 0.35 115.15 118.10 1rby h HIS 121 Ca 0.38 -0.05 0.12 0.00 -1.16 0.00 0.00 60.37 59.66 1rby h HIS 121 Cb 0.15 -0.09 -0.08 0.00 1.06 0.00 0.00 27.41 28.45 1rby h HIS 121 CO -0.00 0.49 0.37 1.49 0.86 0.00 0.00 177.93 181.14 1rby h GLU 122 N 0.08 0.55 -0.44 2.45 4.81 -1.87 -0.89 114.58 119.27 1rby h GLU 122 Ca 0.05 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.21 1rby h GLU 122 Cb 0.35 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 1rby h GLU 122 CO 0.01 0.37 0.13 1.96 -0.73 0.00 0.00 179.01 180.75 1rby h GLN 123 N 0.57 0.69 -0.43 1.92 4.20 -1.04 -1.64 115.11 119.38 1rby h GLN 123 Ca 0.40 -0.15 0.02 0.00 0.06 0.00 0.00 58.65 58.98 1rby h GLN 123 Cb 0.51 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 1rby h GLN 123 CO -0.33 0.68 0.25 0.00 -0.67 0.00 0.00 178.83 178.76 1rby h ALA 124 N 0.99 0.55 -0.48 3.87 0.00 -0.25 -0.20 119.26 123.73 1rby h ALA 124 Ca 0.14 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1rby h ALA 124 Cb 0.28 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1rby h ALA 124 CO -0.00 -0.07 0.03 -0.07 0.00 0.00 0.00 179.25 179.14 1rby h LEU 125 N 0.51 0.80 -0.68 0.00 3.38 -1.13 -0.92 115.31 117.27 1rby h LEU 125 Ca 0.17 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 57.86 1rby h LEU 125 Cb 0.01 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 1rby h LEU 125 CO -0.08 0.89 0.45 -0.08 0.09 0.00 0.00 178.44 179.71 1rby h GLU 126 N 0.68 0.89 -0.09 1.13 4.81 -1.01 -2.89 114.58 118.10 1rby h GLU 126 Ca 0.14 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 59.18 1rby h GLU 126 Cb 0.46 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 1rby h GLU 126 CO 0.02 0.59 -0.52 1.15 -0.73 0.00 0.00 179.01 179.52 1rby h THR 127 N 0.92 1.35 0.00 0.32 2.02 -0.88 -3.48 112.91 113.16 1rby h THR 127 Ca 0.25 -1.79 0.00 0.00 0.77 0.00 0.00 66.41 65.64 1rby h THR 127 Cb -0.10 1.86 0.00 0.00 -1.74 0.00 0.00 68.15 68.17 1rby h THR 127 CO -0.06 0.53 0.00 0.61 0.37 0.00 0.00 175.52 176.97 1rby n GLY 128 N 0.08 0.96 3.76 2.16 0.00 -0.36 -5.06 105.19 106.73 1rby n GLY 128 Ca -0.02 -0.56 -0.36 0.00 0.00 0.00 0.00 46.02 45.08 1rby n GLY 128 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1rby s VAL 129 N -2.00 2.84 -1.26 1.61 -7.23 -1.18 -4.94 120.40 108.24 1rby s VAL 129 Ca 0.00 0.55 0.21 0.00 -1.81 0.00 0.00 61.98 60.93 1rby s VAL 129 Cb 0.00 -3.23 -0.17 0.00 0.56 0.00 0.00 36.38 33.53 1rby s VAL 129 CO 0.00 -0.09 0.94 0.35 -0.31 0.00 0.00 175.10 175.99 1rby n THR 130 N -1.28 0.00 -4.00 5.32 -2.24 -1.26 -4.77 114.28 106.05 1rby n THR 130 Ca 0.12 -0.07 -0.22 0.00 -2.27 0.00 0.00 64.05 61.61 1rby n THR 130 Cb 0.49 1.07 -0.17 0.00 -2.10 0.00 0.00 70.33 69.62 1rby n THR 130 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1rby s VAL 131 N -2.85 0.55 0.00 2.28 1.01 -1.26 -1.00 120.40 119.13 1rby s VAL 131 Ca 0.11 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.03 1rby s VAL 131 Cb 0.16 -0.62 0.00 0.00 0.00 0.00 0.00 36.38 35.92 1rby s VAL 131 CO 0.79 0.26 0.00 1.07 0.00 0.00 0.00 175.10 177.21 1rby n THR 132 N 4.56 0.00 -2.75 3.92 5.66 -0.36 -4.93 114.28 120.38 1rby n THR 132 Ca -0.17 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.83 1rby n THR 132 Cb 0.50 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.28 1rby n THR 132 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1rby n GLY 133 N 2.92 -0.51 3.13 1.09 0.00 -1.26 -0.57 105.19 109.99 1rby n GLY 133 Ca 0.00 -0.95 -0.09 0.00 0.00 0.00 0.00 46.02 44.98 1rby n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rby s THR 135 N -3.94 -0.06 -0.23 0.00 2.01 0.39 -1.64 115.64 112.17 1rby s THR 135 Ca 0.16 0.21 -0.11 0.00 0.31 0.00 0.00 61.69 62.26 1rby s THR 135 Cb 0.07 -0.09 -0.05 0.00 0.01 0.00 0.00 72.50 72.44 1rby s THR 135 CO -0.03 0.09 0.17 -0.69 -0.69 0.00 0.00 174.62 173.46 1rby s VAL 136 N 1.07 5.36 0.05 3.82 1.01 0.33 -0.56 120.40 131.48 1rby s VAL 136 Ca -0.09 0.23 0.02 0.00 0.00 0.00 0.00 61.98 62.13 1rby s VAL 136 Cb -0.13 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 1rby s VAL 136 CO -0.03 0.36 -0.06 -1.38 0.00 0.00 0.00 175.10 173.98 1rby s HIS 137 N 0.91 0.66 0.54 5.22 -0.00 -0.65 -0.26 115.29 121.71 1rby s HIS 137 Ca 0.09 -0.66 -0.21 0.00 -0.00 0.00 0.00 55.06 54.28 1rby s HIS 137 Cb -0.13 -0.40 -0.05 0.00 -0.00 0.00 0.00 32.58 32.00 1rby s HIS 137 CO 0.03 -0.14 1.27 -0.06 -0.00 0.00 0.00 174.74 175.84 1rby s PHE 138 N -2.17 2.45 -0.18 0.38 0.08 -0.01 -0.79 117.98 117.74 1rby s PHE 138 Ca -0.04 1.46 -0.22 0.00 0.12 0.00 0.00 56.93 58.25 1rby s PHE 138 Cb -0.05 -3.61 -0.02 0.00 -0.57 0.00 0.00 43.02 38.77 1rby s PHE 138 CO -0.02 -2.38 0.67 0.08 -0.10 0.00 0.00 175.22 173.46 1rby s VAL 139 N -1.44 5.00 0.43 -0.44 1.01 -0.41 -3.57 120.40 120.99 1rby s VAL 139 Ca 0.72 1.27 0.07 0.00 0.00 0.00 0.00 61.98 64.04 1rby s VAL 139 Cb -0.35 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 1rby s VAL 139 CO 0.40 0.11 0.21 0.00 0.00 0.00 0.00 175.10 175.82 1rby s ALA 140 N 1.87 3.73 0.15 5.51 0.00 -1.26 -4.79 121.76 126.97 1rby s ALA 140 Ca 0.31 -1.92 -0.17 0.00 0.00 0.00 0.00 51.96 50.18 1rby s ALA 140 Cb -0.16 -0.44 0.03 0.00 0.00 0.00 0.00 23.12 22.55 1rby s ALA 140 CO 0.11 -0.19 1.76 1.49 0.00 0.00 0.00 175.76 178.93 1rby h GLU 141 N 1.33 0.29 -6.46 0.00 4.81 -1.93 -3.40 114.58 109.22 1rby h GLU 141 Ca -0.42 -0.02 -0.53 0.00 -0.13 0.00 0.00 59.36 58.26 1rby h GLU 141 Cb 1.26 -0.07 0.02 0.00 0.63 0.00 0.00 28.75 30.59 1rby h GLU 141 CO 0.68 0.19 0.91 0.34 -0.73 0.00 0.00 179.01 180.40 1rby s ASP 142 N -5.38 6.70 0.22 1.04 -1.08 -1.26 -4.91 116.67 111.99 1rby s ASP 142 Ca -0.13 2.37 -0.31 0.00 -0.52 0.00 0.00 52.55 53.96 1rby s ASP 142 Cb 0.11 -2.57 -0.11 0.00 -1.46 0.00 0.00 42.92 38.89 1rby s ASP 142 CO 0.71 -0.80 1.63 -0.69 0.52 0.00 0.00 175.17 176.53 1rby s VAL 143 N 2.23 2.26 -1.44 1.11 1.01 -1.26 -2.40 120.40 121.90 1rby s VAL 143 Ca 0.69 0.19 -0.03 0.00 0.00 0.00 0.00 61.98 62.84 1rby s VAL 143 Cb -0.37 -3.12 0.01 0.00 0.00 0.00 0.00 36.38 32.89 1rby s VAL 143 CO 0.30 0.02 0.23 0.47 0.00 0.00 0.00 175.10 176.12 1rby n ASP 144 N 3.42 -5.07 0.00 3.32 8.00 -1.26 -4.82 116.55 120.14 1rby n ASP 144 Ca 0.13 -0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.55 1rby n ASP 144 Cb 0.37 -4.20 0.00 0.00 -0.02 0.00 0.00 41.12 37.27 1rby n ASP 144 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rby n ALA 145 N -2.70 1.54 -1.72 2.24 0.00 -1.01 -4.95 120.51 113.91 1rby n ALA 145 Ca -0.15 -0.63 -0.30 0.00 0.00 0.00 0.00 53.44 52.36 1rby n ALA 145 Cb 0.63 0.00 0.18 0.00 0.00 0.00 0.00 19.45 20.26 1rby n ALA 145 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1rby s GLY 146 N -0.40 1.70 0.16 0.00 0.00 -1.25 -4.90 107.32 102.63 1rby s GLY 146 Ca 0.00 -1.01 -0.31 0.00 0.00 0.00 0.00 44.72 43.41 1rby s GLY 146 CO 0.00 -0.27 1.36 1.20 0.00 0.00 0.00 173.10 175.39 1rby s GLN 147 N -5.69 4.34 -0.03 2.90 -1.52 -1.23 -4.64 119.66 113.78 1rby s GLN 147 Ca 0.71 2.09 -0.30 0.00 -1.95 0.00 0.00 55.36 55.90 1rby s GLN 147 Cb -0.07 -3.22 -0.03 0.00 -0.22 0.00 0.00 33.01 29.47 1rby s GLN 147 CO 0.53 -0.37 1.14 0.42 -0.25 0.00 0.00 175.29 176.76 1rby s ILE 148 N 0.65 4.37 -0.15 1.08 1.01 -1.26 -0.83 121.20 126.08 1rby s ILE 148 Ca 0.61 1.69 -0.12 0.00 0.00 0.00 0.00 60.65 62.83 1rby s ILE 148 Cb -0.37 -4.09 -0.04 0.00 0.01 0.00 0.00 42.46 37.97 1rby s ILE 148 CO 0.34 0.04 -0.24 -0.38 0.00 0.00 0.00 174.94 174.71 1rby n ILE 149 N 4.37 1.35 -4.13 2.92 5.41 0.64 -4.95 119.36 124.98 1rby n ILE 149 Ca 0.10 0.21 -0.10 0.00 1.00 0.00 0.00 62.75 63.95 1rby n ILE 149 Cb 0.47 -2.31 -0.10 0.00 -0.71 0.00 0.00 39.64 36.99 1rby n ILE 149 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1rby s LEU 150 N -7.84 2.46 0.02 1.39 1.43 -1.11 -5.01 118.68 110.02 1rby s LEU 150 Ca -0.20 -0.92 -0.07 0.00 -1.03 0.00 0.00 54.13 51.92 1rby s LEU 150 Cb 0.03 -0.02 -0.00 0.00 0.03 0.00 0.00 46.19 46.22 1rby s LEU 150 CO 0.29 -0.45 0.14 -1.10 0.23 0.00 0.00 176.35 175.46 1rby s GLN 151 N -3.41 0.56 -0.02 1.70 -0.21 -1.26 -0.52 119.66 116.50 1rby s GLN 151 Ca 0.06 -0.56 -0.00 0.00 0.02 0.00 0.00 55.36 54.89 1rby s GLN 151 Cb 0.03 0.23 0.03 0.00 1.00 0.00 0.00 33.01 34.30 1rby s GLN 151 CO -0.05 -0.14 0.03 -2.00 -2.12 0.00 0.00 175.29 171.00 1rby s GLU 152 N -2.02 0.02 0.30 2.91 2.12 -0.65 -4.99 118.70 116.38 1rby s GLU 152 Ca -0.10 0.18 -0.28 0.00 0.36 0.00 0.00 54.97 55.14 1rby s GLU 152 Cb -0.04 -0.31 -0.09 0.00 0.26 0.00 0.00 34.13 33.95 1rby s GLU 152 CO -0.01 -0.17 0.98 0.00 -0.54 0.00 0.00 175.26 175.51 1rby s ALA 153 N 1.13 3.27 -0.03 6.30 0.00 -1.26 -1.29 121.76 129.88 1rby s ALA 153 Ca -0.08 0.63 0.00 0.00 0.00 0.00 0.00 51.96 52.50 1rby s ALA 153 Cb -0.13 -3.22 0.03 0.00 0.00 0.00 0.00 23.12 19.80 1rby s ALA 153 CO -0.03 0.10 0.01 0.08 0.00 0.00 0.00 175.76 175.92 1rby s VAL 154 N -1.42 0.12 0.45 0.00 1.01 0.27 -4.91 120.40 115.93 1rby s VAL 154 Ca 0.47 0.12 -0.24 0.00 0.00 0.00 0.00 61.98 62.33 1rby s VAL 154 Cb -0.23 -0.22 -0.07 0.00 0.00 0.00 0.00 36.38 35.85 1rby s VAL 154 CO 0.29 0.13 1.23 -2.16 0.00 0.00 0.00 175.10 174.59 1rby s PRO 155 N 1.02 3.74 -0.19 2.72 0.04 -1.26 -1.22 135.00 139.84 1rby s PRO 155 Ca -0.10 1.96 -0.13 0.00 0.04 0.00 0.00 61.00 62.77 1rby s PRO 155 Cb -0.13 -2.50 -0.05 0.00 0.04 0.00 0.00 34.50 31.86 1rby s PRO 155 CO -0.02 -0.62 0.25 0.08 0.04 0.00 0.00 177.00 176.72 1rby s VAL 156 N -1.42 5.33 -0.04 -0.36 1.01 -0.17 -4.82 120.40 119.93 1rby s VAL 156 Ca 0.62 0.42 -0.17 0.00 0.00 0.00 0.00 61.98 62.85 1rby s VAL 156 Cb -0.33 -3.58 -0.05 0.00 0.00 0.00 0.00 36.38 32.41 1rby s VAL 156 CO 0.41 0.37 0.48 -0.54 0.00 0.00 0.00 175.10 175.82 1rby s LYS 157 N 0.67 4.17 0.04 2.72 1.02 -1.26 -4.82 119.74 122.29 1rby s LYS 157 Ca 0.13 0.51 -0.36 0.00 0.02 0.00 0.00 55.97 56.27 1rby s LYS 157 Cb -0.13 -3.32 -0.15 0.00 -0.52 0.00 0.00 37.83 33.71 1rby s LYS 157 CO 0.03 0.44 1.53 0.54 -0.92 0.00 0.00 175.35 176.97 1rby n ARG 158 N 2.63 1.57 -0.58 1.68 1.74 -1.26 -1.05 116.66 121.39 1rby n ARG 158 Ca -0.10 0.57 0.00 0.00 -0.77 0.00 0.00 57.85 57.55 1rby n ARG 158 Cb 0.52 -2.28 0.00 0.00 -1.02 0.00 0.00 32.46 29.68 1rby n ARG 158 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rby n GLY 159 N 3.22 0.76 3.67 -0.13 0.00 -1.26 -5.05 105.19 106.41 1rby n GLY 159 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 1rby n GLY 159 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rby n ASP 160 N 0.00 2.39 -5.02 1.61 8.00 -0.21 -5.04 116.55 118.28 1rby n ASP 160 Ca 0.00 1.19 -0.18 0.00 0.71 0.00 0.00 54.79 56.51 1rby n ASP 160 Cb 0.00 -1.44 0.03 0.00 -0.02 0.00 0.00 41.12 39.69 1rby n ASP 160 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1rby s THR 161 N -1.10 2.64 0.21 -3.53 -4.23 -1.26 -4.94 115.64 103.42 1rby s THR 161 Ca 0.57 -0.99 -0.09 0.00 -1.18 0.00 0.00 61.69 60.00 1rby s THR 161 Cb -0.59 -2.65 0.15 0.00 1.34 0.00 0.00 72.50 70.75 1rby s THR 161 CO 0.61 0.00 1.75 0.58 -0.54 0.00 0.00 174.62 177.03 1rby h VAL 162 N 0.43 0.80 -0.32 2.29 2.07 -1.96 -1.46 116.25 118.09 1rby h VAL 162 Ca -0.36 -0.15 0.03 0.00 0.82 0.00 0.00 66.70 67.04 1rby h VAL 162 Cb 1.28 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 1rby h VAL 162 CO 0.43 0.08 0.13 0.00 0.02 0.00 0.00 177.57 178.24 1rby h ALA 163 N 1.41 0.38 -0.31 1.67 0.00 -1.98 0.47 119.26 120.90 1rby h ALA 163 Ca 0.31 0.03 -0.17 0.00 0.00 0.00 0.00 54.91 55.08 1rby h ALA 163 Cb 0.36 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1rby h ALA 163 CO -0.29 -0.26 -0.47 1.79 0.00 0.00 0.00 179.25 180.02 1rby h THR 164 N 0.29 1.28 -0.32 0.00 1.35 -1.84 -2.36 112.91 111.30 1rby h THR 164 Ca 0.14 -1.66 -0.11 0.00 -0.55 0.00 0.00 66.41 64.22 1rby h THR 164 Cb 0.09 1.54 -0.01 0.00 -1.73 0.00 0.00 68.15 68.04 1rby h THR 164 CO -0.12 0.54 -0.25 0.25 -0.25 0.00 0.00 175.52 175.69 1rby h LEU 165 N 0.66 0.77 -0.54 3.87 5.85 -1.23 -2.62 115.31 122.08 1rby h LEU 165 Ca 0.03 -0.45 0.07 0.00 0.84 0.00 0.00 57.88 58.38 1rby h LEU 165 Cb 1.06 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.82 1rby h LEU 165 CO 0.11 1.05 0.22 -1.28 -0.34 0.00 0.00 178.44 178.20 1rby h SER 166 N 0.50 0.25 -0.56 1.25 0.87 -0.85 -0.41 113.55 114.60 1rby h SER 166 Ca 0.06 0.06 -0.08 0.00 -1.23 0.00 0.00 61.79 60.59 1rby h SER 166 Cb 0.81 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.77 1rby h SER 166 CO 0.06 0.17 0.03 -0.33 -0.53 0.00 0.00 176.83 176.23 1rby h GLU 167 N 0.41 0.99 -0.53 2.24 4.39 -1.37 -0.79 114.58 119.93 1rby h GLU 167 Ca 0.26 -0.28 -0.10 0.00 0.34 0.00 0.00 59.36 59.57 1rby h GLU 167 Cb 0.26 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 1rby h GLU 167 CO -0.24 0.96 -0.06 -0.09 -1.16 0.00 0.00 179.01 178.42 1rby h ARG 168 N 0.92 0.97 -0.33 2.33 2.43 -1.00 -2.93 114.38 116.76 1rby h ARG 168 Ca 0.17 -0.34 -0.13 0.00 -0.81 0.00 0.00 59.98 58.87 1rby h ARG 168 Cb 0.49 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 1rby h ARG 168 CO 0.02 1.01 -0.34 0.28 -1.51 0.00 0.00 179.97 179.43 1rby h VAL 169 N 0.84 1.28 -0.32 0.20 2.07 -0.94 -2.97 116.25 116.40 1rby h VAL 169 Ca 0.14 -1.49 -0.00 0.00 0.82 0.00 0.00 66.70 66.17 1rby h VAL 169 Cb 0.61 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 1rby h VAL 169 CO 0.04 0.49 0.19 0.11 0.02 0.00 0.00 177.57 178.41 1rby h LYS 170 N 0.62 0.43 -0.45 1.57 1.57 -1.03 0.01 116.57 119.29 1rby h LYS 170 Ca 0.06 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1rby h LYS 170 Cb 0.87 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.06 1rby h LYS 170 CO 0.08 0.31 0.23 -0.07 -0.57 0.00 0.00 179.45 179.42 1rby h LEU 171 N 0.44 0.56 -0.01 2.94 3.38 -1.35 -1.72 115.31 119.55 1rby h LEU 171 Ca 0.12 -0.04 -0.26 0.00 0.09 0.00 0.00 57.88 57.78 1rby h LEU 171 Cb -0.00 -0.14 0.02 0.00 0.09 0.00 0.00 40.66 40.62 1rby h LEU 171 CO -0.02 0.47 -1.01 0.00 0.09 0.00 0.00 178.44 177.97 1rby h ALA 172 N 1.62 0.13 -0.85 1.53 0.00 -1.20 -3.26 119.26 117.23 1rby h ALA 172 Ca 0.16 -0.69 0.18 0.00 0.00 0.00 0.00 54.91 54.56 1rby h ALA 172 Cb 0.05 0.06 -0.11 0.00 0.00 0.00 0.00 17.79 17.79 1rby h ALA 172 CO -0.02 0.66 0.38 0.93 0.00 0.00 0.00 179.25 181.20 1rby h GLU 173 N 0.37 0.46 0.00 0.00 5.08 -0.68 -1.07 114.58 118.73 1rby h GLU 173 Ca -0.12 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1rby h GLU 173 Cb 1.67 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.81 1rby h GLU 173 CO 0.20 0.30 0.00 0.72 -1.00 0.00 0.00 179.01 179.23 1rby n HIS 174 N -4.99 0.26 -0.10 4.33 8.25 -0.68 -1.30 115.22 121.00 1rby n HIS 174 Ca 0.19 0.10 -0.15 0.00 -0.26 0.00 0.00 57.72 57.59 1rby n HIS 174 Cb 0.53 -0.66 -0.06 0.00 1.12 0.00 0.00 29.99 30.92 1rby n HIS 174 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1rby n LYS 175 N -1.73 0.53 0.15 -0.41 5.02 -0.47 -4.51 118.16 116.73 1rby n LYS 175 Ca 0.03 0.44 0.02 0.00 -2.02 0.00 0.00 58.31 56.78 1rby n LYS 175 Cb 0.21 -1.62 0.15 0.00 -0.02 0.00 0.00 35.03 33.74 1rby n LYS 175 CO 0.00 0.00 0.00 -0.84 -0.52 0.00 0.00 177.40 176.04 1rby h ILE 176 N -1.00 1.09 0.09 -0.18 3.07 -1.30 -2.89 117.51 116.40 1rby h ILE 176 Ca -0.24 -2.12 -0.00 0.00 1.55 0.00 0.00 64.86 64.05 1rby h ILE 176 Cb 1.04 2.25 0.00 0.00 -0.27 0.00 0.00 36.82 39.85 1rby h ILE 176 CO -0.14 0.54 -0.04 0.15 -1.05 0.00 0.00 178.15 177.60 1rby h PHE 177 N 0.00 -0.11 -0.83 0.16 3.57 -1.45 0.03 116.94 118.31 1rby h PHE 177 Ca -0.01 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.53 1rby h PHE 177 Cb 1.21 0.04 -0.05 0.00 2.79 0.00 0.00 35.95 39.94 1rby h PHE 177 CO 0.00 0.33 0.54 -1.35 -2.23 0.00 0.00 178.31 175.61 1rby h PRO 178 N -0.59 0.97 -0.65 6.41 0.11 -1.79 -1.14 132.00 135.32 1rby h PRO 178 Ca -0.01 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.98 1rby h PRO 178 Cb 0.49 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 31.35 1rby h PRO 178 CO 0.02 0.64 0.18 0.00 -0.21 0.00 0.00 178.00 178.63 1rby h ALA 179 N 1.52 0.85 -0.13 -0.75 0.00 -1.39 -1.62 119.26 117.74 1rby h ALA 179 Ca 0.34 -0.23 -0.18 0.00 0.00 0.00 0.00 54.91 54.84 1rby h ALA 179 Cb 0.08 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1rby h ALA 179 CO -0.10 0.55 -0.67 0.00 0.00 0.00 0.00 179.25 179.03 1rby h ALA 180 N 1.07 0.58 -0.30 0.00 0.00 -0.63 -1.96 119.26 118.01 1rby h ALA 180 Ca 0.21 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1rby h ALA 180 Cb 0.33 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1rby h ALA 180 CO -0.00 0.72 0.16 1.25 0.00 0.00 0.00 179.25 181.38 1rby h LEU 181 N 0.39 0.37 -0.78 0.00 5.85 -1.04 -1.48 115.31 118.62 1rby h LEU 181 Ca -0.02 -0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.66 1rby h LEU 181 Cb 1.24 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 42.13 1rby h LEU 181 CO 0.12 0.35 0.49 1.56 -0.34 0.00 0.00 178.44 180.62 1rby h GLN 182 N 0.36 0.89 -0.53 1.25 1.08 -1.20 0.32 115.11 117.29 1rby h GLN 182 Ca 0.10 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.25 1rby h GLN 182 Cb 0.06 -0.20 -0.03 0.00 -0.05 0.00 0.00 27.48 27.27 1rby h GLN 182 CO -0.02 0.59 0.31 -0.07 -0.95 0.00 0.00 178.83 178.69 1rby h LEU 183 N 0.92 0.65 -0.06 1.46 3.38 -1.09 0.02 115.31 120.59 1rby h LEU 183 Ca 0.33 -0.07 -0.22 0.00 0.09 0.00 0.00 57.88 58.00 1rby h LEU 183 Cb 0.09 -0.16 0.02 0.00 0.09 0.00 0.00 40.66 40.69 1rby h LEU 183 CO -0.14 0.53 -0.83 0.58 0.09 0.00 0.00 178.44 178.67 1rby h VAL 184 N 0.71 1.31 -0.46 1.22 2.07 -0.99 -0.99 116.25 119.13 1rby h VAL 184 Ca 0.19 -2.09 -0.05 0.00 0.82 0.00 0.00 66.70 65.57 1rby h VAL 184 Cb 0.01 2.28 -0.02 0.00 -1.52 0.00 0.00 31.29 32.03 1rby h VAL 184 CO -0.03 0.64 0.09 0.00 0.02 0.00 0.00 177.57 178.29 1rby h ALA 185 N 0.44 1.30 0.00 1.67 0.00 -0.27 -2.46 119.26 119.93 1rby h ALA 185 Ca -0.09 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1rby h ALA 185 Cb 1.49 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1rby h ALA 185 CO 0.17 0.49 0.00 -1.13 0.00 0.00 0.00 179.25 178.78 1rby n SER 186 N -4.29 0.00 0.00 0.00 3.41 -0.01 -4.60 113.62 108.12 1rby n SER 186 Ca 0.03 0.41 0.00 0.00 -0.26 0.00 0.00 58.87 59.05 1rby n SER 186 Cb 0.22 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 1rby n SER 186 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rby n GLY 187 N 1.30 0.53 0.25 5.00 0.00 -0.93 -4.91 105.19 106.42 1rby n GLY 187 Ca 0.08 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.05 1rby n GLY 187 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1rby h THR 188 N 0.00 1.26 -3.33 2.61 2.02 -1.52 -3.42 112.91 110.53 1rby h THR 188 Ca 0.00 -1.23 -0.61 0.00 0.77 0.00 0.00 66.41 65.34 1rby h THR 188 Cb 0.10 1.25 -0.34 0.00 -1.74 0.00 0.00 68.15 67.42 1rby h THR 188 CO 0.00 0.40 -0.85 -0.69 0.37 0.00 0.00 175.52 174.75 1rby s VAL 189 N -4.60 1.69 0.09 3.16 1.01 -0.48 0.08 120.40 121.35 1rby s VAL 189 Ca -0.08 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.14 1rby s VAL 189 Cb 0.14 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 1rby s VAL 189 CO 0.80 0.48 -0.08 -1.10 0.00 0.00 0.00 175.10 175.19 1rby s GLN 190 N 0.62 0.81 -0.58 2.72 -0.21 -0.16 -4.24 119.66 118.62 1rby s GLN 190 Ca -0.14 -1.19 -0.25 0.00 0.02 0.00 0.00 55.36 53.81 1rby s GLN 190 Cb -0.16 -0.38 0.04 0.00 1.00 0.00 0.00 33.01 33.50 1rby s GLN 190 CO 0.04 0.04 1.01 -1.17 -2.12 0.00 0.00 175.29 173.09 1rby s LEU 191 N -2.60 3.97 0.70 2.90 0.20 -1.26 -0.59 118.68 122.01 1rby s LEU 191 Ca 0.06 -0.37 -0.14 0.00 0.69 0.00 0.00 54.13 54.38 1rby s LEU 191 Cb -0.00 -2.81 0.02 0.00 -0.43 0.00 0.00 46.19 42.97 1rby s LEU 191 CO -0.02 -1.34 1.11 -0.83 -0.29 0.00 0.00 176.35 174.99 1rby s GLY 192 N 3.03 2.03 0.30 7.98 0.00 0.13 -4.89 107.32 115.90 1rby s GLY 192 Ca 0.32 0.50 0.06 0.00 0.00 0.00 0.00 44.72 45.60 1rby s GLY 192 CO 0.19 0.86 1.71 0.83 0.00 0.00 0.00 173.10 176.69 1rby h GLU 193 N -0.36 0.47 0.00 2.90 5.08 -1.96 0.26 114.58 120.97 1rby h GLU 193 Ca -0.46 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1rby h GLU 193 Cb 1.25 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1rby h GLU 193 CO 0.53 0.31 0.00 0.27 -1.00 0.00 0.00 179.01 179.12 1rby n ASN 194 N -4.97 0.00 0.00 1.42 0.23 -1.26 -4.78 115.26 105.90 1rby n ASN 194 Ca 0.24 -0.66 0.00 0.00 -0.53 0.00 0.00 54.58 53.63 1rby n ASN 194 Cb 0.68 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.38 1rby n ASN 194 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1rby n GLY 195 N -0.17 1.36 3.95 4.83 0.00 0.91 -5.00 105.19 111.06 1rby n GLY 195 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 1rby n GLY 195 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rby s LYS 196 N -0.09 3.46 0.34 1.61 -0.14 -1.23 -4.79 119.74 118.90 1rby s LYS 196 Ca 0.00 -0.57 -0.28 0.00 -1.36 0.00 0.00 55.97 53.76 1rby s LYS 196 Cb 0.00 -2.89 -0.09 0.00 -1.68 0.00 0.00 37.83 33.17 1rby s LYS 196 CO 0.00 0.44 1.21 -1.50 -0.76 0.00 0.00 175.35 174.74 1rby s ILE 197 N -1.89 3.05 -0.05 2.17 2.07 -1.26 0.17 121.20 125.46 1rby s ILE 197 Ca 0.36 0.99 0.02 0.00 -1.41 0.00 0.00 60.65 60.61 1rby s ILE 197 Cb -0.10 -3.61 0.02 0.00 0.13 0.00 0.00 42.46 38.90 1rby s ILE 197 CO 0.29 0.19 -0.08 0.00 -1.91 0.00 0.00 174.94 173.44 1rby s TRP 199 N 0.79 3.19 -2.65 0.00 0.52 -1.26 -0.98 118.94 118.54 1rby s TRP 199 Ca -0.13 -0.06 0.27 0.00 0.02 0.00 0.00 56.10 56.20 1rby s TRP 199 Cb -0.15 -2.09 0.79 0.00 -1.15 0.00 0.00 33.47 30.87 1rby s TRP 199 CO 0.02 0.04 1.60 0.28 0.02 0.00 0.00 176.95 178.91