#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 4.19 -0.09 0.00 0.52 -1.26 -1.41 118.95 120.90 1rby s ARG 2 Ca 0.00 0.26 0.03 0.00 -0.52 0.00 0.00 55.73 55.50 1rby s ARG 2 Cb 0.00 -3.53 -0.02 0.00 0.52 0.00 0.00 34.95 31.92 1rby s ARG 2 CO 0.00 -0.04 -0.18 0.08 0.02 0.00 0.00 175.30 175.18 1rby s VAL 3 N 1.30 2.67 -0.08 3.52 1.01 0.49 0.27 120.40 129.59 1rby s VAL 3 Ca 0.21 -0.83 -0.05 0.00 0.00 0.00 0.00 61.98 61.31 1rby s VAL 3 Cb -0.15 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 1rby s VAL 3 CO 0.08 0.56 0.13 0.00 0.00 0.00 0.00 175.10 175.87 1rby s ALA 4 N -0.08 3.81 -0.14 5.51 0.00 -0.55 -0.66 121.76 129.65 1rby s ALA 4 Ca -0.04 -0.70 0.01 0.00 0.00 0.00 0.00 51.96 51.23 1rby s ALA 4 Cb -0.14 -1.87 -0.00 0.00 0.00 0.00 0.00 23.12 21.10 1rby s ALA 4 CO 0.04 0.65 -0.17 0.08 0.00 0.00 0.00 175.76 176.36 1rby s VAL 5 N -1.09 2.62 -0.13 0.00 1.01 -0.81 -0.35 120.40 121.65 1rby s VAL 5 Ca 0.18 -0.80 -0.07 0.00 0.00 0.00 0.00 61.98 61.30 1rby s VAL 5 Cb -0.12 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 1rby s VAL 5 CO 0.08 0.53 0.11 -0.76 0.00 0.00 0.00 175.10 175.06 1rby s LEU 6 N 0.62 4.21 0.13 3.92 1.43 -0.03 -1.07 118.68 127.89 1rby s LEU 6 Ca -0.09 0.37 -0.01 0.00 -1.03 0.00 0.00 54.13 53.37 1rby s LEU 6 Cb -0.16 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 43.99 1rby s LEU 6 CO 0.03 0.37 0.05 0.27 0.23 0.00 0.00 176.35 177.30 1rby s ILE 7 N -0.77 0.12 0.00 -0.59 -4.36 -0.42 -0.84 121.20 114.34 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 -2.05 0.00 0.00 1.25 0.00 0.00 42.46 41.55 1rby s ILE 7 CO 0.03 -0.47 0.12 -1.20 0.24 0.00 0.00 174.94 173.66 1rby n SER 8 N -0.10 0.24 0.00 4.36 7.64 -0.91 -2.95 113.62 121.89 1rby n SER 8 Ca -0.06 -0.94 0.00 0.00 1.01 0.00 0.00 58.87 58.89 1rby n SER 8 Cb 0.64 0.02 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 0.02 3.00 0.31 0.23 0.00 -1.26 -4.77 105.19 102.71 1rby n GLY 9 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.98 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 1.22 -0.25 2.61 2.02 -1.93 -1.26 112.91 115.32 1rby h THR 10 Ca 0.00 -0.49 -0.04 0.00 0.77 0.00 0.00 66.41 66.64 1rby h THR 10 Cb 0.00 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.57 1rby h THR 10 CO 0.00 0.23 -0.05 0.61 0.37 0.00 0.00 175.52 176.68 1rby n GLY 11 N -1.17 0.36 0.32 2.16 0.00 -1.26 -2.17 105.19 103.43 1rby n GLY 11 Ca 0.07 -0.86 -0.02 0.00 0.00 0.00 0.00 46.02 45.22 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 0.83 -0.33 1.61 4.64 -1.92 -1.11 113.55 117.26 1rby h SER 12 Ca -0.05 -0.10 -0.10 0.00 -0.47 0.00 0.00 61.79 61.07 1rby h SER 12 Cb 0.76 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 1rby h SER 12 CO 0.06 0.73 -0.16 0.78 -0.87 0.00 0.00 176.83 177.37 1rby h ASN 13 N 0.90 0.72 -0.66 4.97 2.35 -1.93 -2.92 115.58 119.01 1rby h ASN 13 Ca 0.22 -0.41 0.14 0.00 -0.55 0.00 0.00 56.30 55.70 1rby h ASN 13 Cb 0.15 -0.20 -0.11 0.00 0.05 0.00 0.00 38.32 38.21 1rby h ASN 13 CO -0.02 0.97 0.04 0.25 -1.65 0.00 0.00 177.43 177.02 1rby h LEU 14 N 0.47 -0.22 -0.47 1.61 6.46 -1.79 -1.31 115.31 120.07 1rby h LEU 14 Ca 0.07 0.16 0.03 0.00 -0.12 0.00 0.00 57.88 58.02 1rby h LEU 14 Cb 0.70 0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 40.86 1rby h LEU 14 CO 0.05 -0.10 0.27 -0.61 -0.62 0.00 0.00 178.44 177.43 1rby h GLN 15 N 0.15 0.53 -0.32 1.25 5.75 -1.09 -0.39 115.11 120.98 1rby h GLN 15 Ca 0.35 -0.03 -0.09 0.00 -0.15 0.00 0.00 58.65 58.73 1rby h GLN 15 Cb 0.59 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 29.00 1rby h GLN 15 CO -0.54 0.35 -0.19 0.00 -2.65 0.00 0.00 178.83 175.79 1rby h ALA 16 N 1.22 1.06 -0.28 3.38 0.00 -1.23 -1.83 119.26 121.59 1rby h ALA 16 Ca 0.19 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1rby h ALA 16 Cb 0.04 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1rby h ALA 16 CO -0.10 0.57 0.11 -0.07 0.00 0.00 0.00 179.25 179.76 1rby h LEU 17 N 0.54 0.38 0.19 0.00 3.38 -0.78 -1.09 115.31 117.93 1rby h LEU 17 Ca 0.08 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.90 1rby h LEU 17 Cb 0.63 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 1rby h LEU 17 CO 0.04 0.44 -0.37 0.40 0.09 0.00 0.00 178.44 179.05 1rby h ILE 18 N 0.30 0.24 -0.64 1.22 2.04 -0.82 -0.49 117.51 119.36 1rby h ILE 18 Ca 0.09 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.02 1rby h ILE 18 Cb 0.18 0.24 -0.06 0.00 -0.74 0.00 0.00 36.82 36.45 1rby h ILE 18 CO -0.01 0.00 0.34 0.44 0.00 0.00 0.00 178.15 178.92 1rby h ASP 19 N -0.64 0.48 -0.59 1.72 3.32 -1.31 -2.59 116.42 116.80 1rby h ASP 19 Ca 0.01 0.04 -0.10 0.00 0.02 0.00 0.00 57.03 57.00 1rby h ASP 19 Cb 0.64 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.12 1rby h ASP 19 CO -0.17 0.30 -0.00 -1.28 -1.72 0.00 0.00 179.24 176.37 1rby h SER 20 N 0.62 1.04 0.70 6.45 0.87 -1.02 -2.91 113.55 119.30 1rby h SER 20 Ca 0.30 -0.30 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1rby h SER 20 Cb 0.22 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 1rby h SER 20 CO -0.20 1.09 0.00 0.71 -0.53 0.00 0.00 176.83 177.90 1rby h THR 21 N 0.97 0.00 -0.13 2.23 1.35 -0.71 -2.62 112.91 113.99 1rby h THR 21 Ca 0.17 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.79 1rby h THR 21 Cb 0.56 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 67.96 1rby h THR 21 CO 0.03 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 175.84 1rby n ARG 22 N -2.32 2.36 -2.03 4.72 1.74 -1.06 -4.70 116.66 115.37 1rby n ARG 22 Ca 0.02 -1.99 -0.33 0.00 -0.77 0.00 0.00 57.85 54.78 1rby n ARG 22 Cb 0.22 -1.48 0.01 0.00 -1.02 0.00 0.00 32.46 30.20 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 -1.86 3.25 0.54 5.56 0.41 -0.99 -5.00 118.70 120.60 1rby s GLU 23 Ca 0.31 1.27 -0.21 0.00 -0.41 0.00 0.00 54.97 55.94 1rby s GLU 23 Cb 0.21 -2.02 -0.05 0.00 -1.78 0.00 0.00 34.13 30.49 1rby s GLU 23 CO 0.31 -0.88 1.20 -1.25 -0.49 0.00 0.00 175.26 174.15 1rby s PRO 24 N -3.99 3.31 -0.86 0.39 0.04 -1.26 -2.95 135.00 129.67 1rby s PRO 24 Ca 0.65 1.83 0.00 0.00 0.04 0.00 0.00 61.00 63.52 1rby s PRO 24 Cb -0.17 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.23 1rby s PRO 24 CO 0.36 -0.94 0.00 0.09 0.04 0.00 0.00 177.00 176.55 1rby n ASN 25 N -1.12 -4.34 -4.77 6.66 3.02 -1.26 -5.01 115.26 108.44 1rby n ASN 25 Ca 0.11 0.20 -0.39 0.00 -0.03 0.00 0.00 54.58 54.46 1rby n ASN 25 Cb 0.49 -2.55 0.00 0.00 -0.61 0.00 0.00 39.78 37.11 1rby n ASN 25 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1rby s SER 26 N -2.67 6.19 0.00 6.41 0.15 -1.15 -4.93 113.70 117.69 1rby s SER 26 Ca 0.00 2.71 0.22 0.00 0.70 0.00 0.00 55.95 59.58 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 -0.94 1.46 -1.20 1.20 0.00 0.00 173.24 173.76 1rby n SER 27 N 0.02 3.34 -3.91 5.45 7.64 -1.26 -4.95 113.62 119.94 1rby n SER 27 Ca 0.04 -1.97 -0.10 0.00 1.01 0.00 0.00 58.87 57.85 1rby n SER 27 Cb 0.43 -0.33 -0.11 0.00 -1.01 0.00 0.00 64.21 63.20 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 -1.34 -0.13 -0.02 -0.43 0.00 -1.26 0.09 121.76 118.66 1rby s ALA 28 Ca 0.41 -0.28 0.02 0.00 0.00 0.00 0.00 51.96 52.11 1rby s ALA 28 Cb 0.22 0.10 0.01 0.00 0.00 0.00 0.00 23.12 23.45 1rby s ALA 28 CO 0.30 -0.17 -0.06 1.14 0.00 0.00 0.00 175.76 176.97 1rby s GLN 29 N -1.25 0.74 -0.28 0.00 -2.07 -0.50 -4.73 119.66 111.58 1rby s GLN 29 Ca -0.14 -0.21 -0.25 0.00 -1.82 0.00 0.00 55.36 52.94 1rby s GLN 29 Cb -0.08 -0.72 0.00 0.00 -1.09 0.00 0.00 33.01 31.12 1rby s GLN 29 CO 0.00 0.06 0.88 0.42 -1.32 0.00 0.00 175.29 175.33 1rby s ILE 30 N 0.30 4.75 -0.03 3.63 1.01 -1.26 -0.38 121.20 129.23 1rby s ILE 30 Ca -0.04 1.51 0.14 0.00 0.00 0.00 0.00 60.65 62.26 1rby s ILE 30 Cb -0.08 -4.20 -0.21 0.00 0.01 0.00 0.00 42.46 37.98 1rby s ILE 30 CO 0.00 -0.21 0.30 0.47 0.00 0.00 0.00 174.94 175.50 1rby n ASP 31 N 6.25 1.86 -3.70 3.58 8.00 0.16 -4.92 116.55 127.78 1rby n ASP 31 Ca 0.07 -0.01 -0.14 0.00 0.71 0.00 0.00 54.79 55.41 1rby n ASP 31 Cb 0.47 1.61 -0.08 0.00 -0.02 0.00 0.00 41.12 43.10 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 -2.94 0.02 -0.11 0.53 1.10 -1.21 -4.26 121.20 114.34 1rby s ILE 32 Ca -0.05 -0.20 0.02 0.00 -0.51 0.00 0.00 60.65 59.91 1rby s ILE 32 Cb 0.09 -0.69 0.01 0.00 0.15 0.00 0.00 42.46 42.02 1rby s ILE 32 CO 0.57 -0.11 -0.17 -0.69 -2.11 0.00 0.00 174.94 172.43 1rby s VAL 33 N -0.70 1.62 -0.14 4.00 1.01 -0.75 -1.93 120.40 123.52 1rby s VAL 33 Ca -0.08 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.19 1rby s VAL 33 Cb -0.03 -1.46 0.00 0.00 0.00 0.00 0.00 36.38 34.88 1rby s VAL 33 CO 0.04 0.46 -0.18 -0.63 0.00 0.00 0.00 175.10 174.79 1rby s ILE 34 N 0.88 2.47 0.03 2.22 1.01 -0.23 -1.46 121.20 126.11 1rby s ILE 34 Ca -0.08 -0.85 0.04 0.00 0.00 0.00 0.00 60.65 59.76 1rby s ILE 34 Cb -0.15 -2.02 -0.03 0.00 0.01 0.00 0.00 42.46 40.26 1rby s ILE 34 CO -0.00 0.53 -0.07 -0.55 0.00 0.00 0.00 174.94 174.85 1rby s SER 35 N 0.70 4.59 0.00 3.58 0.15 0.01 -1.30 113.70 121.42 1rby s SER 35 Ca -0.08 -0.19 0.27 0.00 0.70 0.00 0.00 55.95 56.65 1rby s SER 35 Cb -0.16 -1.03 0.91 0.00 -1.71 0.00 0.00 66.02 64.03 1rby s SER 35 CO 0.01 0.26 1.66 -0.46 1.20 0.00 0.00 173.24 175.92 1rby n ASN 36 N 1.37 1.11 -3.99 5.45 0.23 -1.15 -0.54 115.26 117.74 1rby n ASN 36 Ca -0.15 -1.06 -0.18 0.00 -0.53 0.00 0.00 54.58 52.66 1rby n ASN 36 Cb 0.52 0.07 -0.15 0.00 -2.08 0.00 0.00 39.78 38.14 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 -2.33 0.68 0.63 -3.83 1.02 -1.26 -3.72 119.74 110.93 1rby s LYS 37 Ca 0.30 -0.26 -0.14 0.00 0.02 0.00 0.00 55.97 55.89 1rby s LYS 37 Cb 0.20 -0.66 -0.02 0.00 -0.52 0.00 0.00 37.83 36.83 1rby s LYS 37 CO 0.45 0.14 1.05 0.00 -0.92 0.00 0.00 175.35 176.07 1rby s ALA 38 N -0.03 2.75 -1.32 5.17 0.00 -1.26 -4.24 121.76 122.82 1rby s ALA 38 Ca 0.01 0.25 0.00 0.00 0.00 0.00 0.00 51.96 52.22 1rby s ALA 38 Cb -0.05 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.87 1rby s ALA 38 CO -0.00 -0.92 0.00 0.00 0.00 0.00 0.00 175.76 174.84 1rby n ALA 39 N -2.42 -0.44 -2.80 0.00 0.00 -1.26 -5.00 120.51 108.59 1rby n ALA 39 Ca 0.08 0.13 -0.33 0.00 0.00 0.00 0.00 53.44 53.32 1rby n ALA 39 Cb 0.53 -1.74 -0.05 0.00 0.00 0.00 0.00 19.45 18.19 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 -2.76 5.31 0.49 0.00 -7.23 -1.26 -5.00 120.40 109.95 1rby s VAL 40 Ca 0.00 -0.07 0.17 0.00 -1.81 0.00 0.00 61.98 60.27 1rby s VAL 40 Cb 0.00 -3.60 0.24 0.00 0.56 0.00 0.00 36.38 33.58 1rby s VAL 40 CO 0.00 0.21 2.08 0.00 -0.31 0.00 0.00 175.10 177.09 1rby h ALA 41 N 3.41 1.78 -0.85 1.32 0.00 -1.79 -1.98 119.26 121.16 1rby h ALA 41 Ca -0.47 -0.08 0.13 0.00 0.00 0.00 0.00 54.91 54.48 1rby h ALA 41 Cb 1.18 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.89 1rby h ALA 41 CO 0.71 0.11 0.55 0.78 0.00 0.00 0.00 179.25 181.41 1rby h GLY 42 N 0.30 1.10 1.09 0.00 0.00 -0.72 -1.84 103.07 103.00 1rby h GLY 42 Ca -0.00 -0.29 -0.11 0.00 0.00 0.00 0.00 47.33 46.93 1rby h GLY 42 CO 0.01 0.11 -0.11 1.41 0.00 0.00 0.00 176.54 177.96 1rby h LEU 43 N 0.67 1.02 -0.70 3.11 3.38 -1.61 -1.78 115.31 119.39 1rby h LEU 43 Ca 0.42 -0.35 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 1rby h LEU 43 Cb 0.66 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 1rby h LEU 43 CO -0.18 1.13 0.21 0.44 0.09 0.00 0.00 178.44 180.13 1rby h ASP 44 N 0.89 1.03 -0.72 -0.43 3.32 -1.46 -1.49 116.42 117.55 1rby h ASP 44 Ca 0.14 -0.22 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 1rby h ASP 44 Cb 0.68 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.92 1rby h ASP 44 CO 0.05 0.97 0.45 0.11 -1.72 0.00 0.00 179.24 179.10 1rby h LYS 45 N 1.04 0.97 -0.13 3.56 1.57 -1.18 0.72 116.57 123.12 1rby h LYS 45 Ca 0.22 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1rby h LYS 45 Cb 0.32 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1rby h LYS 45 CO -0.00 0.68 0.06 0.00 -0.57 0.00 0.00 179.45 179.61 1rby h ALA 46 N 1.24 0.17 -0.67 3.86 0.00 -1.08 -2.24 119.26 120.55 1rby h ALA 46 Ca 0.26 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 1rby h ALA 46 Cb -0.06 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1rby h ALA 46 CO -0.05 -0.27 0.09 0.93 0.00 0.00 0.00 179.25 179.95 1rby h GLU 47 N 0.08 1.11 0.00 0.00 5.08 -1.02 -1.10 114.58 118.74 1rby h GLU 47 Ca 0.04 -0.31 -0.02 0.00 -1.00 0.00 0.00 59.36 58.08 1rby h GLU 47 Cb 0.12 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 1rby h GLU 47 CO -0.01 1.03 -0.08 0.00 -1.00 0.00 0.00 179.01 178.96 1rby h ARG 48 N 1.04 0.00 -0.01 2.33 3.08 -0.80 -0.90 114.38 119.12 1rby h ARG 48 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 1rby h ARG 48 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.51 1rby h ARG 48 CO 0.02 0.08 -0.11 0.00 -1.07 0.00 0.00 179.97 178.88 1rby n ALA 49 N -2.35 2.79 -2.27 0.04 0.00 -0.81 -4.93 120.51 112.98 1rby n ALA 49 Ca -0.02 -0.31 -0.06 0.00 0.00 0.00 0.00 53.44 53.05 1rby n ALA 49 Cb 0.17 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.33 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 1.26 0.25 3.42 0.00 0.00 -0.34 -5.05 105.19 104.72 1rby n GLY 50 Ca 0.15 -0.61 -0.33 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.47 3.30 0.61 -0.61 1.01 -0.48 -5.02 121.20 117.55 1rby s ILE 51 Ca 0.04 -0.57 -0.19 0.00 0.00 0.00 0.00 60.65 59.92 1rby s ILE 51 Cb -0.02 -2.40 -0.02 0.00 0.01 0.00 0.00 42.46 40.03 1rby s ILE 51 CO 0.05 0.52 1.30 -2.84 0.00 0.00 0.00 174.94 173.96 1rby s PRO 52 N 0.28 2.77 0.08 2.79 0.02 -1.26 -3.84 135.00 135.84 1rby s PRO 52 Ca -0.08 2.07 0.06 0.00 0.02 0.00 0.00 61.00 63.08 1rby s PRO 52 Cb -0.15 -1.96 -0.03 0.00 0.02 0.00 0.00 34.50 32.37 1rby s PRO 52 CO 0.05 -1.43 -0.16 0.95 -0.33 0.00 0.00 177.00 176.07 1rby s THR 53 N -1.40 1.29 0.06 0.99 -4.23 -1.26 -1.80 115.64 109.29 1rby s THR 53 Ca 0.79 -1.40 0.05 0.00 -1.18 0.00 0.00 61.69 59.95 1rby s THR 53 Cb -0.37 -1.23 -0.03 0.00 1.34 0.00 0.00 72.50 72.21 1rby s THR 53 CO 0.41 -0.19 -0.14 -0.13 -0.54 0.00 0.00 174.62 174.03 1rby s ARG 54 N -1.84 0.83 -0.25 3.99 1.81 -0.54 -4.97 118.95 117.98 1rby s ARG 54 Ca 0.01 -0.88 -0.02 0.00 -1.72 0.00 0.00 55.73 53.11 1rby s ARG 54 Cb -0.10 -0.83 0.02 0.00 -0.45 0.00 0.00 34.95 33.60 1rby s ARG 54 CO 0.03 0.19 -0.04 0.08 -0.68 0.00 0.00 175.30 174.88 1rby s VAL 55 N -1.15 3.05 -0.41 3.52 1.01 -1.26 -0.81 120.40 124.35 1rby s VAL 55 Ca -0.01 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.03 1rby s VAL 55 Cb -0.09 -2.54 0.11 0.00 0.00 0.00 0.00 36.38 33.86 1rby s VAL 55 CO 0.02 0.20 0.17 -0.63 0.00 0.00 0.00 175.10 174.87 1rby s ILE 56 N 1.36 2.90 -0.38 2.22 1.01 0.30 -4.98 121.20 123.62 1rby s ILE 56 Ca 0.01 -2.36 -0.29 0.00 0.00 0.00 0.00 60.65 58.02 1rby s ILE 56 Cb -0.16 -3.03 -0.00 0.00 0.01 0.00 0.00 42.46 39.28 1rby s ILE 56 CO -0.04 -0.69 1.55 0.21 0.00 0.00 0.00 174.94 175.98 1rby s ASN 57 N 1.20 6.17 0.53 3.58 3.84 -1.26 -4.14 114.94 124.86 1rby s ASN 57 Ca 0.11 1.00 0.24 0.00 0.21 0.00 0.00 52.86 54.41 1rby s ASN 57 Cb -0.21 -2.53 1.47 0.00 -0.55 0.00 0.00 41.25 39.42 1rby s ASN 57 CO -0.05 -1.54 2.13 1.12 -2.79 0.00 0.00 177.10 175.97 1rby h HIS 58 N 11.50 0.00 0.00 0.43 2.07 -1.94 -1.89 115.15 125.32 1rby h HIS 58 Ca -0.30 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.22 1rby h HIS 58 Cb 1.13 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.11 1rby h HIS 58 CO 0.97 0.08 0.00 0.87 -3.07 0.00 0.00 177.93 176.77 1rby h LYS 59 N 0.00 0.00 -0.51 5.12 1.57 -1.90 -2.88 116.57 117.97 1rby h LYS 59 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1rby h LYS 59 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1rby h LYS 59 CO 0.01 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.17 1rby n LEU 60 N -2.58 2.72 -4.39 2.94 4.77 -0.71 -4.88 117.00 114.87 1rby n LEU 60 Ca -0.00 -1.36 -0.30 0.00 -0.03 0.00 0.00 56.01 54.32 1rby n LEU 60 Cb 0.15 -0.34 -0.13 0.00 -2.33 0.00 0.00 43.42 40.76 1rby n LEU 60 CO 0.18 0.67 -0.56 -0.31 -1.33 0.00 0.00 177.39 176.04 1rby s TYR 61 N -1.34 2.35 0.17 -1.77 2.02 -1.09 -5.05 117.35 112.64 1rby s TYR 61 Ca 0.34 -0.37 -0.06 0.00 -0.37 0.00 0.00 57.07 56.60 1rby s TYR 61 Cb 0.18 -1.32 0.04 0.00 -0.40 0.00 0.00 41.96 40.45 1rby s TYR 61 CO 0.23 0.26 1.48 0.87 -1.57 0.00 0.00 175.55 176.82 1rby h LYS 62 N 4.24 0.70 0.00 -0.62 1.57 -1.90 -3.47 116.57 117.08 1rby h LYS 62 Ca -0.49 -0.43 -0.29 0.00 -1.87 0.00 0.00 60.65 57.57 1rby h LYS 62 Cb 1.16 0.04 -0.08 0.00 0.08 0.00 0.00 32.23 33.44 1rby h LYS 62 CO 0.42 1.05 -0.25 0.27 -0.57 0.00 0.00 179.45 180.37 1rby n ASN 63 N -3.99 -0.73 -0.03 0.86 0.23 -1.26 -5.08 115.26 105.27 1rby n ASN 63 Ca -0.03 -2.53 -0.17 0.00 -0.53 0.00 0.00 54.58 51.31 1rby n ASN 63 Cb 0.60 1.51 -0.07 0.00 -2.08 0.00 0.00 39.78 39.74 1rby n ASN 63 CO 0.00 0.00 0.00 0.03 -0.93 0.00 0.00 177.26 176.36 1rby h ARG 64 N 0.00 0.79 -0.59 -3.83 3.08 -1.96 -3.00 114.38 108.87 1rby h ARG 64 Ca -0.18 -0.64 0.07 0.00 0.07 0.00 0.00 59.98 59.29 1rby h ARG 64 Cb 0.88 0.13 -0.06 0.00 0.08 0.00 0.00 29.97 31.01 1rby h ARG 64 CO 0.26 1.25 0.28 0.28 -1.07 0.00 0.00 179.97 180.97 1rby h VAL 65 N 0.53 0.88 -0.38 2.04 2.07 -1.97 0.17 116.25 119.59 1rby h VAL 65 Ca -0.05 -0.18 -0.07 0.00 0.82 0.00 0.00 66.70 67.22 1rby h VAL 65 Cb 1.39 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1rby h VAL 65 CO 0.16 0.09 -0.04 -0.33 0.02 0.00 0.00 177.57 177.47 1rby h GLU 66 N 0.52 0.70 0.21 1.57 5.08 -1.99 0.70 114.58 121.36 1rby h GLU 66 Ca 0.28 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1rby h GLU 66 Cb 0.25 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1rby h GLU 66 CO -0.22 0.82 -0.17 0.35 -1.00 0.00 0.00 179.01 178.79 1rby h PHE 67 N 0.51 -0.45 -0.77 4.33 3.57 -1.31 -1.95 116.94 120.87 1rby h PHE 67 Ca 0.10 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.68 1rby h PHE 67 Cb 0.54 0.17 -0.05 0.00 2.79 0.00 0.00 35.95 39.40 1rby h PHE 67 CO 0.04 -0.26 0.51 -0.44 -2.23 0.00 0.00 178.31 175.92 1rby h ASP 68 N -0.40 0.70 -0.60 0.41 3.32 -0.54 -1.61 116.42 117.70 1rby h ASP 68 Ca -0.01 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 1rby h ASP 68 Cb 0.36 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 1rby h ASP 68 CO -0.02 0.44 0.09 0.28 -1.72 0.00 0.00 179.24 178.31 1rby h SER 69 N 0.79 0.98 -0.72 6.45 0.02 -0.65 0.71 113.55 121.12 1rby h SER 69 Ca 0.34 -0.23 -0.05 0.00 -0.84 0.00 0.00 61.79 61.01 1rby h SER 69 Cb 0.30 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 1rby h SER 69 CO -0.12 0.98 0.26 0.00 -1.14 0.00 0.00 176.83 176.82 1rby h ALA 70 N 1.13 1.08 0.13 3.77 0.00 -0.52 -0.81 119.26 124.03 1rby h ALA 70 Ca 0.19 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1rby h ALA 70 Cb 0.43 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1rby h ALA 70 CO 0.01 0.64 -0.06 0.82 0.00 0.00 0.00 179.25 180.66 1rby h ILE 71 N 1.08 0.88 -1.00 0.00 2.04 -1.11 -3.12 117.51 116.28 1rby h ILE 71 Ca 0.24 -0.02 0.10 0.00 1.00 0.00 0.00 64.86 66.19 1rby h ILE 71 Cb 0.25 0.89 -0.08 0.00 -0.74 0.00 0.00 36.82 37.14 1rby h ILE 71 CO -0.01 0.00 0.63 -0.78 0.00 0.00 0.00 178.15 177.99 1rby h ASP 72 N -0.19 0.95 -0.27 1.72 3.58 -0.40 -1.27 116.42 120.56 1rby h ASP 72 Ca -0.02 0.04 0.03 0.00 0.42 0.00 0.00 57.03 57.50 1rby h ASP 72 Cb 0.14 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 41.01 1rby h ASP 72 CO 0.03 0.54 0.08 0.25 -2.88 0.00 0.00 179.24 177.26 1rby h LEU 73 N 1.04 0.08 -0.77 2.28 6.46 -1.13 0.33 115.31 123.61 1rby h LEU 73 Ca 0.48 0.03 -0.05 0.00 -0.12 0.00 0.00 57.88 58.22 1rby h LEU 73 Cb 0.40 0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.32 1rby h LEU 73 CO -0.24 0.08 0.28 0.58 -0.62 0.00 0.00 178.44 178.52 1rby h VAL 74 N 0.20 1.26 -0.62 1.05 2.07 -1.25 0.67 116.25 119.63 1rby h VAL 74 Ca 0.12 -0.85 0.01 0.00 0.82 0.00 0.00 66.70 66.80 1rby h VAL 74 Cb 0.09 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.21 1rby h VAL 74 CO -0.13 0.34 0.40 -0.07 0.02 0.00 0.00 177.57 178.14 1rby h LEU 75 N 1.12 0.69 -0.36 2.57 4.07 -0.73 -1.60 115.31 121.06 1rby h LEU 75 Ca 0.25 -0.01 -0.04 0.00 0.08 0.00 0.00 57.88 58.16 1rby h LEU 75 Cb 0.25 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 41.81 1rby h LEU 75 CO -0.02 0.49 0.09 -0.33 -1.08 0.00 0.00 178.44 177.60 1rby h GLU 76 N 0.82 0.58 -1.00 1.13 4.39 -0.61 -1.94 114.58 117.95 1rby h GLU 76 Ca 0.23 -0.14 0.21 0.00 0.34 0.00 0.00 59.36 60.00 1rby h GLU 76 Cb -0.07 -0.08 -0.11 0.00 -0.10 0.00 0.00 28.75 28.39 1rby h GLU 76 CO -0.06 0.62 0.60 0.93 -1.16 0.00 0.00 179.01 179.95 1rby h GLU 77 N 0.44 0.67 -0.64 2.33 5.08 -0.36 -0.72 114.58 121.38 1rby h GLU 77 Ca 0.11 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1rby h GLU 77 Cb 0.30 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1rby h GLU 77 CO 0.00 0.44 0.00 1.19 -1.00 0.00 0.00 179.01 179.65 1rby n PHE 78 N -4.82 1.15 -4.14 4.33 3.01 -0.65 -4.96 117.46 111.39 1rby n PHE 78 Ca 0.25 -0.49 -0.31 0.00 1.01 0.00 0.00 57.45 57.91 1rby n PHE 78 Cb 0.64 -0.14 -0.04 0.00 -0.01 0.00 0.00 39.48 39.93 1rby n PHE 78 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1rby n SER 79 N 1.10 -1.40 -4.75 4.37 7.64 -0.28 -4.90 113.62 115.42 1rby n SER 79 Ca 0.22 -1.06 -0.41 0.00 1.01 0.00 0.00 58.87 58.64 1rby n SER 79 Cb 0.70 -2.68 -0.04 0.00 -1.01 0.00 0.00 64.21 61.19 1rby n SER 79 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1rby s ILE 80 N -3.72 3.64 -0.24 0.44 -1.09 -0.78 -4.73 121.20 114.71 1rby s ILE 80 Ca 0.33 1.49 0.02 0.00 -2.23 0.00 0.00 60.65 60.26 1rby s ILE 80 Cb -0.18 -3.95 -0.18 0.00 -1.58 0.00 0.00 42.46 36.56 1rby s ILE 80 CO 0.93 0.29 -0.15 0.47 -1.23 0.00 0.00 174.94 175.25 1rby n ASP 81 N 1.93 1.90 -4.01 3.58 8.00 0.14 -4.93 116.55 123.16 1rby n ASP 81 Ca 0.02 -0.09 -0.18 0.00 0.71 0.00 0.00 54.79 55.24 1rby n ASP 81 Cb 0.45 -0.40 -0.15 0.00 -0.02 0.00 0.00 41.12 41.01 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 -2.52 0.68 -0.15 0.53 1.01 -0.92 -4.85 121.20 114.97 1rby s ILE 82 Ca -0.32 -0.36 -0.01 0.00 0.00 0.00 0.00 60.65 59.96 1rby s ILE 82 Cb 0.09 -0.58 -0.01 0.00 0.01 0.00 0.00 42.46 41.96 1rby s ILE 82 CO 0.63 0.20 -0.10 -0.69 0.00 0.00 0.00 174.94 174.98 1rby s VAL 83 N -0.12 3.24 -0.17 2.92 1.01 0.37 -1.49 120.40 126.17 1rby s VAL 83 Ca 0.02 -0.58 -0.04 0.00 0.00 0.00 0.00 61.98 61.38 1rby s VAL 83 Cb -0.04 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 1rby s VAL 83 CO -0.00 0.50 -0.03 0.00 0.00 0.00 0.00 175.10 175.57 1rby s LEU 85 N 0.51 4.43 -0.59 0.00 1.43 0.14 -0.85 118.68 123.76 1rby s LEU 85 Ca -0.03 -0.15 0.04 0.00 -1.03 0.00 0.00 54.13 52.96 1rby s LEU 85 Cb -0.14 -2.54 0.16 0.00 0.03 0.00 0.00 46.19 43.69 1rby s LEU 85 CO 0.03 -0.50 0.40 0.00 0.23 0.00 0.00 176.35 176.51 1rby s ALA 86 N 2.35 3.03 -0.49 4.21 0.00 -0.02 -2.84 121.76 128.00 1rby s ALA 86 Ca 0.17 -3.32 0.00 0.00 0.00 0.00 0.00 51.96 48.81 1rby s ALA 86 Cb -0.16 -2.01 0.00 0.00 0.00 0.00 0.00 23.12 20.96 1rby s ALA 86 CO 0.14 -2.06 0.00 0.41 0.00 0.00 0.00 175.76 174.25 1rby n GLY 87 N 2.48 0.60 3.69 0.00 0.00 -1.26 -4.42 105.19 106.29 1rby n GLY 87 Ca 0.19 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.20 3.38 -1.18 1.61 5.36 -1.26 -2.14 117.98 121.56 1rby s PHE 88 Ca 0.00 1.40 0.16 0.00 -0.96 0.00 0.00 56.93 57.53 1rby s PHE 88 Cb 0.00 -3.31 0.49 0.00 -0.34 0.00 0.00 43.02 39.86 1rby s PHE 88 CO 0.00 -0.81 1.41 -1.33 -1.46 0.00 0.00 175.22 173.03 1rby n MET 89 N 4.83 2.98 -4.01 10.12 2.81 -1.26 -4.91 117.12 127.66 1rby n MET 89 Ca 0.09 -2.43 -0.35 0.00 -1.81 0.00 0.00 57.70 53.20 1rby n MET 89 Cb 0.48 -1.50 -0.12 0.00 -0.71 0.00 0.00 33.22 31.36 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 -1.30 3.67 0.09 0.03 1.81 -1.26 -5.07 118.95 116.92 1rby s ARG 90 Ca 0.37 -0.49 -0.31 0.00 -1.72 0.00 0.00 55.73 53.58 1rby s ARG 90 Cb 0.21 -3.14 -0.08 0.00 -0.45 0.00 0.00 34.95 31.49 1rby s ARG 90 CO 0.21 0.01 1.50 0.42 -0.68 0.00 0.00 175.30 176.77 1rby s ILE 91 N 1.02 3.18 0.14 1.52 1.01 -1.26 -5.00 121.20 121.82 1rby s ILE 91 Ca 0.02 0.75 -0.13 0.00 0.00 0.00 0.00 60.65 61.29 1rby s ILE 91 Cb -0.14 -3.48 -0.07 0.00 0.01 0.00 0.00 42.46 38.78 1rby s ILE 91 CO 0.02 0.03 0.53 -0.76 0.00 0.00 0.00 174.94 174.76 1rby s LEU 92 N 1.83 4.33 0.72 2.97 1.43 -1.26 -5.04 118.68 123.66 1rby s LEU 92 Ca 0.68 1.03 -0.14 0.00 -1.03 0.00 0.00 54.13 54.67 1rby s LEU 92 Cb -0.38 -3.27 0.03 0.00 0.03 0.00 0.00 46.19 42.61 1rby s LEU 92 CO 0.30 0.10 1.14 -0.94 0.23 0.00 0.00 176.35 177.18 1rby s SER 93 N -1.77 4.53 0.12 2.29 1.04 -1.26 -4.83 113.70 113.81 1rby s SER 93 Ca 0.38 2.11 -0.27 0.00 0.48 0.00 0.00 55.95 58.65 1rby s SER 93 Cb -0.15 -2.56 -0.09 0.00 0.10 0.00 0.00 66.02 63.33 1rby s SER 93 CO 0.19 -2.03 1.46 1.23 0.98 0.00 0.00 173.24 175.07 1rby h GLY 94 N -0.40 -1.16 0.50 7.32 0.00 -1.97 -1.93 103.07 105.44 1rby h GLY 94 Ca -0.46 0.77 0.11 0.00 0.00 0.00 0.00 47.33 47.75 1rby h GLY 94 CO 0.51 -0.20 0.62 -2.55 0.00 0.00 0.00 176.54 174.93 1rby h PRO 95 N -0.26 0.97 -0.23 4.80 0.11 -1.99 0.40 132.00 135.80 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 0.47 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.35 1rby h PRO 95 CO -0.57 0.64 0.10 0.35 -0.21 0.00 0.00 178.00 178.32 1rby h PHE 96 N 1.00 0.33 -0.43 0.65 3.04 -1.88 -1.22 116.94 118.44 1rby h PHE 96 Ca 0.48 -0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.40 1rby h PHE 96 Cb 0.45 -0.10 -0.02 0.00 2.56 0.00 0.00 35.95 38.84 1rby h PHE 96 CO -0.01 0.34 0.19 0.28 -2.02 0.00 0.00 178.31 177.10 1rby h VAL 97 N 0.23 1.19 -0.37 1.41 2.07 -0.66 -1.64 116.25 118.49 1rby h VAL 97 Ca 0.08 -0.56 0.04 0.00 0.82 0.00 0.00 66.70 67.08 1rby h VAL 97 Cb 0.14 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 1rby h VAL 97 CO -0.01 0.21 0.14 1.56 0.02 0.00 0.00 177.57 179.49 1rby h GLN 98 N 0.55 0.30 -0.79 1.57 4.20 -0.95 -1.40 115.11 118.59 1rby h GLN 98 Ca 0.15 -0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.91 1rby h GLN 98 Cb 0.15 -0.07 -0.06 0.00 0.30 0.00 0.00 27.48 27.80 1rby h GLN 98 CO -0.02 0.20 0.47 -0.22 -0.67 0.00 0.00 178.83 178.59 1rby h LYS 99 N 0.31 0.81 -0.64 1.46 3.64 -0.79 -2.70 116.57 118.65 1rby h LYS 99 Ca 0.17 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1rby h LYS 99 Cb 0.13 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1rby h LYS 99 CO -0.16 0.53 0.00 0.91 -2.27 0.00 0.00 179.45 178.47 1rby n TRP 100 N -4.71 1.43 -1.69 1.91 7.02 -0.65 -4.99 117.44 115.76 1rby n TRP 100 Ca 0.12 -0.53 -0.44 0.00 -1.02 0.00 0.00 57.50 55.62 1rby n TRP 100 Cb 0.21 -0.30 -0.04 0.00 -2.42 0.00 0.00 31.31 28.76 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 0.75 3.68 0.00 -0.99 5.15 -0.55 -0.58 115.26 122.72 1rby n ASN 101 Ca 0.22 1.04 0.00 0.00 -0.60 0.00 0.00 54.58 55.24 1rby n ASN 101 Cb 0.87 -1.50 0.00 0.00 -0.53 0.00 0.00 39.78 38.61 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 3.90 0.98 0.00 8.20 0.00 -1.26 -4.81 105.19 112.19 1rby n GLY 102 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.03 -0.38 -4.47 1.61 4.76 0.25 -4.63 118.16 113.26 1rby n LYS 103 Ca 0.00 -0.30 -0.27 0.00 -2.87 0.00 0.00 58.31 54.87 1rby n LYS 103 Cb 0.00 -0.79 -0.17 0.00 -1.84 0.00 0.00 35.03 32.23 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 -0.03 2.00 0.08 1.97 1.75 -0.95 -0.48 119.30 123.64 1rby s MET 104 Ca 0.00 -0.49 0.09 0.00 -1.25 0.00 0.00 55.69 54.04 1rby s MET 104 Cb 0.00 -1.71 -0.03 0.00 2.84 0.00 0.00 34.83 35.93 1rby s MET 104 CO 0.00 -0.04 -0.23 -0.51 -0.65 0.00 0.00 175.02 173.58 1rby s LEU 105 N 0.93 2.39 0.07 4.11 1.43 0.80 -1.49 118.68 126.93 1rby s LEU 105 Ca -0.09 -0.59 0.08 0.00 -1.03 0.00 0.00 54.13 52.50 1rby s LEU 105 Cb -0.15 -1.36 -0.03 0.00 0.03 0.00 0.00 46.19 44.68 1rby s LEU 105 CO -0.00 0.22 -0.22 0.21 0.23 0.00 0.00 176.35 176.80 1rby s ASN 106 N -1.66 2.61 -0.25 2.29 2.47 -0.02 0.25 114.94 120.63 1rby s ASN 106 Ca 0.14 -0.61 -0.10 0.00 0.42 0.00 0.00 52.86 52.71 1rby s ASN 106 Cb -0.10 -0.19 -0.05 0.00 -1.45 0.00 0.00 41.25 39.47 1rby s ASN 106 CO 0.05 0.13 0.14 -0.51 -3.72 0.00 0.00 177.10 173.19 1rby s ILE 107 N -0.96 5.13 -0.11 -5.21 1.10 -1.13 -1.74 121.20 118.28 1rby s ILE 107 Ca 0.08 0.10 0.03 0.00 -0.51 0.00 0.00 60.65 60.35 1rby s ILE 107 Cb -0.09 -3.40 0.00 0.00 0.15 0.00 0.00 42.46 39.12 1rby s ILE 107 CO 0.03 0.33 -0.22 -2.28 -2.11 0.00 0.00 174.94 170.69 1rby s HIS 108 N 1.25 2.44 -0.09 3.50 5.65 0.76 -4.78 115.29 124.02 1rby s HIS 108 Ca 0.07 -1.05 -0.05 0.00 0.25 0.00 0.00 55.06 54.27 1rby s HIS 108 Cb -0.14 -1.65 -0.19 0.00 -1.18 0.00 0.00 32.58 29.41 1rby s HIS 108 CO 0.06 -0.45 3.40 -0.35 -0.65 0.00 0.00 174.74 176.74 1rby n PRO 109 N 3.71 2.04 -4.04 2.88 -0.04 -1.26 -0.37 135.00 137.91 1rby n PRO 109 Ca -0.20 -1.23 -0.10 0.00 -0.04 0.00 0.00 63.50 61.94 1rby n PRO 109 Cb 0.52 -1.99 -0.06 0.00 -0.04 0.00 0.00 33.50 31.93 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 1.67 0.01 -0.89 3.54 1.04 -0.64 -4.57 113.70 113.86 1rby s SER 110 Ca 0.63 -1.05 -0.22 0.00 0.48 0.00 0.00 55.95 55.79 1rby s SER 110 Cb 0.32 0.55 0.08 0.00 0.10 0.00 0.00 66.02 67.07 1rby s SER 110 CO -0.04 -1.09 1.22 -0.76 0.98 0.00 0.00 173.24 173.55 1rby s LEU 111 N -3.06 4.21 0.50 2.42 1.43 -1.24 -2.73 118.68 120.21 1rby s LEU 111 Ca 0.26 -1.48 -0.23 0.00 -1.03 0.00 0.00 54.13 51.65 1rby s LEU 111 Cb 0.01 -2.48 -0.07 0.00 0.03 0.00 0.00 46.19 43.68 1rby s LEU 111 CO 0.10 -1.36 1.31 0.18 0.23 0.00 0.00 176.35 176.81 1rby n LEU 112 N 7.84 4.87 -0.15 1.79 4.77 -1.26 -1.73 117.00 133.13 1rby n LEU 112 Ca 0.20 1.02 0.06 0.00 -0.03 0.00 0.00 56.01 57.26 1rby n LEU 112 Cb 0.49 -1.54 0.29 0.00 -2.33 0.00 0.00 43.42 40.32 1rby n LEU 112 CO 0.60 -0.65 0.69 -0.81 -1.33 0.00 0.00 177.39 175.90 1rby n PRO 113 N -0.58 1.19 -2.33 3.23 -0.04 -1.26 -5.10 135.00 130.12 1rby n PRO 113 Ca 0.09 -0.29 -0.36 0.00 -0.04 0.00 0.00 63.50 62.89 1rby n PRO 113 Cb 0.43 -1.20 -0.01 0.00 -0.04 0.00 0.00 33.50 32.68 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 -1.31 6.17 -1.22 3.54 0.01 -0.71 -4.30 113.70 115.89 1rby s SER 114 Ca 0.18 2.20 -0.08 0.00 1.31 0.00 0.00 55.95 59.57 1rby s SER 114 Cb 0.09 -2.59 -0.01 0.00 0.21 0.00 0.00 66.02 63.71 1rby s SER 114 CO 0.14 -0.91 0.74 0.49 0.41 0.00 0.00 173.24 174.11 1rby n PHE 115 N -0.65 -1.97 -1.81 2.43 3.72 -1.26 -4.47 117.46 113.46 1rby n PHE 115 Ca 0.08 0.71 -0.34 0.00 -0.05 0.00 0.00 57.45 57.84 1rby n PHE 115 Cb 0.49 -3.98 0.05 0.00 -0.94 0.00 0.00 39.48 35.10 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 -5.80 2.75 0.00 -1.08 1.02 -1.26 -4.56 119.74 110.80 1rby s LYS 116 Ca 0.22 1.65 0.00 0.00 0.02 0.00 0.00 55.97 57.86 1rby s LYS 116 Cb -0.06 -1.92 0.00 0.00 -0.52 0.00 0.00 37.83 35.33 1rby s LYS 116 CO 0.82 -1.34 0.00 0.41 -0.92 0.00 0.00 175.35 174.32 1rby n GLY 117 N 0.12 1.35 0.03 -3.33 0.00 -1.26 -4.80 105.19 97.29 1rby n GLY 117 Ca 0.12 -2.04 0.14 0.00 0.00 0.00 0.00 46.02 44.24 1rby n GLY 117 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1rby n SER 118 N 0.00 0.22 -2.54 1.61 3.41 -1.26 -3.47 113.62 111.60 1rby n SER 118 Ca 0.00 0.50 -0.30 0.00 -0.26 0.00 0.00 58.87 58.81 1rby n SER 118 Cb 0.00 -0.55 0.01 0.00 -0.26 0.00 0.00 64.21 63.41 1rby n SER 118 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1rby n ASN 119 N -1.69 5.44 -0.34 4.04 6.94 -1.26 -4.85 115.26 123.53 1rby n ASN 119 Ca 0.07 -3.75 -0.01 0.00 -0.02 0.00 0.00 54.58 50.87 1rby n ASN 119 Cb 0.36 -0.60 0.13 0.00 -2.36 0.00 0.00 39.78 37.31 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 2.62 1.24 -0.40 -2.53 0.00 -1.80 -2.42 119.26 115.98 1rby h ALA 120 Ca 0.37 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 1rby h ALA 120 Cb 0.77 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1rby h ALA 120 CO 0.99 0.47 0.15 0.45 0.00 0.00 0.00 179.25 181.32 1rby h HIS 121 N 1.17 0.61 -0.69 0.00 3.86 -1.89 0.72 115.15 118.93 1rby h HIS 121 Ca 0.37 -0.05 0.05 0.00 -1.16 0.00 0.00 60.37 59.58 1rby h HIS 121 Cb 0.01 -0.18 -0.05 0.00 1.06 0.00 0.00 27.41 28.25 1rby h HIS 121 CO -0.01 0.54 0.40 1.49 0.86 0.00 0.00 177.93 181.22 1rby h GLU 122 N 0.49 0.74 -0.38 2.45 4.81 -1.88 -0.86 114.58 119.96 1rby h GLU 122 Ca 0.13 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 1rby h GLU 122 Cb 0.20 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 1rby h GLU 122 CO -0.01 0.49 0.15 1.96 -0.73 0.00 0.00 179.01 180.86 1rby h GLN 123 N 0.76 0.57 -0.32 1.92 4.20 -1.19 -1.25 115.11 119.80 1rby h GLN 123 Ca 0.29 -0.11 0.03 0.00 0.06 0.00 0.00 58.65 58.92 1rby h GLN 123 Cb 0.12 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.78 1rby h GLN 123 CO -0.15 0.55 0.15 0.00 -0.67 0.00 0.00 178.83 178.71 1rby h ALA 124 N 0.99 0.39 -0.48 3.87 0.00 -0.41 -0.90 119.26 122.73 1rby h ALA 124 Ca 0.13 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1rby h ALA 124 Cb 0.20 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1rby h ALA 124 CO -0.01 -0.23 0.20 -0.07 0.00 0.00 0.00 179.25 179.14 1rby h LEU 125 N 0.32 0.65 -0.61 0.00 3.38 -1.14 -1.07 115.31 116.83 1rby h LEU 125 Ca 0.14 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 57.97 1rby h LEU 125 Cb 0.06 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 1rby h LEU 125 CO -0.11 0.64 0.38 -0.08 0.09 0.00 0.00 178.44 179.36 1rby h GLU 126 N 0.63 0.74 -0.17 1.13 4.81 -1.00 -2.96 114.58 117.75 1rby h GLU 126 Ca 0.16 -0.04 -0.15 0.00 -0.13 0.00 0.00 59.36 59.19 1rby h GLU 126 Cb 0.18 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 1rby h GLU 126 CO -0.01 0.49 -0.53 1.15 -0.73 0.00 0.00 179.01 179.38 1rby h THR 127 N 0.76 1.33 0.00 0.32 2.02 -1.09 -3.48 112.91 112.77 1rby h THR 127 Ca 0.24 -1.77 0.00 0.00 0.77 0.00 0.00 66.41 65.65 1rby h THR 127 Cb -0.01 1.76 0.00 0.00 -1.74 0.00 0.00 68.15 68.16 1rby h THR 127 CO -0.09 0.55 0.00 0.61 0.37 0.00 0.00 175.52 176.96 1rby n GLY 128 N 0.19 1.08 3.76 2.16 0.00 -0.41 -5.06 105.19 106.90 1rby n GLY 128 Ca -0.03 -0.43 -0.38 0.00 0.00 0.00 0.00 46.02 45.19 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 2.37 -1.21 1.61 -7.23 -1.18 -4.93 120.40 107.84 1rby s VAL 129 Ca 0.00 0.28 0.22 0.00 -1.81 0.00 0.00 61.98 60.67 1rby s VAL 129 Cb 0.00 -3.14 -0.12 0.00 0.56 0.00 0.00 36.38 33.68 1rby s VAL 129 CO 0.00 -0.00 1.06 0.35 -0.31 0.00 0.00 175.10 176.20 1rby n THR 130 N -0.89 0.00 -3.92 5.32 -2.24 -1.26 -4.76 114.28 106.53 1rby n THR 130 Ca 0.10 -0.05 -0.22 0.00 -2.27 0.00 0.00 64.05 61.61 1rby n THR 130 Cb 0.46 0.87 -0.17 0.00 -2.10 0.00 0.00 70.33 69.39 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 -2.89 0.45 0.00 2.28 1.01 -1.26 -0.62 120.40 119.37 1rby s VAL 131 Ca 0.11 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.11 1rby s VAL 131 Cb 0.17 -0.55 0.00 0.00 0.00 0.00 0.00 36.38 35.99 1rby s VAL 131 CO 0.77 0.25 0.00 1.07 0.00 0.00 0.00 175.10 177.19 1rby n THR 132 N 4.70 0.00 -2.98 3.92 5.66 -0.37 -4.93 114.28 120.28 1rby n THR 132 Ca -0.15 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.85 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 3.31 -0.52 3.13 1.09 0.00 -1.26 -0.07 105.19 110.87 1rby n GLY 133 Ca 0.00 -0.92 -0.08 0.00 0.00 0.00 0.00 46.02 45.03 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 -3.93 -0.05 -0.21 0.00 2.01 0.50 -1.54 115.64 112.42 1rby s THR 135 Ca 0.10 0.17 -0.09 0.00 0.31 0.00 0.00 61.69 62.18 1rby s THR 135 Cb 0.07 -0.08 -0.05 0.00 0.01 0.00 0.00 72.50 72.45 1rby s THR 135 CO -0.08 0.07 0.12 -0.69 -0.69 0.00 0.00 174.62 173.35 1rby s VAL 136 N 0.88 5.13 0.03 3.82 1.01 0.10 -0.17 120.40 131.20 1rby s VAL 136 Ca -0.07 0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.01 1rby s VAL 136 Cb -0.10 -3.36 -0.02 0.00 0.00 0.00 0.00 36.38 32.90 1rby s VAL 136 CO -0.03 0.40 -0.05 -1.38 0.00 0.00 0.00 175.10 174.05 1rby s HIS 137 N 0.70 0.42 0.54 5.22 -0.00 -0.71 -0.40 115.29 121.06 1rby s HIS 137 Ca 0.06 -0.51 -0.22 0.00 -0.00 0.00 0.00 55.06 54.39 1rby s HIS 137 Cb -0.13 -0.27 -0.05 0.00 -0.00 0.00 0.00 32.58 32.13 1rby s HIS 137 CO 0.01 -0.15 1.37 -0.06 -0.00 0.00 0.00 174.74 175.92 1rby s PHE 138 N -1.40 2.28 -0.19 0.38 0.08 0.08 -0.84 117.98 118.38 1rby s PHE 138 Ca -0.13 1.35 -0.22 0.00 0.12 0.00 0.00 56.93 58.05 1rby s PHE 138 Cb -0.10 -3.83 -0.02 0.00 -0.57 0.00 0.00 43.02 38.50 1rby s PHE 138 CO -0.00 -2.95 0.68 0.08 -0.10 0.00 0.00 175.22 172.93 1rby s VAL 139 N -1.29 4.99 0.39 -0.44 1.01 -0.55 -3.56 120.40 120.95 1rby s VAL 139 Ca 0.71 1.31 0.08 0.00 0.00 0.00 0.00 61.98 64.07 1rby s VAL 139 Cb -0.41 -4.00 -0.05 0.00 0.00 0.00 0.00 36.38 31.92 1rby s VAL 139 CO 0.49 0.09 0.17 0.00 0.00 0.00 0.00 175.10 175.86 1rby s ALA 140 N 1.93 3.56 0.16 5.51 0.00 -1.26 -4.78 121.76 126.88 1rby s ALA 140 Ca 0.31 -2.01 -0.21 0.00 0.00 0.00 0.00 51.96 50.05 1rby s ALA 140 Cb -0.16 -0.51 0.06 0.00 0.00 0.00 0.00 23.12 22.51 1rby s ALA 140 CO 0.11 -0.10 1.64 1.49 0.00 0.00 0.00 175.76 178.89 1rby h GLU 141 N 1.46 -0.17 -6.41 0.00 4.81 -1.93 -3.39 114.58 108.95 1rby h GLU 141 Ca -0.43 0.01 -0.54 0.00 -0.13 0.00 0.00 59.36 58.28 1rby h GLU 141 Cb 1.25 0.04 0.02 0.00 0.63 0.00 0.00 28.75 30.69 1rby h GLU 141 CO 0.67 -0.11 1.03 0.34 -0.73 0.00 0.00 179.01 180.21 1rby s ASP 142 N -5.09 6.60 0.17 1.04 -1.08 -1.26 -4.91 116.67 112.14 1rby s ASP 142 Ca -0.14 2.46 -0.33 0.00 -0.52 0.00 0.00 52.55 54.02 1rby s ASP 142 Cb 0.13 -2.56 -0.13 0.00 -1.46 0.00 0.00 42.92 38.91 1rby s ASP 142 CO 0.69 -0.91 1.68 0.52 0.52 0.00 0.00 175.17 177.67 1rby n VAL 143 N 4.93 0.05 -3.09 1.11 0.31 -1.26 -2.38 118.33 117.99 1rby n VAL 143 Ca 0.16 -0.01 -0.22 0.00 -0.01 0.00 0.00 64.34 64.27 1rby n VAL 143 Cb 0.41 -1.82 0.01 0.00 -0.91 0.00 0.00 33.84 31.54 1rby n VAL 143 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1rby n ASP 144 N 3.99 -4.83 0.00 4.52 8.00 -1.26 -4.82 116.55 122.14 1rby n ASP 144 Ca 0.17 -0.27 0.00 0.00 0.71 0.00 0.00 54.79 55.39 1rby n ASP 144 Cb 0.32 -3.96 0.00 0.00 -0.02 0.00 0.00 41.12 37.46 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 -3.35 1.39 -1.52 2.24 0.00 -1.00 -4.95 120.51 113.32 1rby n ALA 145 Ca -0.08 -0.59 -0.29 0.00 0.00 0.00 0.00 53.44 52.48 1rby n ALA 145 Cb 0.59 0.00 0.17 0.00 0.00 0.00 0.00 19.45 20.21 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 -0.33 1.63 0.19 0.00 0.00 -1.25 -4.89 107.32 102.66 1rby s GLY 146 Ca 0.00 -0.79 -0.31 0.00 0.00 0.00 0.00 44.72 43.62 1rby s GLY 146 CO 0.00 -0.10 1.43 1.20 0.00 0.00 0.00 173.10 175.63 1rby s GLN 147 N -5.46 4.29 0.00 2.90 -1.52 -1.23 -4.65 119.66 113.99 1rby s GLN 147 Ca 0.68 2.22 -0.30 0.00 -1.95 0.00 0.00 55.36 56.01 1rby s GLN 147 Cb -0.11 -3.16 -0.04 0.00 -0.22 0.00 0.00 33.01 29.48 1rby s GLN 147 CO 0.54 -0.44 1.07 0.42 -0.25 0.00 0.00 175.29 176.63 1rby s ILE 148 N 0.51 4.55 -0.15 1.08 1.01 -1.26 -0.74 121.20 126.21 1rby s ILE 148 Ca 0.62 1.83 -0.14 0.00 0.00 0.00 0.00 60.65 62.97 1rby s ILE 148 Cb -0.40 -4.18 -0.05 0.00 0.01 0.00 0.00 42.46 37.85 1rby s ILE 148 CO 0.37 0.12 -0.27 -0.38 0.00 0.00 0.00 174.94 174.78 1rby n ILE 149 N 4.03 1.29 -4.17 2.92 5.41 0.47 -4.93 119.36 124.37 1rby n ILE 149 Ca 0.08 0.20 -0.11 0.00 1.00 0.00 0.00 62.75 63.92 1rby n ILE 149 Cb 0.49 -2.25 -0.10 0.00 -0.71 0.00 0.00 39.64 37.07 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 -7.59 2.50 0.00 1.39 1.43 -1.12 -5.01 118.68 110.29 1rby s LEU 150 Ca -0.22 -0.99 -0.09 0.00 -1.03 0.00 0.00 54.13 51.80 1rby s LEU 150 Cb 0.03 -0.11 0.01 0.00 0.03 0.00 0.00 46.19 46.14 1rby s LEU 150 CO 0.33 -0.44 0.18 -1.10 0.23 0.00 0.00 176.35 175.55 1rby s GLN 151 N -3.72 0.54 -0.03 1.70 -0.21 -1.26 -0.73 119.66 115.96 1rby s GLN 151 Ca 0.11 -0.38 0.00 0.00 0.02 0.00 0.00 55.36 55.11 1rby s GLN 151 Cb 0.04 0.23 0.03 0.00 1.00 0.00 0.00 33.01 34.31 1rby s GLN 151 CO -0.04 -0.14 -0.00 -2.00 -2.12 0.00 0.00 175.29 170.99 1rby s GLU 152 N -1.50 0.35 0.30 2.91 2.12 -0.59 -5.00 118.70 117.29 1rby s GLU 152 Ca -0.14 0.06 -0.28 0.00 0.36 0.00 0.00 54.97 54.98 1rby s GLU 152 Cb -0.06 -0.52 -0.09 0.00 0.26 0.00 0.00 34.13 33.71 1rby s GLU 152 CO 0.02 -0.14 0.97 0.00 -0.54 0.00 0.00 175.26 175.57 1rby s ALA 153 N 1.04 3.26 -0.04 6.30 0.00 -1.26 -1.19 121.76 129.87 1rby s ALA 153 Ca -0.10 0.62 0.01 0.00 0.00 0.00 0.00 51.96 52.49 1rby s ALA 153 Cb -0.14 -3.22 0.02 0.00 0.00 0.00 0.00 23.12 19.79 1rby s ALA 153 CO -0.02 0.10 -0.02 0.08 0.00 0.00 0.00 175.76 175.91 1rby s VAL 154 N -1.42 0.32 0.49 0.00 1.01 0.90 -4.89 120.40 116.81 1rby s VAL 154 Ca 0.47 0.00 -0.23 0.00 0.00 0.00 0.00 61.98 62.22 1rby s VAL 154 Cb -0.23 -0.39 -0.07 0.00 0.00 0.00 0.00 36.38 35.69 1rby s VAL 154 CO 0.29 0.18 1.31 -2.16 0.00 0.00 0.00 175.10 174.71 1rby s PRO 155 N 1.00 3.52 -0.19 2.72 0.04 -1.26 -1.24 135.00 139.59 1rby s PRO 155 Ca -0.10 2.12 -0.13 0.00 0.04 0.00 0.00 61.00 62.93 1rby s PRO 155 Cb -0.14 -2.44 -0.05 0.00 0.04 0.00 0.00 34.50 31.92 1rby s PRO 155 CO -0.01 -0.85 0.26 0.08 0.04 0.00 0.00 177.00 176.52 1rby s VAL 156 N -1.35 5.31 0.01 -0.36 1.01 0.21 -4.81 120.40 120.42 1rby s VAL 156 Ca 0.65 0.45 -0.17 0.00 0.00 0.00 0.00 61.98 62.91 1rby s VAL 156 Cb -0.37 -3.60 -0.06 0.00 0.00 0.00 0.00 36.38 32.35 1rby s VAL 156 CO 0.46 0.36 0.48 -0.54 0.00 0.00 0.00 175.10 175.85 1rby s LYS 157 N 0.77 4.08 0.12 2.72 1.02 -1.26 -4.81 119.74 122.37 1rby s LYS 157 Ca 0.14 0.54 -0.34 0.00 0.02 0.00 0.00 55.97 56.32 1rby s LYS 157 Cb -0.13 -3.26 -0.14 0.00 -0.52 0.00 0.00 37.83 33.78 1rby s LYS 157 CO 0.04 0.59 1.59 0.54 -0.92 0.00 0.00 175.35 177.19 1rby n ARG 158 N 2.06 2.02 -0.67 1.68 1.74 -1.26 -1.38 116.66 120.85 1rby n ARG 158 Ca -0.12 0.73 0.00 0.00 -0.77 0.00 0.00 57.85 57.69 1rby n ARG 158 Cb 0.52 -2.49 0.00 0.00 -1.02 0.00 0.00 32.46 29.46 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 3.44 0.77 3.54 -0.13 0.00 -1.26 -5.04 105.19 106.51 1rby n GLY 159 Ca 0.18 0.00 -0.41 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 0.22 -4.92 1.61 8.00 -0.48 -5.05 116.55 115.93 1rby n ASP 160 Ca 0.00 0.94 -0.25 0.00 0.71 0.00 0.00 54.79 56.19 1rby n ASP 160 Cb 0.00 -1.25 0.00 0.00 -0.02 0.00 0.00 41.12 39.85 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 -1.40 1.81 0.20 -3.53 -4.23 -1.26 -4.95 115.64 102.27 1rby s THR 161 Ca 0.65 -1.39 -0.11 0.00 -1.18 0.00 0.00 61.69 59.65 1rby s THR 161 Cb -0.55 -2.21 0.12 0.00 1.34 0.00 0.00 72.50 71.20 1rby s THR 161 CO 0.56 0.00 1.85 0.58 -0.54 0.00 0.00 174.62 177.07 1rby h VAL 162 N 0.67 1.11 -0.15 2.29 2.07 -1.97 -1.46 116.25 118.81 1rby h VAL 162 Ca -0.36 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 66.88 1rby h VAL 162 Cb 1.30 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 1rby h VAL 162 CO 0.54 0.15 0.09 0.00 0.02 0.00 0.00 177.57 178.38 1rby h ALA 163 N 1.27 0.20 -0.52 1.67 0.00 -1.98 0.14 119.26 120.03 1rby h ALA 163 Ca 0.25 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.01 1rby h ALA 163 Cb -0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1rby h ALA 163 CO -0.09 -0.30 -0.16 1.79 0.00 0.00 0.00 179.25 180.50 1rby h THR 164 N 0.18 1.27 -0.35 0.00 1.35 -1.90 -1.92 112.91 111.54 1rby h THR 164 Ca 0.06 -1.32 -0.10 0.00 -0.55 0.00 0.00 66.41 64.50 1rby h THR 164 Cb 0.02 1.03 -0.01 0.00 -1.73 0.00 0.00 68.15 67.46 1rby h THR 164 CO -0.01 0.46 -0.16 0.25 -0.25 0.00 0.00 175.52 175.81 1rby h LEU 165 N 0.89 0.74 -0.24 3.87 5.85 -1.23 -2.53 115.31 122.66 1rby h LEU 165 Ca 0.13 -0.40 0.04 0.00 0.84 0.00 0.00 57.88 58.48 1rby h LEU 165 Cb 0.73 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.52 1rby h LEU 165 CO 0.06 0.98 0.02 -1.28 -0.34 0.00 0.00 178.44 177.88 1rby h SER 166 N 0.50 -0.05 -0.80 1.25 0.87 -0.64 -1.02 113.55 113.65 1rby h SER 166 Ca 0.08 0.05 0.03 0.00 -1.23 0.00 0.00 61.79 60.71 1rby h SER 166 Cb 0.70 0.08 -0.05 0.00 -0.44 0.00 0.00 62.40 62.69 1rby h SER 166 CO 0.05 0.00 0.52 -0.33 -0.53 0.00 0.00 176.83 176.54 1rby h GLU 167 N 0.10 0.99 -0.57 2.24 4.39 -1.31 0.02 114.58 120.45 1rby h GLU 167 Ca 0.11 -0.06 -0.07 0.00 0.34 0.00 0.00 59.36 59.68 1rby h GLU 167 Cb 0.13 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.54 1rby h GLU 167 CO -0.18 0.65 0.08 -0.09 -1.16 0.00 0.00 179.01 178.31 1rby h ARG 168 N 1.02 0.95 -0.49 2.33 2.43 -1.12 -3.02 114.38 116.48 1rby h ARG 168 Ca 0.32 -0.26 -0.11 0.00 -0.81 0.00 0.00 59.98 59.11 1rby h ARG 168 Cb -0.02 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 1rby h ARG 168 CO -0.10 0.91 -0.14 0.28 -1.51 0.00 0.00 179.97 179.41 1rby h VAL 169 N 0.84 1.27 -0.66 0.20 2.07 -0.87 -2.99 116.25 116.11 1rby h VAL 169 Ca 0.17 -1.28 0.07 0.00 0.82 0.00 0.00 66.70 66.48 1rby h VAL 169 Cb 0.44 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 1rby h VAL 169 CO 0.01 0.44 0.44 0.11 0.02 0.00 0.00 177.57 178.59 1rby h LYS 170 N 0.83 0.61 -0.64 1.57 1.57 -0.90 -0.42 116.57 119.19 1rby h LYS 170 Ca 0.12 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1rby h LYS 170 Cb 0.69 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.83 1rby h LYS 170 CO 0.05 0.40 0.37 -0.07 -0.57 0.00 0.00 179.45 179.63 1rby h LEU 171 N 0.63 0.78 -0.11 2.94 3.38 -1.40 -1.21 115.31 120.32 1rby h LEU 171 Ca 0.29 -0.05 -0.24 0.00 0.09 0.00 0.00 57.88 57.97 1rby h LEU 171 Cb 0.33 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 40.89 1rby h LEU 171 CO -0.09 0.62 -0.95 0.00 0.09 0.00 0.00 178.44 178.10 1rby h ALA 172 N 1.51 0.26 -0.79 1.53 0.00 -1.26 -3.24 119.26 117.28 1rby h ALA 172 Ca 0.23 -0.68 0.14 0.00 0.00 0.00 0.00 54.91 54.60 1rby h ALA 172 Cb -0.00 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.71 1rby h ALA 172 CO -0.04 0.73 0.36 0.93 0.00 0.00 0.00 179.25 181.23 1rby h GLU 173 N 0.35 0.50 0.00 0.00 5.08 -0.54 -0.88 114.58 119.09 1rby h GLU 173 Ca -0.10 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1rby h GLU 173 Cb 1.59 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.73 1rby h GLU 173 CO 0.18 0.33 0.00 0.72 -1.00 0.00 0.00 179.01 179.24 1rby n HIS 174 N -4.95 0.55 -0.10 4.33 8.25 -0.51 -1.23 115.22 121.56 1rby n HIS 174 Ca 0.15 0.21 -0.18 0.00 -0.26 0.00 0.00 57.72 57.64 1rby n HIS 174 Cb 0.42 -0.84 -0.09 0.00 1.12 0.00 0.00 29.99 30.60 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 -2.00 0.54 0.10 -0.41 5.02 -0.41 -4.49 118.16 116.51 1rby n LYS 175 Ca 0.03 0.52 0.02 0.00 -2.02 0.00 0.00 58.31 56.85 1rby n LYS 175 Cb 0.22 -1.69 -0.02 0.00 -0.02 0.00 0.00 35.03 33.52 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 0.75 0.32 -0.18 3.07 -1.12 -3.00 117.51 116.35 1rby h ILE 176 Ca -0.30 -2.15 -0.02 0.00 1.55 0.00 0.00 64.86 63.94 1rby h ILE 176 Cb 1.15 2.29 0.00 0.00 -0.27 0.00 0.00 36.82 39.99 1rby h ILE 176 CO -0.18 0.43 -0.15 0.15 -1.05 0.00 0.00 178.15 177.34 1rby h PHE 177 N 0.00 -0.40 -0.99 0.16 3.04 -1.42 0.23 116.94 117.55 1rby h PHE 177 Ca -0.06 -0.01 0.11 0.00 3.98 0.00 0.00 57.97 62.00 1rby h PHE 177 Cb 1.45 0.13 -0.08 0.00 2.56 0.00 0.00 35.95 40.02 1rby h PHE 177 CO 0.00 -0.08 0.63 -1.35 -2.02 0.00 0.00 178.31 175.49 1rby h PRO 178 N -0.75 0.96 -0.43 6.41 0.11 -1.79 -0.79 132.00 135.71 1rby h PRO 178 Ca -0.04 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 65.97 1rby h PRO 178 Cb 0.50 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 31.38 1rby h PRO 178 CO 0.07 0.63 0.11 0.00 -0.21 0.00 0.00 178.00 178.60 1rby h ALA 179 N 1.54 0.57 -0.49 -0.75 0.00 -1.42 -2.01 119.26 116.69 1rby h ALA 179 Ca 0.48 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 55.08 1rby h ALA 179 Cb 0.46 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1rby h ALA 179 CO -0.24 0.25 -0.16 0.00 0.00 0.00 0.00 179.25 179.10 1rby h ALA 180 N 0.96 0.79 -0.31 0.00 0.00 -0.61 -2.16 119.26 117.94 1rby h ALA 180 Ca 0.14 -0.36 0.04 0.00 0.00 0.00 0.00 54.91 54.72 1rby h ALA 180 Cb 0.32 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1rby h ALA 180 CO 0.00 0.66 0.10 1.25 0.00 0.00 0.00 179.25 181.26 1rby h LEU 181 N 0.84 0.09 -1.04 0.00 5.85 -1.01 -1.61 115.31 118.43 1rby h LEU 181 Ca 0.12 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 1rby h LEU 181 Cb 0.71 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.73 1rby h LEU 181 CO 0.05 0.09 0.49 1.56 -0.34 0.00 0.00 178.44 180.30 1rby h GLN 182 N 0.23 1.15 -0.52 1.25 1.08 -1.25 0.32 115.11 117.37 1rby h GLN 182 Ca 0.14 -0.11 -0.01 0.00 -1.45 0.00 0.00 58.65 57.22 1rby h GLN 182 Cb 0.12 -0.24 -0.02 0.00 -0.05 0.00 0.00 27.48 27.29 1rby h GLN 182 CO -0.15 0.82 0.28 -0.07 -0.95 0.00 0.00 178.83 178.75 1rby h LEU 183 N 1.17 0.66 0.07 1.46 3.38 -0.95 -0.42 115.31 120.68 1rby h LEU 183 Ca 0.30 -0.10 -0.28 0.00 0.09 0.00 0.00 57.88 57.89 1rby h LEU 183 Cb -0.02 -0.17 0.03 0.00 0.09 0.00 0.00 40.66 40.58 1rby h LEU 183 CO -0.05 0.57 -1.12 0.58 0.09 0.00 0.00 178.44 178.51 1rby h VAL 184 N 0.70 1.30 -0.66 1.22 2.07 -1.03 0.16 116.25 120.00 1rby h VAL 184 Ca 0.18 -2.36 -0.02 0.00 0.82 0.00 0.00 66.70 65.32 1rby h VAL 184 Cb 0.07 2.60 -0.03 0.00 -1.52 0.00 0.00 31.29 32.40 1rby h VAL 184 CO -0.03 0.72 0.32 0.00 0.02 0.00 0.00 177.57 178.60 1rby h ALA 185 N 0.32 1.32 0.00 1.67 0.00 -0.35 -2.29 119.26 119.93 1rby h ALA 185 Ca -0.16 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1rby h ALA 185 Cb 1.79 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1rby h ALA 185 CO 0.22 0.53 0.00 -1.13 0.00 0.00 0.00 179.25 178.87 1rby n SER 186 N -4.35 0.00 -0.04 0.00 3.41 -0.17 -4.63 113.62 107.84 1rby n SER 186 Ca 0.06 0.45 -0.01 0.00 -0.26 0.00 0.00 58.87 59.11 1rby n SER 186 Cb 0.13 -0.48 -0.00 0.00 -0.26 0.00 0.00 64.21 63.59 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 1.19 0.47 0.24 5.00 0.00 -0.86 -4.93 105.19 106.29 1rby n GLY 187 Ca 0.07 -0.18 -0.15 0.00 0.00 0.00 0.00 46.02 45.75 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 1.28 -3.41 2.61 2.02 -1.27 -3.42 112.91 110.72 1rby h THR 188 Ca -0.01 -1.83 -0.67 0.00 0.77 0.00 0.00 66.41 64.67 1rby h THR 188 Cb 0.13 1.77 -0.29 0.00 -1.74 0.00 0.00 68.15 68.02 1rby h THR 188 CO 0.02 0.59 -0.82 -0.69 0.37 0.00 0.00 175.52 174.98 1rby s VAL 189 N -3.97 2.58 0.09 3.16 1.01 -0.48 0.30 120.40 123.09 1rby s VAL 189 Ca -0.10 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.07 1rby s VAL 189 Cb 0.10 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 1rby s VAL 189 CO 0.89 0.55 -0.08 -1.10 0.00 0.00 0.00 175.10 175.36 1rby s GLN 190 N 0.25 0.80 -0.43 2.72 -0.21 -0.45 -4.19 119.66 118.15 1rby s GLN 190 Ca -0.13 -1.18 -0.25 0.00 0.02 0.00 0.00 55.36 53.82 1rby s GLN 190 Cb -0.16 -0.36 0.02 0.00 1.00 0.00 0.00 33.01 33.51 1rby s GLN 190 CO 0.07 0.03 0.89 -1.17 -2.12 0.00 0.00 175.29 172.99 1rby s LEU 191 N -2.60 4.06 0.71 2.90 0.20 -1.26 -1.37 118.68 121.31 1rby s LEU 191 Ca 0.06 0.18 -0.11 0.00 0.69 0.00 0.00 54.13 54.95 1rby s LEU 191 Cb -0.00 -3.15 0.02 0.00 -0.43 0.00 0.00 46.19 42.62 1rby s LEU 191 CO -0.02 -0.97 1.07 -0.83 -0.29 0.00 0.00 176.35 175.31 1rby s GLY 192 N 2.14 1.72 0.25 7.98 0.00 0.01 -4.92 107.32 114.50 1rby s GLY 192 Ca 0.35 0.18 -0.06 0.00 0.00 0.00 0.00 44.72 45.19 1rby s GLY 192 CO 0.24 0.50 1.66 0.83 0.00 0.00 0.00 173.10 176.32 1rby h GLU 193 N -0.70 0.17 -0.05 2.90 5.08 -1.97 0.98 114.58 120.99 1rby h GLU 193 Ca -0.44 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1rby h GLU 193 Cb 1.22 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1rby h GLU 193 CO 0.55 0.11 0.00 0.27 -1.00 0.00 0.00 179.01 178.94 1rby n ASN 194 N -5.26 0.05 0.00 1.42 0.23 -1.26 -4.79 115.26 105.65 1rby n ASN 194 Ca 0.14 -0.82 0.00 0.00 -0.53 0.00 0.00 54.58 53.38 1rby n ASN 194 Cb 0.48 -0.02 0.00 0.00 -2.08 0.00 0.00 39.78 38.16 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 -0.05 1.24 3.84 4.83 0.00 0.34 -5.00 105.19 110.39 1rby n GLY 195 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.10 3.07 0.46 1.61 -0.14 -1.25 -4.80 119.74 118.59 1rby s LYS 196 Ca 0.00 -0.75 -0.25 0.00 -1.36 0.00 0.00 55.97 53.61 1rby s LYS 196 Cb 0.00 -2.76 -0.08 0.00 -1.68 0.00 0.00 37.83 33.31 1rby s LYS 196 CO 0.00 0.51 1.39 -1.50 -0.76 0.00 0.00 175.35 174.99 1rby s ILE 197 N -1.69 2.17 -0.03 2.17 2.07 -1.26 -0.81 121.20 123.83 1rby s ILE 197 Ca 0.32 0.15 -0.00 0.00 -1.41 0.00 0.00 60.65 59.71 1rby s ILE 197 Cb -0.11 -3.09 0.03 0.00 0.13 0.00 0.00 42.46 39.43 1rby s ILE 197 CO 0.25 0.02 0.02 0.00 -1.91 0.00 0.00 174.94 173.32 1rby s TRP 199 N 1.25 3.32 -2.52 0.00 0.52 -1.26 -1.34 118.94 118.91 1rby s TRP 199 Ca -0.07 0.24 0.28 0.00 0.02 0.00 0.00 56.10 56.57 1rby s TRP 199 Cb -0.13 -2.26 1.02 0.00 -1.15 0.00 0.00 33.47 30.94 1rby s TRP 199 CO -0.03 0.08 1.73 0.28 0.02 0.00 0.00 176.95 179.03