#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rbm s ARG 2 N 0.00 4.30 -0.06 0.00 0.52 -1.26 -1.76 118.95 120.69 1rbm s ARG 2 Ca 0.00 0.93 0.04 0.00 -0.52 0.00 0.00 55.73 56.18 1rbm s ARG 2 Cb 0.00 -3.56 -0.02 0.00 0.52 0.00 0.00 34.95 31.89 1rbm s ARG 2 CO 0.00 -0.25 -0.17 0.08 0.02 0.00 0.00 175.30 174.98 1rbm s VAL 3 N 1.91 2.82 -0.07 3.52 1.01 0.20 -0.06 120.40 129.73 1rbm s VAL 3 Ca 0.37 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.55 1rbm s VAL 3 Cb -0.17 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.09 1rbm s VAL 3 CO 0.13 0.58 -0.04 0.00 0.00 0.00 0.00 175.10 175.77 1rbm s ALA 4 N -0.48 3.11 -0.18 5.51 0.00 -0.00 -1.13 121.76 128.58 1rbm s ALA 4 Ca 0.06 -0.87 -0.02 0.00 0.00 0.00 0.00 51.96 51.13 1rbm s ALA 4 Cb -0.12 -1.32 -0.01 0.00 0.00 0.00 0.00 23.12 21.68 1rbm s ALA 4 CO 0.01 0.59 -0.09 0.08 0.00 0.00 0.00 175.76 176.35 1rbm s VAL 5 N -0.87 3.10 -0.19 0.00 1.01 -0.40 -0.42 120.40 122.63 1rbm s VAL 5 Ca 0.13 -0.61 -0.08 0.00 0.00 0.00 0.00 61.98 61.43 1rbm s VAL 5 Cb -0.11 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.87 1rbm s VAL 5 CO 0.03 0.48 0.08 -0.76 0.00 0.00 0.00 175.10 174.92 1rbm s LEU 6 N 1.04 3.88 0.19 3.92 1.02 -0.15 -0.59 118.68 127.99 1rbm s LEU 6 Ca -0.00 0.10 0.04 0.00 0.02 0.00 0.00 54.13 54.29 1rbm s LEU 6 Cb -0.15 -1.99 -0.05 0.00 0.02 0.00 0.00 46.19 44.03 1rbm s LEU 6 CO -0.01 0.16 -0.06 0.27 0.02 0.00 0.00 176.35 176.73 1rbm s ILE 7 N 0.45 1.13 0.00 -0.59 -4.36 0.16 -1.24 121.20 116.75 1rbm s ILE 7 Ca 0.04 -2.06 0.00 0.00 -0.26 0.00 0.00 60.65 58.38 1rbm s ILE 7 Cb -0.12 -2.09 0.00 0.00 1.25 0.00 0.00 42.46 41.50 1rbm s ILE 7 CO 0.00 -0.55 0.14 -1.20 0.24 0.00 0.00 174.94 173.57 1rbm n SER 8 N -0.31 0.27 0.00 4.36 7.64 -1.03 -3.10 113.62 121.46 1rbm n SER 8 Ca -0.08 -0.62 0.00 0.00 1.01 0.00 0.00 58.87 59.19 1rbm n SER 8 Cb 0.62 0.33 0.00 0.00 -1.01 0.00 0.00 64.21 64.15 1rbm n SER 8 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rbm n GLY 9 N 0.33 3.31 0.00 0.23 0.00 -1.26 -4.69 105.19 103.11 1rbm n GLY 9 Ca 0.00 -0.15 0.14 0.00 0.00 0.00 0.00 46.02 46.00 1rbm n GLY 9 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1rbm n THR 10 N 0.00 0.10 -3.27 2.61 -2.24 -1.26 -1.91 114.28 108.31 1rbm n THR 10 Ca 0.00 0.03 -0.16 0.00 -2.27 0.00 0.00 64.05 61.64 1rbm n THR 10 Cb 0.00 -0.57 0.07 0.00 -2.10 0.00 0.00 70.33 67.73 1rbm n THR 10 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rbm n GLY 11 N 1.04 -0.24 3.61 3.38 0.00 -1.26 -3.12 105.19 108.60 1rbm n GLY 11 Ca 0.13 0.03 -0.48 0.00 0.00 0.00 0.00 46.02 45.71 1rbm n GLY 11 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rbm n SER 12 N -2.48 1.89 0.00 1.61 7.64 -1.26 -1.38 113.62 119.63 1rbm n SER 12 Ca -0.13 1.14 0.00 0.00 1.01 0.00 0.00 58.87 60.89 1rbm n SER 12 Cb 0.60 -1.29 0.00 0.00 -1.01 0.00 0.00 64.21 62.51 1rbm n SER 12 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1rbm n ASN 13 N 2.14 0.00 -0.14 6.43 3.02 -1.26 -4.62 115.26 120.82 1rbm n ASN 13 Ca 0.14 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.63 1rbm n ASN 13 Cb 0.27 -0.29 0.03 0.00 -0.61 0.00 0.00 39.78 39.17 1rbm n ASN 13 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1rbm h LEU 14 N 0.00 0.33 -0.79 3.41 5.85 -1.60 0.27 115.31 122.78 1rbm h LEU 14 Ca 0.00 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 1rbm h LEU 14 Cb 0.00 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 1rbm h LEU 14 CO 0.00 0.24 0.34 -0.61 -0.34 0.00 0.00 178.44 178.07 1rbm h GLN 15 N 0.45 1.16 -0.65 1.25 5.75 -1.90 0.14 115.11 121.31 1rbm h GLN 15 Ca 0.19 -0.20 -0.01 0.00 -0.15 0.00 0.00 58.65 58.48 1rbm h GLN 15 Cb 0.08 -0.20 -0.03 0.00 1.07 0.00 0.00 27.48 28.41 1rbm h GLN 15 CO -0.12 0.93 0.38 0.00 -2.65 0.00 0.00 178.83 177.37 1rbm h ALA 16 N 1.18 0.84 -0.32 3.38 0.00 -1.73 -0.07 119.26 122.53 1rbm h ALA 16 Ca 0.27 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1rbm h ALA 16 Cb 0.18 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1rbm h ALA 16 CO -0.03 0.32 0.13 -0.07 0.00 0.00 0.00 179.25 179.61 1rbm h LEU 17 N 0.89 0.44 0.35 0.00 3.38 -0.12 -2.16 115.31 118.08 1rbm h LEU 17 Ca 0.23 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1rbm h LEU 17 Cb -0.00 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1rbm h LEU 17 CO -0.04 0.48 -0.30 0.40 0.09 0.00 0.00 178.44 179.06 1rbm h ILE 18 N 0.37 0.37 -0.65 1.22 2.04 -0.31 -1.23 117.51 119.31 1rbm h ILE 18 Ca 0.11 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.03 1rbm h ILE 18 Cb 0.17 0.37 -0.06 0.00 -0.74 0.00 0.00 36.82 36.57 1rbm h ILE 18 CO -0.01 0.00 0.35 0.44 0.00 0.00 0.00 178.15 178.93 1rbm h ASP 19 N -0.66 0.50 0.13 1.72 3.32 -1.05 -2.01 116.42 118.37 1rbm h ASP 19 Ca -0.02 0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.08 1rbm h ASP 19 Cb 0.59 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 40.05 1rbm h ASP 19 CO -0.03 0.32 -0.29 -1.28 -1.72 0.00 0.00 179.24 176.24 1rbm h SER 20 N 0.63 -0.82 0.07 6.45 0.87 -1.20 -2.23 113.55 117.33 1rbm h SER 20 Ca 0.30 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.95 1rbm h SER 20 Cb 0.22 0.31 0.00 0.00 -0.44 0.00 0.00 62.40 62.49 1rbm h SER 20 CO -0.20 -0.38 0.00 0.71 -0.53 0.00 0.00 176.83 176.43 1rbm h THR 21 N -0.51 0.00 -0.44 2.23 1.35 -0.62 -2.07 112.91 112.86 1rbm h THR 21 Ca 0.03 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1rbm h THR 21 Cb 0.53 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 1rbm h THR 21 CO -0.16 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 175.65 1rbm n ARG 22 N -3.00 2.27 -1.81 4.72 1.74 -0.81 -4.74 116.66 115.03 1rbm n ARG 22 Ca -0.03 -1.95 -0.31 0.00 -0.77 0.00 0.00 57.85 54.79 1rbm n ARG 22 Cb 0.08 -1.46 0.02 0.00 -1.02 0.00 0.00 32.46 30.09 1rbm n ARG 22 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1rbm s GLU 23 N -1.43 3.36 0.32 5.56 2.02 -0.78 -5.00 118.70 122.75 1rbm s GLU 23 Ca 0.37 0.87 0.02 0.00 0.02 0.00 0.00 54.97 56.25 1rbm s GLU 23 Cb 0.20 -2.05 0.54 0.00 0.10 0.00 0.00 34.13 32.93 1rbm s GLU 23 CO 0.28 -0.76 1.89 -1.35 0.02 0.00 0.00 175.26 175.34 1rbm h PRO 24 N -0.32 0.71 -0.53 0.39 0.11 -1.91 -2.89 132.00 127.56 1rbm h PRO 24 Ca -0.44 -0.12 0.00 0.00 0.11 0.00 0.00 66.00 65.55 1rbm h PRO 24 Cb 1.20 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1rbm h PRO 24 CO 0.60 0.62 0.00 0.27 -0.21 0.00 0.00 178.00 179.28 1rbm n ASN 25 N -4.32 2.48 -4.76 -2.05 6.94 -1.26 -4.98 115.26 107.31 1rbm n ASN 25 Ca 0.04 -2.17 -0.41 0.00 -0.02 0.00 0.00 54.58 52.02 1rbm n ASN 25 Cb 0.19 -0.37 -0.02 0.00 -2.36 0.00 0.00 39.78 37.21 1rbm n ASN 25 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1rbm s SER 26 N -0.77 6.84 0.00 0.53 0.15 -1.09 -4.93 113.70 114.42 1rbm s SER 26 Ca 0.26 2.59 0.22 0.00 0.70 0.00 0.00 55.95 59.71 1rbm s SER 26 Cb 0.16 -2.64 0.13 0.00 -1.71 0.00 0.00 66.02 61.96 1rbm s SER 26 CO 0.14 -0.51 1.16 -1.20 1.20 0.00 0.00 173.24 174.02 1rbm n SER 27 N 1.32 2.62 -4.23 5.45 7.64 -1.26 -4.99 113.62 120.16 1rbm n SER 27 Ca 0.02 -1.81 -0.14 0.00 1.01 0.00 0.00 58.87 57.95 1rbm n SER 27 Cb 0.42 0.12 -0.10 0.00 -1.01 0.00 0.00 64.21 63.63 1rbm n SER 27 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rbm s ALA 28 N -1.95 1.34 -0.01 -0.43 0.00 -1.26 -0.64 121.76 118.79 1rbm s ALA 28 Ca 0.24 -1.41 -0.01 0.00 0.00 0.00 0.00 51.96 50.78 1rbm s ALA 28 Cb 0.18 0.05 0.01 0.00 0.00 0.00 0.00 23.12 23.36 1rbm s ALA 28 CO 0.34 -0.09 0.03 1.14 0.00 0.00 0.00 175.76 177.18 1rbm s GLN 29 N -3.51 0.01 -0.37 0.00 -2.07 -0.72 -4.64 119.66 108.35 1rbm s GLN 29 Ca 0.14 0.10 -0.28 0.00 -1.82 0.00 0.00 55.36 53.49 1rbm s GLN 29 Cb 0.01 -0.08 0.02 0.00 -1.09 0.00 0.00 33.01 31.87 1rbm s GLN 29 CO -0.00 -0.07 1.05 0.42 -1.32 0.00 0.00 175.29 175.38 1rbm s ILE 30 N 0.42 4.46 -0.31 3.63 -1.09 -1.26 -0.63 121.20 126.42 1rbm s ILE 30 Ca -0.03 1.49 0.18 0.00 -2.23 0.00 0.00 60.65 60.05 1rbm s ILE 30 Cb -0.05 -4.44 -0.25 0.00 -1.58 0.00 0.00 42.46 36.14 1rbm s ILE 30 CO -0.01 -0.62 0.52 0.47 -1.23 0.00 0.00 174.94 174.07 1rbm n ASP 31 N 7.07 0.85 -3.58 3.58 8.00 -0.28 -4.93 116.55 127.26 1rbm n ASP 31 Ca 0.11 -0.32 -0.14 0.00 0.71 0.00 0.00 54.79 55.14 1rbm n ASP 31 Cb 0.48 1.53 -0.06 0.00 -0.02 0.00 0.00 41.12 43.05 1rbm n ASP 31 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1rbm s ILE 32 N -3.04 0.00 -0.12 0.53 2.07 -1.22 -4.26 121.20 115.16 1rbm s ILE 32 Ca -0.02 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.25 1rbm s ILE 32 Cb 0.12 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.72 1rbm s ILE 32 CO 0.74 0.00 -0.23 -0.69 -1.91 0.00 0.00 174.94 172.85 1rbm s VAL 33 N -0.60 2.05 -0.15 4.00 1.01 -0.59 -1.28 120.40 124.84 1rbm s VAL 33 Ca -0.04 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 60.95 1rbm s VAL 33 Cb -0.02 -1.79 0.01 0.00 0.00 0.00 0.00 36.38 34.58 1rbm s VAL 33 CO 0.04 0.55 -0.18 -0.63 0.00 0.00 0.00 175.10 174.88 1rbm s ILE 34 N 0.56 2.35 0.04 2.22 1.01 0.24 -2.02 121.20 125.61 1rbm s ILE 34 Ca -0.13 -0.87 0.05 0.00 0.00 0.00 0.00 60.65 59.69 1rbm s ILE 34 Cb -0.17 -1.97 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 1rbm s ILE 34 CO 0.04 0.53 -0.09 -0.55 0.00 0.00 0.00 174.94 174.87 1rbm s SER 35 N 0.87 4.45 0.00 3.58 0.15 -0.77 -0.66 113.70 121.31 1rbm s SER 35 Ca -0.05 -0.26 0.24 0.00 0.70 0.00 0.00 55.95 56.58 1rbm s SER 35 Cb -0.15 -0.94 0.56 0.00 -1.71 0.00 0.00 66.02 63.78 1rbm s SER 35 CO -0.02 0.24 1.47 -0.46 1.20 0.00 0.00 173.24 175.67 1rbm n ASN 36 N 1.25 2.47 -3.98 5.45 0.23 -1.18 -1.28 115.26 118.21 1rbm n ASN 36 Ca -0.15 -1.82 -0.23 0.00 -0.53 0.00 0.00 54.58 51.85 1rbm n ASN 36 Cb 0.52 -0.07 -0.17 0.00 -2.08 0.00 0.00 39.78 37.99 1rbm n ASN 36 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1rbm s LYS 37 N -1.85 1.46 0.53 -3.83 1.02 -1.26 -3.77 119.74 112.03 1rbm s LYS 37 Ca 0.34 -0.32 -0.18 0.00 0.02 0.00 0.00 55.97 55.82 1rbm s LYS 37 Cb 0.20 -1.25 -0.07 0.00 -0.52 0.00 0.00 37.83 36.20 1rbm s LYS 37 CO 0.31 -0.01 1.03 0.00 -0.92 0.00 0.00 175.35 175.76 1rbm s ALA 38 N 0.75 2.87 -1.28 5.17 0.00 -1.26 -4.16 121.76 123.84 1rbm s ALA 38 Ca -0.13 0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.25 1rbm s ALA 38 Cb -0.15 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.76 1rbm s ALA 38 CO 0.02 -0.47 0.00 0.00 0.00 0.00 0.00 175.76 175.31 1rbm n ALA 39 N -1.49 -0.18 -2.19 0.00 0.00 -1.26 -5.01 120.51 110.37 1rbm n ALA 39 Ca 0.08 0.20 -0.29 0.00 0.00 0.00 0.00 53.44 53.43 1rbm n ALA 39 Cb 0.53 -1.43 -0.01 0.00 0.00 0.00 0.00 19.45 18.55 1rbm n ALA 39 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1rbm s VAL 40 N -2.42 4.85 0.11 0.00 -7.23 -1.26 -4.99 120.40 109.46 1rbm s VAL 40 Ca 0.00 0.40 0.26 0.00 -1.81 0.00 0.00 61.98 60.84 1rbm s VAL 40 Cb 0.00 -3.83 0.27 0.00 0.56 0.00 0.00 36.38 33.38 1rbm s VAL 40 CO 0.00 -0.80 1.86 0.00 -0.31 0.00 0.00 175.10 175.85 1rbm h ALA 41 N 0.44 1.02 -0.12 1.32 0.00 -1.86 -2.58 119.26 117.49 1rbm h ALA 41 Ca -0.47 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.22 1rbm h ALA 41 Cb 1.20 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1rbm h ALA 41 CO 0.62 0.21 -0.25 0.78 0.00 0.00 0.00 179.25 180.61 1rbm h GLY 42 N 2.12 0.22 1.02 0.00 0.00 -1.32 -1.54 103.07 103.57 1rbm h GLY 42 Ca -0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 1rbm h GLY 42 CO 0.02 0.15 0.40 1.41 0.00 0.00 0.00 176.54 178.52 1rbm h LEU 43 N 0.19 1.02 -0.97 3.11 3.38 -1.70 -1.14 115.31 119.19 1rbm h LEU 43 Ca 0.03 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.78 1rbm h LEU 43 Cb 0.55 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1rbm h LEU 43 CO 0.04 0.85 -0.35 0.44 0.09 0.00 0.00 178.44 179.51 1rbm h ASP 44 N 1.11 0.32 0.07 -0.43 3.32 -1.46 -0.15 116.42 119.19 1rbm h ASP 44 Ca 0.27 -0.12 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 1rbm h ASP 44 Cb 0.09 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1rbm h ASP 44 CO -0.04 0.65 -0.04 0.11 -1.72 0.00 0.00 179.24 178.21 1rbm h LYS 45 N 0.27 -0.09 -0.05 3.56 1.57 -0.89 -0.27 116.57 120.66 1rbm h LYS 45 Ca 0.03 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.84 1rbm h LYS 45 Cb 0.74 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.05 1rbm h LYS 45 CO 0.06 -0.03 -0.07 0.00 -0.57 0.00 0.00 179.45 178.84 1rbm h ALA 46 N 0.80 -0.02 -0.97 3.86 0.00 -1.00 -2.06 119.26 119.86 1rbm h ALA 46 Ca -0.01 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1rbm h ALA 46 Cb 0.10 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 1rbm h ALA 46 CO 0.02 -0.54 0.65 0.93 0.00 0.00 0.00 179.25 180.30 1rbm h GLU 47 N -0.09 1.27 -0.46 0.00 5.08 -0.92 -1.45 114.58 118.02 1rbm h GLU 47 Ca 0.05 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1rbm h GLU 47 Cb 0.16 -0.29 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 1rbm h GLU 47 CO -0.11 0.84 0.17 0.00 -1.00 0.00 0.00 179.01 178.91 1rbm h ARG 48 N 1.31 0.65 0.00 2.33 3.08 -0.80 -2.03 114.38 118.93 1rbm h ARG 48 Ca 0.36 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.32 1rbm h ARG 48 Cb -0.13 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 29.81 1rbm h ARG 48 CO -0.08 0.55 0.00 0.00 -1.07 0.00 0.00 179.97 179.37 1rbm n ALA 49 N -2.47 2.35 -2.59 0.04 0.00 -0.62 -4.91 120.51 112.31 1rbm n ALA 49 Ca 0.03 -0.13 -0.12 0.00 0.00 0.00 0.00 53.44 53.23 1rbm n ALA 49 Cb 0.16 -1.43 0.02 0.00 0.00 0.00 0.00 19.45 18.19 1rbm n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rbm n GLY 50 N 0.94 0.03 3.47 0.00 0.00 -0.76 -5.03 105.19 103.84 1rbm n GLY 50 Ca 0.14 -0.32 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 1rbm n GLY 50 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rbm s ILE 51 N -2.82 4.02 0.37 -0.61 1.01 -0.75 -5.03 121.20 117.39 1rbm s ILE 51 Ca 0.13 -0.30 -0.24 0.00 0.00 0.00 0.00 60.65 60.24 1rbm s ILE 51 Cb -0.06 -2.81 -0.13 0.00 0.01 0.00 0.00 42.46 39.47 1rbm s ILE 51 CO 0.17 0.44 0.68 -2.65 0.00 0.00 0.00 174.94 173.58 1rbm n PRO 52 N 4.04 0.73 -4.27 2.79 -0.02 -1.26 -4.10 135.00 132.92 1rbm n PRO 52 Ca -0.17 0.26 -0.17 0.00 -2.02 0.00 0.00 63.50 61.40 1rbm n PRO 52 Cb 0.52 -1.56 -0.11 0.00 -0.02 0.00 0.00 33.50 32.33 1rbm n PRO 52 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1rbm s THR 53 N -1.32 1.39 0.03 3.45 -4.23 -1.26 -1.54 115.64 112.16 1rbm s THR 53 Ca 0.62 -1.88 0.01 0.00 -1.18 0.00 0.00 61.69 59.26 1rbm s THR 53 Cb -0.66 -1.70 -0.02 0.00 1.34 0.00 0.00 72.50 71.46 1rbm s THR 53 CO 0.58 -0.51 -0.04 -0.13 -0.54 0.00 0.00 174.62 173.98 1rbm s ARG 54 N -3.07 0.37 -0.21 3.99 1.81 -0.86 -4.97 118.95 116.02 1rbm s ARG 54 Ca 0.13 -0.64 -0.00 0.00 -1.72 0.00 0.00 55.73 53.50 1rbm s ARG 54 Cb -0.03 -0.01 0.02 0.00 -0.45 0.00 0.00 34.95 34.48 1rbm s ARG 54 CO 0.03 -0.02 -0.14 0.08 -0.68 0.00 0.00 175.30 174.58 1rbm s VAL 55 N -1.41 2.46 -0.34 3.52 1.01 -1.26 -1.85 120.40 122.53 1rbm s VAL 55 Ca -0.14 -0.93 0.04 0.00 0.00 0.00 0.00 61.98 60.94 1rbm s VAL 55 Cb -0.10 -2.13 0.10 0.00 0.00 0.00 0.00 36.38 34.25 1rbm s VAL 55 CO -0.01 0.41 0.05 -0.63 0.00 0.00 0.00 175.10 174.92 1rbm s ILE 56 N 1.32 2.18 -0.22 2.22 1.01 -0.40 -5.01 121.20 122.30 1rbm s ILE 56 Ca 0.03 -2.28 -0.29 0.00 0.00 0.00 0.00 60.65 58.11 1rbm s ILE 56 Cb -0.14 -2.62 -0.02 0.00 0.01 0.00 0.00 42.46 39.69 1rbm s ILE 56 CO -0.09 -0.60 1.50 0.21 0.00 0.00 0.00 174.94 175.96 1rbm s ASN 57 N 0.95 6.54 0.52 3.58 3.84 -1.26 -4.09 114.94 125.01 1rbm s ASN 57 Ca 0.11 1.58 0.34 0.00 0.21 0.00 0.00 52.86 55.09 1rbm s ASN 57 Cb -0.19 -2.53 1.51 0.00 -0.55 0.00 0.00 41.25 39.48 1rbm s ASN 57 CO -0.09 -1.13 2.00 1.12 -2.79 0.00 0.00 177.10 176.21 1rbm h HIS 58 N 10.00 0.00 0.00 0.43 2.07 -1.95 -2.60 115.15 123.10 1rbm h HIS 58 Ca -0.31 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.21 1rbm h HIS 58 Cb 1.14 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.12 1rbm h HIS 58 CO 0.89 0.00 0.00 0.87 -3.07 0.00 0.00 177.93 176.62 1rbm h LYS 59 N 0.00 0.00 0.00 5.12 1.57 -1.90 -3.02 116.57 118.34 1rbm h LYS 59 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1rbm h LYS 59 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1rbm h LYS 59 CO 0.00 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.16 1rbm n LEU 60 N -2.52 0.00 -4.64 2.94 4.77 -0.98 -4.86 117.00 111.70 1rbm n LEU 60 Ca 0.03 0.48 -0.32 0.00 -0.03 0.00 0.00 56.01 56.17 1rbm n LEU 60 Cb 0.33 -0.48 -0.09 0.00 -2.33 0.00 0.00 43.42 40.85 1rbm n LEU 60 CO 0.26 -0.00 -0.35 -0.31 -1.33 0.00 0.00 177.39 175.65 1rbm s TYR 61 N -2.96 2.97 0.26 -1.77 1.51 -1.14 -5.03 117.35 111.18 1rbm s TYR 61 Ca 0.15 0.00 0.06 0.00 -1.01 0.00 0.00 57.07 56.27 1rbm s TYR 61 Cb 0.19 -1.61 0.31 0.00 -0.11 0.00 0.00 41.96 40.74 1rbm s TYR 61 CO 0.52 0.43 1.60 1.57 -1.11 0.00 0.00 175.55 178.56 1rbm h LYS 62 N 4.24 0.21 -3.98 -0.62 -0.00 -1.89 -3.46 116.57 111.07 1rbm h LYS 62 Ca -0.48 -0.13 -0.12 0.00 -0.00 0.00 0.00 60.65 59.91 1rbm h LYS 62 Cb 1.17 0.02 -0.12 0.00 -0.00 0.00 0.00 32.23 33.30 1rbm h LYS 62 CO 0.56 0.71 -0.32 0.54 -0.00 0.00 0.00 179.45 180.94 1rbm s ASN 63 N -6.89 0.02 0.27 7.07 2.20 -1.26 -5.06 114.94 111.29 1rbm s ASN 63 Ca -0.04 -1.04 -0.02 0.00 -0.94 0.00 0.00 52.86 50.82 1rbm s ASN 63 Cb 0.12 0.48 0.44 0.00 -2.00 0.00 0.00 41.25 40.30 1rbm s ASN 63 CO 0.79 -0.99 1.87 0.03 -2.94 0.00 0.00 177.10 175.87 1rbm h ARG 64 N 2.44 1.11 -0.64 3.55 3.08 -1.95 -2.85 114.38 119.12 1rbm h ARG 64 Ca -0.30 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 59.69 1rbm h ARG 64 Cb 1.24 -0.25 -0.03 0.00 0.08 0.00 0.00 29.97 31.01 1rbm h ARG 64 CO 0.44 0.73 0.42 0.28 -1.07 0.00 0.00 179.97 180.78 1rbm h VAL 65 N 1.14 1.16 -0.07 2.04 2.07 -1.97 0.11 116.25 120.72 1rbm h VAL 65 Ca 0.45 -0.30 -0.18 0.00 0.82 0.00 0.00 66.70 67.49 1rbm h VAL 65 Cb 0.24 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 1rbm h VAL 65 CO -0.19 0.16 -0.73 -0.33 0.02 0.00 0.00 177.57 176.50 1rbm h GLU 66 N 0.86 0.37 0.31 1.57 5.08 -1.96 -1.43 114.58 119.38 1rbm h GLU 66 Ca 0.24 -0.31 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1rbm h GLU 66 Cb -0.09 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1rbm h GLU 66 CO -0.05 0.95 -0.15 0.35 -1.00 0.00 0.00 179.01 179.10 1rbm h PHE 67 N 0.26 -0.38 -0.52 4.33 3.57 -1.24 -1.43 116.94 121.52 1rbm h PHE 67 Ca -0.03 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.46 1rbm h PHE 67 Cb 1.30 0.13 -0.03 0.00 2.79 0.00 0.00 35.95 40.14 1rbm h PHE 67 CO 0.04 -0.23 0.30 -0.44 -2.23 0.00 0.00 178.31 175.75 1rbm h ASP 68 N -0.42 0.61 -0.39 0.41 3.32 -0.78 -1.32 116.42 117.85 1rbm h ASP 68 Ca -0.04 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 56.93 1rbm h ASP 68 Cb 0.32 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 1rbm h ASP 68 CO 0.07 0.48 0.09 0.28 -1.72 0.00 0.00 179.24 178.44 1rbm h SER 69 N 0.71 0.65 -0.55 6.45 0.02 -1.12 0.28 113.55 119.99 1rbm h SER 69 Ca 0.19 -0.11 -0.09 0.00 -0.84 0.00 0.00 61.79 60.93 1rbm h SER 69 Cb -0.02 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 1rbm h SER 69 CO -0.03 0.66 -0.01 0.00 -1.14 0.00 0.00 176.83 176.30 1rbm h ALA 70 N 1.43 0.74 -0.08 3.77 0.00 -0.19 -1.26 119.26 123.66 1rbm h ALA 70 Ca 0.15 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1rbm h ALA 70 Cb 0.28 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1rbm h ALA 70 CO 0.00 0.58 0.05 0.82 0.00 0.00 0.00 179.25 180.70 1rbm h ILE 71 N 0.86 1.08 -0.85 0.00 2.04 -0.66 -2.95 117.51 117.03 1rbm h ILE 71 Ca 0.15 -0.22 0.03 0.00 1.00 0.00 0.00 64.86 65.83 1rbm h ILE 71 Cb 0.56 1.08 -0.05 0.00 -0.74 0.00 0.00 36.82 37.66 1rbm h ILE 71 CO 0.03 0.07 0.56 -0.78 0.00 0.00 0.00 178.15 178.03 1rbm h ASP 72 N 0.05 0.92 -0.52 1.72 3.58 -0.42 -0.24 116.42 121.51 1rbm h ASP 72 Ca 0.03 -0.01 0.08 0.00 0.42 0.00 0.00 57.03 57.54 1rbm h ASP 72 Cb 0.07 -0.22 -0.06 0.00 1.72 0.00 0.00 39.33 40.84 1rbm h ASP 72 CO -0.00 0.64 0.16 0.25 -2.88 0.00 0.00 179.24 177.41 1rbm h LEU 73 N 1.08 0.12 -0.32 2.28 6.46 -1.06 -0.16 115.31 123.71 1rbm h LEU 73 Ca 0.33 0.07 -0.10 0.00 -0.12 0.00 0.00 57.88 58.06 1rbm h LEU 73 Cb -0.01 0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 39.99 1rbm h LEU 73 CO -0.09 0.09 -0.21 0.58 -0.62 0.00 0.00 178.44 178.19 1rbm h VAL 74 N 0.32 1.29 -0.78 1.05 2.07 -1.21 -1.85 116.25 117.14 1rbm h VAL 74 Ca 0.26 -1.34 0.08 0.00 0.82 0.00 0.00 66.70 66.51 1rbm h VAL 74 Cb 0.31 1.46 -0.06 0.00 -1.52 0.00 0.00 31.29 31.48 1rbm h VAL 74 CO -0.29 0.43 0.45 -0.07 0.02 0.00 0.00 177.57 178.11 1rbm h LEU 75 N 0.47 0.66 -0.74 2.57 3.38 -0.63 -1.23 115.31 119.79 1rbm h LEU 75 Ca 0.06 0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.94 1rbm h LEU 75 Cb 0.75 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1rbm h LEU 75 CO 0.06 0.40 -0.46 -0.33 0.09 0.00 0.00 178.44 178.19 1rbm h GLU 76 N 0.79 0.39 -0.92 1.13 4.39 -0.92 -1.25 114.58 118.19 1rbm h GLU 76 Ca 0.36 -0.21 -0.01 0.00 0.34 0.00 0.00 59.36 59.84 1rbm h GLU 76 Cb 0.27 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.88 1rbm h GLU 76 CO -0.21 0.78 0.55 1.49 -1.16 0.00 0.00 179.01 180.46 1rbm h GLU 77 N 0.32 1.26 -0.29 2.33 4.81 -0.70 -2.00 114.58 120.31 1rbm h GLU 77 Ca 0.02 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1rbm h GLU 77 Cb 0.94 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 30.06 1rbm h GLU 77 CO 0.08 0.88 0.00 1.19 -0.73 0.00 0.00 179.01 180.43 1rbm n PHE 78 N -4.37 0.38 -4.02 0.92 3.01 -0.52 -4.96 117.46 107.91 1rbm n PHE 78 Ca 0.10 -0.19 -0.32 0.00 1.01 0.00 0.00 57.45 58.05 1rbm n PHE 78 Cb 0.06 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.51 1rbm n PHE 78 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1rbm n SER 79 N 0.46 -1.58 -4.72 4.37 7.64 -0.75 -4.91 113.62 114.11 1rbm n SER 79 Ca 0.13 -1.13 -0.42 0.00 1.01 0.00 0.00 58.87 58.47 1rbm n SER 79 Cb 0.31 -2.50 -0.04 0.00 -1.01 0.00 0.00 64.21 60.97 1rbm n SER 79 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1rbm s ILE 80 N -3.90 4.32 -0.16 0.44 -1.09 -0.52 -4.71 121.20 115.58 1rbm s ILE 80 Ca 0.18 1.80 -0.00 0.00 -2.23 0.00 0.00 60.65 60.39 1rbm s ILE 80 Cb -0.08 -4.15 -0.23 0.00 -1.58 0.00 0.00 42.46 36.42 1rbm s ILE 80 CO 0.93 0.22 0.18 0.47 -1.23 0.00 0.00 174.94 175.51 1rbm n ASP 81 N 3.25 1.83 -4.00 3.58 8.00 0.92 -4.94 116.55 125.18 1rbm n ASP 81 Ca 0.05 0.10 -0.19 0.00 0.71 0.00 0.00 54.79 55.46 1rbm n ASP 81 Cb 0.48 -0.52 -0.15 0.00 -0.02 0.00 0.00 41.12 40.91 1rbm n ASP 81 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1rbm s ILE 82 N -2.55 0.70 -0.13 0.53 1.01 -0.81 -4.86 121.20 115.10 1rbm s ILE 82 Ca -0.24 -0.35 -0.02 0.00 0.00 0.00 0.00 60.65 60.04 1rbm s ILE 82 Cb 0.07 -0.61 -0.03 0.00 0.01 0.00 0.00 42.46 41.91 1rbm s ILE 82 CO 0.72 0.21 -0.05 -0.69 0.00 0.00 0.00 174.94 175.14 1rbm s VAL 83 N 0.02 3.81 -0.13 2.92 1.01 0.35 -0.82 120.40 127.55 1rbm s VAL 83 Ca -0.00 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 61.58 1rbm s VAL 83 Cb -0.06 -2.63 -0.01 0.00 0.00 0.00 0.00 36.38 33.68 1rbm s VAL 83 CO -0.00 0.53 -0.15 0.00 0.00 0.00 0.00 175.10 175.48 1rbm s LEU 85 N 0.46 4.07 -0.50 0.00 1.43 0.63 -0.98 118.68 123.78 1rbm s LEU 85 Ca -0.11 0.42 0.03 0.00 -1.03 0.00 0.00 54.13 53.44 1rbm s LEU 85 Cb -0.16 -2.59 0.13 0.00 0.03 0.00 0.00 46.19 43.60 1rbm s LEU 85 CO 0.05 -0.27 0.26 0.00 0.23 0.00 0.00 176.35 176.62 1rbm s ALA 86 N 2.25 3.00 -1.32 4.21 0.00 -0.37 -3.56 121.76 125.97 1rbm s ALA 86 Ca 0.19 -3.10 0.00 0.00 0.00 0.00 0.00 51.96 49.05 1rbm s ALA 86 Cb -0.16 -2.08 0.00 0.00 0.00 0.00 0.00 23.12 20.88 1rbm s ALA 86 CO 0.10 -2.03 0.00 0.41 0.00 0.00 0.00 175.76 174.23 1rbm n GLY 87 N 3.19 0.86 3.72 0.00 0.00 -1.26 -4.37 105.19 107.34 1rbm n GLY 87 Ca 0.06 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 1rbm n GLY 87 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1rbm s PHE 88 N -2.55 3.43 -0.25 1.61 5.36 -1.25 -2.46 117.98 121.87 1rbm s PHE 88 Ca 0.00 1.32 0.09 0.00 -0.96 0.00 0.00 56.93 57.38 1rbm s PHE 88 Cb 0.00 -3.43 0.20 0.00 -0.34 0.00 0.00 43.02 39.45 1rbm s PHE 88 CO 0.00 -1.29 1.14 -1.33 -1.46 0.00 0.00 175.22 172.28 1rbm n MET 89 N 3.54 2.58 -3.82 10.12 2.81 -1.26 -4.90 117.12 126.19 1rbm n MET 89 Ca 0.08 -2.02 -0.36 0.00 -1.81 0.00 0.00 57.70 53.58 1rbm n MET 89 Cb 0.46 -1.27 -0.11 0.00 -0.71 0.00 0.00 33.22 31.59 1rbm n MET 89 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1rbm s ARG 90 N -1.64 3.87 0.06 0.03 1.81 -1.26 -5.07 118.95 116.76 1rbm s ARG 90 Ca 0.17 -0.38 -0.31 0.00 -1.72 0.00 0.00 55.73 53.50 1rbm s ARG 90 Cb 0.13 -3.36 -0.08 0.00 -0.45 0.00 0.00 34.95 31.19 1rbm s ARG 90 CO 0.05 0.02 1.52 0.42 -0.68 0.00 0.00 175.30 176.64 1rbm s ILE 91 N 1.10 3.24 0.31 1.52 -1.09 -1.26 -5.00 121.20 120.03 1rbm s ILE 91 Ca 0.05 0.74 -0.14 0.00 -2.23 0.00 0.00 60.65 59.07 1rbm s ILE 91 Cb -0.14 -3.48 -0.09 0.00 -1.58 0.00 0.00 42.46 37.18 1rbm s ILE 91 CO 0.04 0.01 0.72 -0.76 -1.23 0.00 0.00 174.94 173.72 1rbm s LEU 92 N 2.17 4.07 0.72 2.97 1.43 -1.26 -5.02 118.68 123.76 1rbm s LEU 92 Ca 0.69 1.24 -0.11 0.00 -1.03 0.00 0.00 54.13 54.92 1rbm s LEU 92 Cb -0.37 -4.04 0.02 0.00 0.03 0.00 0.00 46.19 41.83 1rbm s LEU 92 CO 0.30 -0.19 1.07 -0.94 0.23 0.00 0.00 176.35 176.82 1rbm s SER 93 N -2.28 5.18 0.15 2.29 1.04 -1.26 -4.85 113.70 113.97 1rbm s SER 93 Ca 0.53 1.46 -0.27 0.00 0.48 0.00 0.00 55.95 58.15 1rbm s SER 93 Cb -0.10 -2.30 -0.01 0.00 0.10 0.00 0.00 66.02 63.70 1rbm s SER 93 CO 0.18 -1.55 1.58 1.23 0.98 0.00 0.00 173.24 175.66 1rbm h GLY 94 N -0.79 -0.58 1.47 7.32 0.00 -1.97 -1.86 103.07 106.66 1rbm h GLY 94 Ca -0.45 0.53 -0.11 0.00 0.00 0.00 0.00 47.33 47.29 1rbm h GLY 94 CO 0.59 -0.20 -0.29 -2.55 0.00 0.00 0.00 176.54 174.09 1rbm h PRO 95 N -0.37 0.61 0.09 4.80 0.11 -1.98 0.18 132.00 135.44 1rbm h PRO 95 Ca 0.12 -0.26 -0.00 0.00 0.11 0.00 0.00 66.00 65.97 1rbm h PRO 95 Cb 0.59 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.68 1rbm h PRO 95 CO -0.52 0.83 -0.04 0.35 -0.21 0.00 0.00 178.00 178.41 1rbm h PHE 96 N 0.53 -0.12 -0.83 0.65 3.04 -1.93 0.95 116.94 119.24 1rbm h PHE 96 Ca 0.07 -0.00 0.08 0.00 3.98 0.00 0.00 57.97 62.09 1rbm h PHE 96 Cb 0.76 0.04 -0.07 0.00 2.56 0.00 0.00 35.95 39.24 1rbm h PHE 96 CO 0.03 -0.03 0.49 0.28 -2.02 0.00 0.00 178.31 177.06 1rbm h VAL 97 N -0.17 0.96 -0.16 1.41 2.07 -1.13 -1.63 116.25 117.60 1rbm h VAL 97 Ca -0.01 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1rbm h VAL 97 Cb 0.14 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 29.94 1rbm h VAL 97 CO 0.02 0.16 0.07 -0.61 0.02 0.00 0.00 177.57 177.23 1rbm h GLN 98 N 0.85 0.23 -0.95 1.57 4.15 -0.46 -2.20 115.11 118.30 1rbm h GLN 98 Ca 0.38 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.77 1rbm h GLN 98 Cb 0.28 -0.04 -0.05 0.00 0.21 0.00 0.00 27.48 27.89 1rbm h GLN 98 CO -0.22 0.28 0.59 -0.22 -1.93 0.00 0.00 178.83 177.33 1rbm h LYS 99 N 0.12 1.28 -0.52 1.69 3.64 -0.42 -2.83 116.57 119.54 1rbm h LYS 99 Ca 0.05 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1rbm h LYS 99 Cb 0.13 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 31.67 1rbm h LYS 99 CO -0.01 0.89 0.00 0.91 -2.27 0.00 0.00 179.45 178.97 1rbm n TRP 100 N -4.37 0.76 -1.67 1.91 7.02 -0.65 -4.96 117.44 115.49 1rbm n TRP 100 Ca 0.11 -0.34 -0.44 0.00 -1.02 0.00 0.00 57.50 55.81 1rbm n TRP 100 Cb 0.05 -0.08 -0.03 0.00 -2.42 0.00 0.00 31.31 28.82 1rbm n TRP 100 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 1rbm n ASN 101 N 0.75 3.94 0.00 -0.99 4.05 -0.84 -0.44 115.26 121.72 1rbm n ASN 101 Ca 0.16 0.95 0.00 0.00 0.45 0.00 0.00 54.58 56.13 1rbm n ASN 101 Cb 0.48 -1.49 0.00 0.00 1.23 0.00 0.00 39.78 40.00 1rbm n ASN 101 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1rbm n GLY 102 N 4.40 0.84 0.00 8.20 0.00 -1.26 -4.87 105.19 112.49 1rbm n GLY 102 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1rbm n GLY 102 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rbm n LYS 103 N -2.17 0.59 -4.30 1.61 4.76 0.41 -4.75 118.16 114.32 1rbm n LYS 103 Ca 0.00 -0.63 -0.27 0.00 -2.87 0.00 0.00 58.31 54.54 1rbm n LYS 103 Cb 0.00 -0.69 -0.17 0.00 -1.84 0.00 0.00 35.03 32.33 1rbm n LYS 103 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 1rbm s MET 104 N -0.24 1.82 0.13 1.97 1.75 -1.03 -0.50 119.30 123.19 1rbm s MET 104 Ca 0.00 -0.41 0.07 0.00 -1.25 0.00 0.00 55.69 54.10 1rbm s MET 104 Cb 0.00 -1.63 -0.04 0.00 2.84 0.00 0.00 34.83 36.00 1rbm s MET 104 CO 0.00 -0.11 -0.07 -0.51 -0.65 0.00 0.00 175.02 173.68 1rbm s LEU 105 N 1.13 3.12 0.06 4.11 1.43 0.66 -1.46 118.68 127.73 1rbm s LEU 105 Ca -0.05 -0.40 0.05 0.00 -1.03 0.00 0.00 54.13 52.70 1rbm s LEU 105 Cb -0.14 -1.87 -0.03 0.00 0.03 0.00 0.00 46.19 44.19 1rbm s LEU 105 CO -0.02 0.15 -0.14 0.21 0.23 0.00 0.00 176.35 176.77 1rbm s ASN 106 N -2.45 1.65 -0.16 2.29 2.47 -0.06 -0.27 114.94 118.42 1rbm s ASN 106 Ca 0.23 -0.54 -0.04 0.00 0.42 0.00 0.00 52.86 52.93 1rbm s ASN 106 Cb -0.10 -0.07 -0.03 0.00 -1.45 0.00 0.00 41.25 39.59 1rbm s ASN 106 CO 0.15 -0.03 -0.01 -0.51 -3.72 0.00 0.00 177.10 172.99 1rbm s ILE 107 N -1.08 4.17 -0.07 -5.21 1.10 -1.23 -1.45 121.20 117.43 1rbm s ILE 107 Ca -0.01 -0.26 0.03 0.00 -0.51 0.00 0.00 60.65 59.90 1rbm s ILE 107 Cb -0.09 -2.84 0.01 0.00 0.15 0.00 0.00 42.46 39.69 1rbm s ILE 107 CO 0.02 0.50 -0.15 -2.28 -2.11 0.00 0.00 174.94 170.92 1rbm s HIS 108 N 0.23 1.65 -0.11 3.50 5.65 0.16 -4.81 115.29 121.57 1rbm s HIS 108 Ca -0.01 -0.60 -0.05 0.00 0.25 0.00 0.00 55.06 54.66 1rbm s HIS 108 Cb -0.13 -1.17 -0.15 0.00 -1.18 0.00 0.00 32.58 29.95 1rbm s HIS 108 CO 0.02 -0.28 3.18 -0.35 -0.65 0.00 0.00 174.74 176.66 1rbm n PRO 109 N 3.65 1.95 -3.99 2.88 -0.04 -1.26 -0.82 135.00 137.36 1rbm n PRO 109 Ca -0.21 -1.18 -0.09 0.00 -0.04 0.00 0.00 63.50 61.98 1rbm n PRO 109 Cb 0.52 -1.89 -0.05 0.00 -0.04 0.00 0.00 33.50 32.05 1rbm n PRO 109 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1rbm s SER 110 N 1.58 -0.01 -0.94 3.54 1.04 -0.14 -4.52 113.70 114.25 1rbm s SER 110 Ca 0.55 -0.97 -0.18 0.00 0.48 0.00 0.00 55.95 55.83 1rbm s SER 110 Cb 0.29 0.61 0.14 0.00 0.10 0.00 0.00 66.02 67.16 1rbm s SER 110 CO -0.05 -1.18 1.11 -0.76 0.98 0.00 0.00 173.24 173.34 1rbm s LEU 111 N -3.03 5.25 0.50 2.42 1.43 -1.24 -2.40 118.68 121.59 1rbm s LEU 111 Ca 0.22 -2.18 -0.22 0.00 -1.03 0.00 0.00 54.13 50.92 1rbm s LEU 111 Cb -0.01 -2.38 -0.08 0.00 0.03 0.00 0.00 46.19 43.76 1rbm s LEU 111 CO 0.10 -0.99 1.13 0.18 0.23 0.00 0.00 176.35 177.00 1rbm n LEU 112 N 6.19 3.87 -0.08 1.79 4.77 -1.26 -1.87 117.00 130.40 1rbm n LEU 112 Ca 0.24 0.97 0.09 0.00 -0.03 0.00 0.00 56.01 57.28 1rbm n LEU 112 Cb 0.48 -1.45 0.52 0.00 -2.33 0.00 0.00 43.42 40.65 1rbm n LEU 112 CO 0.49 -1.21 0.84 -0.81 -1.33 0.00 0.00 177.39 175.37 1rbm n PRO 113 N -0.45 1.11 -2.07 3.23 -0.04 -1.26 -5.09 135.00 130.43 1rbm n PRO 113 Ca 0.10 -0.16 -0.39 0.00 -0.04 0.00 0.00 63.50 63.01 1rbm n PRO 113 Cb 0.43 -1.30 -0.01 0.00 -0.04 0.00 0.00 33.50 32.58 1rbm n PRO 113 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1rbm s SER 114 N -1.57 6.32 -1.23 3.54 0.01 -0.78 -4.29 113.70 115.70 1rbm s SER 114 Ca 0.28 2.63 -0.02 0.00 1.31 0.00 0.00 55.95 60.15 1rbm s SER 114 Cb 0.13 -2.64 -0.01 0.00 0.21 0.00 0.00 66.02 63.72 1rbm s SER 114 CO 0.22 -0.84 0.85 0.49 0.41 0.00 0.00 173.24 174.37 1rbm n PHE 115 N 0.11 -2.08 -1.75 2.43 3.72 -1.26 -4.40 117.46 114.22 1rbm n PHE 115 Ca 0.04 0.86 -0.38 0.00 -0.05 0.00 0.00 57.45 57.92 1rbm n PHE 115 Cb 0.44 -4.60 0.06 0.00 -0.94 0.00 0.00 39.48 34.43 1rbm n PHE 115 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1rbm s LYS 116 N -5.56 2.83 0.00 -1.08 1.02 -1.26 -4.54 119.74 111.16 1rbm s LYS 116 Ca 0.07 2.16 0.00 0.00 0.02 0.00 0.00 55.97 58.23 1rbm s LYS 116 Cb -0.01 -2.05 0.00 0.00 -0.52 0.00 0.00 37.83 35.25 1rbm s LYS 116 CO 0.77 -1.41 0.00 0.41 -0.92 0.00 0.00 175.35 174.20 1rbm n GLY 117 N 0.82 1.31 0.08 -3.33 0.00 -1.26 -4.82 105.19 97.99 1rbm n GLY 117 Ca 0.13 -2.13 0.14 0.00 0.00 0.00 0.00 46.02 44.16 1rbm n GLY 117 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1rbm n SER 118 N 0.00 0.37 -2.24 1.61 3.41 -1.26 -3.75 113.62 111.75 1rbm n SER 118 Ca 0.00 -0.37 -0.27 0.00 -0.26 0.00 0.00 58.87 57.96 1rbm n SER 118 Cb 0.00 -0.11 0.02 0.00 -0.26 0.00 0.00 64.21 63.86 1rbm n SER 118 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1rbm n ASN 119 N -1.10 5.38 -0.36 4.04 6.94 -1.26 -4.87 115.26 124.03 1rbm n ASN 119 Ca 0.13 -3.75 0.02 0.00 -0.02 0.00 0.00 54.58 50.96 1rbm n ASN 119 Cb 0.29 -0.50 0.17 0.00 -2.36 0.00 0.00 39.78 37.37 1rbm n ASN 119 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1rbm h ALA 120 N 2.32 1.35 -0.31 -2.53 0.00 -1.80 -1.34 119.26 116.95 1rbm h ALA 120 Ca 0.39 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 1rbm h ALA 120 Cb 1.18 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1rbm h ALA 120 CO 0.93 0.41 0.15 0.45 0.00 0.00 0.00 179.25 181.19 1rbm h HIS 121 N 1.14 0.46 -0.68 0.00 3.86 -1.90 0.69 115.15 118.72 1rbm h HIS 121 Ca 0.42 -0.02 0.06 0.00 -1.16 0.00 0.00 60.37 59.67 1rbm h HIS 121 Cb 0.17 -0.14 -0.06 0.00 1.06 0.00 0.00 27.41 28.44 1rbm h HIS 121 CO -0.01 0.41 0.38 1.49 0.86 0.00 0.00 177.93 181.06 1rbm h GLU 122 N 0.37 0.67 -0.23 2.45 4.81 -1.78 -0.78 114.58 120.09 1rbm h GLU 122 Ca 0.11 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 1rbm h GLU 122 Cb 0.13 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 1rbm h GLU 122 CO -0.01 0.44 0.12 1.96 -0.73 0.00 0.00 179.01 180.79 1rbm h GLN 123 N 0.69 0.33 -0.23 1.92 4.20 -0.93 -1.55 115.11 119.54 1rbm h GLN 123 Ca 0.31 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.99 1rbm h GLN 123 Cb 0.21 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 1rbm h GLN 123 CO -0.19 0.32 0.13 0.00 -0.67 0.00 0.00 178.83 178.42 1rbm h ALA 124 N 1.00 0.28 -0.21 3.87 0.00 -0.28 0.18 119.26 124.10 1rbm h ALA 124 Ca 0.08 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1rbm h ALA 124 Cb 0.09 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1rbm h ALA 124 CO -0.01 -0.27 0.09 -0.07 0.00 0.00 0.00 179.25 178.99 1rbm h LEU 125 N 0.27 0.28 -1.19 0.00 3.38 -1.12 -1.99 115.31 114.93 1rbm h LEU 125 Ca 0.09 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1rbm h LEU 125 Cb 0.00 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1rbm h LEU 125 CO -0.05 0.34 0.09 -0.08 0.09 0.00 0.00 178.44 178.84 1rbm h GLU 126 N 0.19 0.65 0.00 1.13 4.81 -1.08 -2.06 114.58 118.22 1rbm h GLU 126 Ca 0.07 -0.12 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 1rbm h GLU 126 Cb 0.15 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 1rbm h GLU 126 CO -0.01 0.61 -0.14 1.15 -0.73 0.00 0.00 179.01 179.88 1rbm h THR 127 N 0.63 0.32 -0.30 0.32 2.02 -0.46 -3.48 112.91 111.96 1rbm h THR 127 Ca 0.14 -1.01 -0.07 0.00 0.77 0.00 0.00 66.41 66.24 1rbm h THR 127 Cb 0.26 1.78 -0.02 0.00 -1.74 0.00 0.00 68.15 68.44 1rbm h THR 127 CO -0.00 0.14 -0.07 0.61 0.37 0.00 0.00 175.52 176.57 1rbm n GLY 128 N 0.36 0.45 3.75 2.16 0.00 -0.77 -5.04 105.19 106.11 1rbm n GLY 128 Ca 0.01 -0.85 -0.35 0.00 0.00 0.00 0.00 46.02 44.83 1rbm n GLY 128 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1rbm s VAL 129 N -2.14 2.66 -0.65 1.61 -7.23 -1.18 -4.95 120.40 108.53 1rbm s VAL 129 Ca 0.00 0.37 0.19 0.00 -1.81 0.00 0.00 61.98 60.73 1rbm s VAL 129 Cb 0.00 -3.04 -0.23 0.00 0.56 0.00 0.00 36.38 33.67 1rbm s VAL 129 CO 0.00 -0.13 0.69 0.35 -0.31 0.00 0.00 175.10 175.70 1rbm n THR 130 N -1.98 0.00 -4.43 5.32 -2.24 -1.26 -4.71 114.28 104.99 1rbm n THR 130 Ca 0.13 -0.16 -0.28 0.00 -2.27 0.00 0.00 64.05 61.47 1rbm n THR 130 Cb 0.50 0.75 -0.17 0.00 -2.10 0.00 0.00 70.33 69.32 1rbm n THR 130 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1rbm s VAL 131 N -2.90 1.44 0.00 2.28 1.01 -1.26 -0.38 120.40 120.58 1rbm s VAL 131 Ca 0.03 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.41 1rbm s VAL 131 Cb 0.14 -1.32 0.00 0.00 0.00 0.00 0.00 36.38 35.19 1rbm s VAL 131 CO 0.77 0.43 0.00 1.07 0.00 0.00 0.00 175.10 177.37 1rbm n THR 132 N 4.22 0.00 -2.45 3.92 5.66 0.13 -4.91 114.28 120.86 1rbm n THR 132 Ca -0.19 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.81 1rbm n THR 132 Cb 0.51 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.29 1rbm n THR 132 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1rbm n GLY 133 N 3.18 -0.54 3.18 1.09 0.00 -1.26 0.02 105.19 110.85 1rbm n GLY 133 Ca 0.00 -0.83 -0.11 0.00 0.00 0.00 0.00 46.02 45.08 1rbm n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rbm s THR 135 N -3.63 0.48 -0.20 0.00 2.01 0.00 -1.97 115.64 112.33 1rbm s THR 135 Ca 0.14 -0.10 -0.13 0.00 0.31 0.00 0.00 61.69 61.91 1rbm s THR 135 Cb 0.05 -0.51 -0.05 0.00 0.01 0.00 0.00 72.50 72.01 1rbm s THR 135 CO -0.03 0.21 0.27 -0.69 -0.69 0.00 0.00 174.62 173.69 1rbm s VAL 136 N 0.89 5.30 0.05 3.82 1.01 -0.46 -0.66 120.40 130.34 1rbm s VAL 136 Ca -0.11 0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.33 1rbm s VAL 136 Cb -0.14 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 1rbm s VAL 136 CO 0.00 0.34 -0.05 -1.38 0.00 0.00 0.00 175.10 174.01 1rbm s HIS 137 N 0.89 0.57 0.40 5.22 -0.00 -0.53 -0.13 115.29 121.71 1rbm s HIS 137 Ca 0.14 -0.79 -0.26 0.00 -0.00 0.00 0.00 55.06 54.15 1rbm s HIS 137 Cb -0.13 -0.37 -0.09 0.00 -0.00 0.00 0.00 32.58 31.99 1rbm s HIS 137 CO 0.05 -0.22 1.30 -0.06 -0.00 0.00 0.00 174.74 175.80 1rbm s PHE 138 N -2.74 2.84 -0.29 0.38 0.08 0.27 -0.88 117.98 117.64 1rbm s PHE 138 Ca -0.01 1.41 -0.29 0.00 0.12 0.00 0.00 56.93 58.16 1rbm s PHE 138 Cb -0.01 -3.66 0.01 0.00 -0.57 0.00 0.00 43.02 38.79 1rbm s PHE 138 CO -0.05 -2.05 1.11 0.08 -0.10 0.00 0.00 175.22 174.21 1rbm s VAL 139 N -1.26 4.49 0.47 -0.44 1.01 -0.53 -3.69 120.40 120.44 1rbm s VAL 139 Ca 0.57 1.73 0.06 0.00 0.00 0.00 0.00 61.98 64.34 1rbm s VAL 139 Cb -0.38 -4.34 -0.00 0.00 0.00 0.00 0.00 36.38 31.66 1rbm s VAL 139 CO 0.49 -0.40 0.31 0.00 0.00 0.00 0.00 175.10 175.50 1rbm s ALA 140 N 3.63 4.08 0.08 5.51 0.00 -1.26 -4.80 121.76 129.01 1rbm s ALA 140 Ca 0.47 -1.61 -0.24 0.00 0.00 0.00 0.00 51.96 50.58 1rbm s ALA 140 Cb -0.14 -0.65 -0.16 0.00 0.00 0.00 0.00 23.12 22.17 1rbm s ALA 140 CO 0.14 -0.29 1.70 1.49 0.00 0.00 0.00 175.76 178.80 1rbm h GLU 141 N 1.04 -0.05 -6.46 0.00 4.81 -1.94 -3.40 114.58 108.59 1rbm h GLU 141 Ca -0.40 0.00 -0.53 0.00 -0.13 0.00 0.00 59.36 58.30 1rbm h GLU 141 Cb 1.28 0.01 0.02 0.00 0.63 0.00 0.00 28.75 30.69 1rbm h GLU 141 CO 0.62 0.00 0.94 -0.51 -0.73 0.00 0.00 179.01 179.33 1rbm s ASP 142 N -5.18 6.66 0.31 1.04 1.01 -1.26 -4.93 116.67 114.32 1rbm s ASP 142 Ca -0.13 2.42 -0.29 0.00 0.71 0.00 0.00 52.55 55.25 1rbm s ASP 142 Cb 0.06 -2.57 -0.12 0.00 1.01 0.00 0.00 42.92 41.30 1rbm s ASP 142 CO 0.66 -0.83 1.48 0.52 0.21 0.00 0.00 175.17 177.21 1rbm n VAL 143 N 4.58 1.44 -2.78 -1.27 0.31 -1.26 -2.91 118.33 116.43 1rbm n VAL 143 Ca 0.15 -0.36 -0.18 0.00 -0.01 0.00 0.00 64.34 63.94 1rbm n VAL 143 Cb 0.41 -1.82 0.00 0.00 -0.91 0.00 0.00 33.84 31.52 1rbm n VAL 143 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1rbm n ASP 144 N 1.47 -4.38 0.00 4.52 8.00 -1.26 -4.80 116.55 120.09 1rbm n ASP 144 Ca 0.06 -0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.51 1rbm n ASP 144 Cb 0.36 -3.65 0.00 0.00 -0.02 0.00 0.00 41.12 37.81 1rbm n ASP 144 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rbm n ALA 145 N -2.76 1.15 -1.33 2.24 0.00 -1.15 -4.94 120.51 113.73 1rbm n ALA 145 Ca -0.11 -0.50 -0.29 0.00 0.00 0.00 0.00 53.44 52.53 1rbm n ALA 145 Cb 0.60 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.20 1rbm n ALA 145 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1rbm s GLY 146 N -0.22 1.58 0.24 0.00 0.00 -1.24 -4.91 107.32 102.77 1rbm s GLY 146 Ca 0.00 -0.38 -0.30 0.00 0.00 0.00 0.00 44.72 44.04 1rbm s GLY 146 CO 0.00 0.19 1.52 1.20 0.00 0.00 0.00 173.10 176.01 1rbm s GLN 147 N -5.09 4.21 0.03 2.90 -1.52 -1.25 -4.57 119.66 114.37 1rbm s GLN 147 Ca 0.64 2.41 -0.30 0.00 -1.95 0.00 0.00 55.36 56.16 1rbm s GLN 147 Cb -0.17 -3.09 -0.04 0.00 -0.22 0.00 0.00 33.01 29.49 1rbm s GLN 147 CO 0.56 -0.54 0.95 0.42 -0.25 0.00 0.00 175.29 176.44 1rbm s ILE 148 N 0.30 4.77 -0.20 1.08 1.01 -1.26 -0.56 121.20 126.34 1rbm s ILE 148 Ca 0.63 2.02 -0.16 0.00 0.00 0.00 0.00 60.65 63.15 1rbm s ILE 148 Cb -0.44 -4.30 -0.08 0.00 0.01 0.00 0.00 42.46 37.64 1rbm s ILE 148 CO 0.41 0.21 -0.27 -0.38 0.00 0.00 0.00 174.94 174.91 1rbm n ILE 149 N 3.55 1.50 -4.04 2.92 5.41 0.81 -4.92 119.36 124.59 1rbm n ILE 149 Ca 0.04 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.71 1rbm n ILE 149 Cb 0.50 -2.21 -0.11 0.00 -0.71 0.00 0.00 39.64 37.12 1rbm n ILE 149 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1rbm s LEU 150 N -7.86 2.34 0.04 1.39 1.43 -1.14 -5.03 118.68 109.85 1rbm s LEU 150 Ca -0.29 -0.70 -0.01 0.00 -1.03 0.00 0.00 54.13 52.10 1rbm s LEU 150 Cb 0.07 0.09 -0.03 0.00 0.03 0.00 0.00 46.19 46.34 1rbm s LEU 150 CO 0.42 -0.39 -0.03 -1.10 0.23 0.00 0.00 176.35 175.48 1rbm s GLN 151 N -2.41 0.52 -0.06 1.70 -0.21 -1.26 -1.36 119.66 116.58 1rbm s GLN 151 Ca -0.06 -1.03 -0.02 0.00 0.02 0.00 0.00 55.36 54.26 1rbm s GLN 151 Cb -0.03 0.17 0.04 0.00 1.00 0.00 0.00 33.01 34.19 1rbm s GLN 151 CO -0.04 -0.09 0.13 -2.00 -2.12 0.00 0.00 175.29 171.17 1rbm s GLU 152 N -3.16 0.06 0.36 2.91 2.12 -0.83 -5.01 118.70 115.15 1rbm s GLU 152 Ca -0.00 0.37 -0.26 0.00 0.36 0.00 0.00 54.97 55.43 1rbm s GLU 152 Cb 0.02 -0.21 -0.09 0.00 0.26 0.00 0.00 34.13 34.11 1rbm s GLU 152 CO -0.07 -0.19 1.08 0.00 -0.54 0.00 0.00 175.26 175.54 1rbm s ALA 153 N 1.30 3.20 -0.03 6.30 0.00 -1.26 -1.68 121.76 129.59 1rbm s ALA 153 Ca -0.08 0.79 0.01 0.00 0.00 0.00 0.00 51.96 52.69 1rbm s ALA 153 Cb -0.12 -3.30 0.02 0.00 0.00 0.00 0.00 23.12 19.72 1rbm s ALA 153 CO -0.05 -0.22 -0.02 0.08 0.00 0.00 0.00 175.76 175.54 1rbm s VAL 154 N -1.46 0.30 0.49 0.00 1.01 0.10 -4.90 120.40 115.94 1rbm s VAL 154 Ca 0.53 0.00 -0.21 0.00 0.00 0.00 0.00 61.98 62.30 1rbm s VAL 154 Cb -0.26 -0.36 -0.07 0.00 0.00 0.00 0.00 36.38 35.69 1rbm s VAL 154 CO 0.33 0.17 1.14 -2.16 0.00 0.00 0.00 175.10 174.58 1rbm s PRO 155 N 0.91 3.61 -0.17 2.72 0.04 -1.26 0.17 135.00 141.01 1rbm s PRO 155 Ca -0.10 1.69 -0.12 0.00 0.04 0.00 0.00 61.00 62.51 1rbm s PRO 155 Cb -0.13 -2.24 -0.05 0.00 0.04 0.00 0.00 34.50 32.12 1rbm s PRO 155 CO -0.01 -0.66 0.23 0.08 0.04 0.00 0.00 177.00 176.68 1rbm s VAL 156 N -1.65 5.35 0.03 -0.36 1.01 0.48 -4.76 120.40 120.50 1rbm s VAL 156 Ca 0.67 0.41 -0.14 0.00 0.00 0.00 0.00 61.98 62.92 1rbm s VAL 156 Cb -0.26 -3.56 -0.06 0.00 0.00 0.00 0.00 36.38 32.50 1rbm s VAL 156 CO 0.31 0.42 0.43 -0.54 0.00 0.00 0.00 175.10 175.72 1rbm s LYS 157 N 0.33 3.90 0.04 2.72 1.02 -1.26 -4.81 119.74 121.69 1rbm s LYS 157 Ca 0.13 0.38 -0.35 0.00 0.02 0.00 0.00 55.97 56.15 1rbm s LYS 157 Cb -0.12 -3.14 -0.14 0.00 -0.52 0.00 0.00 37.83 33.90 1rbm s LYS 157 CO 0.02 0.64 1.62 0.54 -0.92 0.00 0.00 175.35 177.25 1rbm n ARG 158 N 1.52 1.87 -0.32 1.68 1.74 -1.26 -0.93 116.66 120.95 1rbm n ARG 158 Ca -0.12 0.68 0.00 0.00 -0.77 0.00 0.00 57.85 57.64 1rbm n ARG 158 Cb 0.52 -2.43 0.00 0.00 -1.02 0.00 0.00 32.46 29.53 1rbm n ARG 158 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rbm n GLY 159 N 3.55 0.66 3.64 -0.13 0.00 -1.26 -5.05 105.19 106.61 1rbm n GLY 159 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1rbm n GLY 159 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rbm n ASP 160 N 0.00 1.61 -4.97 1.61 8.00 -0.11 -5.04 116.55 117.65 1rbm n ASP 160 Ca 0.00 1.02 -0.22 0.00 0.71 0.00 0.00 54.79 56.29 1rbm n ASP 160 Cb 0.00 -1.41 0.03 0.00 -0.02 0.00 0.00 41.12 39.72 1rbm n ASP 160 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1rbm s THR 161 N -1.29 2.01 0.18 -3.53 -4.23 -1.26 -4.95 115.64 102.57 1rbm s THR 161 Ca 0.65 -1.22 -0.13 0.00 -1.18 0.00 0.00 61.69 59.81 1rbm s THR 161 Cb -0.51 -2.23 0.08 0.00 1.34 0.00 0.00 72.50 71.18 1rbm s THR 161 CO 0.55 0.00 1.80 0.58 -0.54 0.00 0.00 174.62 177.01 1rbm h VAL 162 N 0.48 0.99 -0.30 2.29 2.07 -1.96 -1.44 116.25 118.38 1rbm h VAL 162 Ca -0.34 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.00 1rbm h VAL 162 Cb 1.29 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 1rbm h VAL 162 CO 0.49 0.10 0.19 0.00 0.02 0.00 0.00 177.57 178.37 1rbm h ALA 163 N 1.27 0.38 -0.17 1.67 0.00 -1.98 0.24 119.26 120.67 1rbm h ALA 163 Ca 0.23 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.01 1rbm h ALA 163 Cb 0.11 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1rbm h ALA 163 CO -0.14 -0.16 -0.34 1.79 0.00 0.00 0.00 179.25 180.39 1rbm h THR 164 N 0.40 1.34 -0.43 0.00 1.35 -1.92 -1.96 112.91 111.69 1rbm h THR 164 Ca 0.11 -1.59 0.02 0.00 -0.55 0.00 0.00 66.41 64.40 1rbm h THR 164 Cb -0.04 1.93 -0.03 0.00 -1.73 0.00 0.00 68.15 68.29 1rbm h THR 164 CO -0.03 0.48 0.24 0.25 -0.25 0.00 0.00 175.52 176.22 1rbm h LEU 165 N 0.18 0.39 -0.94 3.87 5.85 -1.20 -2.05 115.31 121.41 1rbm h LEU 165 Ca 0.01 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.68 1rbm h LEU 165 Cb 0.94 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.87 1rbm h LEU 165 CO 0.08 0.28 0.19 0.77 -0.34 0.00 0.00 178.44 179.42 1rbm h SER 166 N 0.49 0.90 -0.62 1.25 4.64 -0.49 -1.28 113.55 118.44 1rbm h SER 166 Ca 0.17 -0.16 -0.02 0.00 -0.47 0.00 0.00 61.79 61.31 1rbm h SER 166 Cb 0.03 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 61.85 1rbm h SER 166 CO -0.09 0.85 0.29 -0.08 -0.87 0.00 0.00 176.83 176.93 1rbm h GLU 167 N 0.94 0.89 -0.61 4.77 4.57 -1.20 -0.41 114.58 123.54 1rbm h GLU 167 Ca 0.21 -0.14 -0.02 0.00 -1.18 0.00 0.00 59.36 58.23 1rbm h GLU 167 Cb 0.27 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 28.68 1rbm h GLU 167 CO -0.01 0.72 0.28 -0.09 -1.18 0.00 0.00 179.01 178.74 1rbm h ARG 168 N 0.85 0.88 -0.43 1.92 2.43 -0.88 -2.75 114.38 116.40 1rbm h ARG 168 Ca 0.21 -0.14 -0.11 0.00 -0.81 0.00 0.00 59.98 59.14 1rbm h ARG 168 Cb 0.13 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 1rbm h ARG 168 CO -0.03 0.72 -0.18 0.28 -1.51 0.00 0.00 179.97 179.26 1rbm h VAL 169 N 0.83 1.27 -0.92 0.20 2.07 -1.14 -3.05 116.25 115.51 1rbm h VAL 169 Ca 0.21 -1.28 0.02 0.00 0.82 0.00 0.00 66.70 66.47 1rbm h VAL 169 Cb 0.13 1.13 -0.05 0.00 -1.52 0.00 0.00 31.29 30.98 1rbm h VAL 169 CO -0.02 0.43 0.60 0.50 0.02 0.00 0.00 177.57 179.10 1rbm h LYS 170 N 0.72 1.15 -0.68 1.57 3.64 -0.86 0.17 116.57 122.29 1rbm h LYS 170 Ca 0.11 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1rbm h LYS 170 Cb 0.69 -0.26 -0.03 0.00 -0.41 0.00 0.00 32.23 32.22 1rbm h LYS 170 CO 0.05 0.76 0.44 -0.07 -2.27 0.00 0.00 179.45 178.37 1rbm h LEU 171 N 1.19 0.79 -0.62 5.20 3.38 -1.39 0.42 115.31 124.29 1rbm h LEU 171 Ca 0.35 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 58.15 1rbm h LEU 171 Cb -0.06 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1rbm h LEU 171 CO -0.10 0.58 -0.53 0.00 0.09 0.00 0.00 178.44 178.48 1rbm h ALA 172 N 1.56 0.80 -0.81 1.53 0.00 -1.13 -3.00 119.26 118.20 1rbm h ALA 172 Ca 0.25 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1rbm h ALA 172 Cb -0.09 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 1rbm h ALA 172 CO -0.05 0.68 0.50 0.93 0.00 0.00 0.00 179.25 181.31 1rbm h GLU 173 N 0.35 1.10 -0.16 0.00 5.08 0.39 -2.25 114.58 119.08 1rbm h GLU 173 Ca 0.01 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 1rbm h GLU 173 Cb 1.04 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 1rbm h GLU 173 CO 0.09 0.76 0.01 0.45 -1.00 0.00 0.00 179.01 179.32 1rbm h HIS 174 N 1.12 0.22 0.04 4.33 3.86 -0.82 -1.30 115.15 122.60 1rbm h HIS 174 Ca 0.29 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.49 1rbm h HIS 174 Cb -0.06 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.34 1rbm h HIS 174 CO 0.00 0.23 -0.02 0.87 0.86 0.00 0.00 177.93 179.87 1rbm h LYS 175 N 0.22 -0.05 0.00 2.45 1.57 -1.41 -3.40 116.57 115.95 1rbm h LYS 175 Ca 0.05 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.75 1rbm h LYS 175 Cb 0.15 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1rbm h LYS 175 CO 0.00 0.51 -0.57 -0.84 -0.57 0.00 0.00 179.45 177.98 1rbm h ILE 176 N -0.95 0.57 0.38 1.86 3.07 -1.30 -3.08 117.51 118.05 1rbm h ILE 176 Ca -0.01 -1.85 -0.02 0.00 1.55 0.00 0.00 64.86 64.53 1rbm h ILE 176 Cb 0.58 2.21 0.00 0.00 -0.27 0.00 0.00 36.82 39.35 1rbm h ILE 176 CO 0.01 0.33 -0.18 0.15 -1.05 0.00 0.00 178.15 177.40 1rbm h PHE 177 N 0.00 -0.47 -1.01 0.16 3.04 -1.47 -0.37 116.94 116.83 1rbm h PHE 177 Ca -0.03 -0.01 0.03 0.00 3.98 0.00 0.00 57.97 61.94 1rbm h PHE 177 Cb 1.31 0.16 -0.06 0.00 2.56 0.00 0.00 35.95 39.92 1rbm h PHE 177 CO 0.00 -0.16 0.66 -1.35 -2.02 0.00 0.00 178.31 175.44 1rbm h PRO 178 N -0.77 1.27 -0.64 6.41 0.11 -1.77 0.03 132.00 136.64 1rbm h PRO 178 Ca -0.05 -0.08 -0.03 0.00 0.11 0.00 0.00 66.00 65.96 1rbm h PRO 178 Cb 0.52 -0.29 -0.03 0.00 0.11 0.00 0.00 31.00 31.31 1rbm h PRO 178 CO 0.09 0.84 0.30 0.00 -0.21 0.00 0.00 178.00 179.02 1rbm h ALA 179 N 1.40 0.83 -0.39 -0.75 0.00 -1.44 0.93 119.26 119.84 1rbm h ALA 179 Ca 0.39 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 1rbm h ALA 179 Cb -0.06 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1rbm h ALA 179 CO -0.11 0.40 -0.00 0.00 0.00 0.00 0.00 179.25 179.54 1rbm h ALA 180 N 1.13 0.53 -0.23 0.00 0.00 -0.78 -1.51 119.26 118.39 1rbm h ALA 180 Ca 0.22 -0.26 0.06 0.00 0.00 0.00 0.00 54.91 54.93 1rbm h ALA 180 Cb 0.13 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 1rbm h ALA 180 CO -0.03 0.31 -0.13 1.25 0.00 0.00 0.00 179.25 180.65 1rbm h LEU 181 N 0.52 -0.44 -1.20 0.00 5.85 -0.55 -1.88 115.31 117.61 1rbm h LEU 181 Ca 0.11 0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.96 1rbm h LEU 181 Cb 0.48 0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.70 1rbm h LEU 181 CO 0.02 -0.17 0.55 1.56 -0.34 0.00 0.00 178.44 180.06 1rbm h GLN 182 N -0.11 1.02 -0.44 1.25 1.08 -0.62 0.88 115.11 118.17 1rbm h GLN 182 Ca 0.13 -0.06 -0.08 0.00 -1.45 0.00 0.00 58.65 57.19 1rbm h GLN 182 Cb 0.31 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 27.49 1rbm h GLN 182 CO -0.31 0.68 -0.03 -0.07 -0.95 0.00 0.00 178.83 178.14 1rbm h LEU 183 N 1.05 0.79 -0.10 1.46 3.38 -0.89 -0.86 115.31 120.14 1rbm h LEU 183 Ca 0.33 -0.33 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 1rbm h LEU 183 Cb 0.01 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 40.55 1rbm h LEU 183 CO -0.09 0.93 -0.41 0.58 0.09 0.00 0.00 178.44 179.53 1rbm h VAL 184 N 0.63 1.39 -0.68 1.22 2.07 -1.17 0.58 116.25 120.29 1rbm h VAL 184 Ca 0.12 -1.76 0.01 0.00 0.82 0.00 0.00 66.70 65.88 1rbm h VAL 184 Cb 0.54 2.22 -0.03 0.00 -1.52 0.00 0.00 31.29 32.50 1rbm h VAL 184 CO 0.03 0.52 0.44 0.00 0.02 0.00 0.00 177.57 178.58 1rbm h ALA 185 N 0.47 1.51 -0.00 1.67 0.00 -0.75 0.04 119.26 122.19 1rbm h ALA 185 Ca -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1rbm h ALA 185 Cb 1.05 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1rbm h ALA 185 CO 0.09 0.46 -0.09 -1.13 0.00 0.00 0.00 179.25 178.57 1rbm n SER 186 N -4.43 0.20 -0.19 0.00 3.41 -0.34 -4.64 113.62 107.63 1rbm n SER 186 Ca 0.07 -0.10 -0.03 0.00 -0.26 0.00 0.00 58.87 58.55 1rbm n SER 186 Cb 0.04 -0.22 -0.01 0.00 -0.26 0.00 0.00 64.21 63.76 1rbm n SER 186 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rbm n GLY 187 N 1.37 0.57 0.28 5.00 0.00 0.00 -4.91 105.19 107.50 1rbm n GLY 187 Ca 0.11 -0.37 -0.07 0.00 0.00 0.00 0.00 46.02 45.69 1rbm n GLY 187 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1rbm h THR 188 N 0.00 1.26 -3.46 2.61 2.02 -1.18 -3.42 112.91 110.74 1rbm h THR 188 Ca -0.05 -1.17 -0.68 0.00 0.77 0.00 0.00 66.41 65.28 1rbm h THR 188 Cb 0.31 0.99 -0.31 0.00 -1.74 0.00 0.00 68.15 67.40 1rbm h THR 188 CO 0.08 0.41 -0.85 -0.69 0.37 0.00 0.00 175.52 174.84 1rbm s VAL 189 N -4.84 2.35 0.12 3.16 1.01 -0.30 -1.35 120.40 120.55 1rbm s VAL 189 Ca -0.10 -0.92 0.05 0.00 0.00 0.00 0.00 61.98 61.01 1rbm s VAL 189 Cb 0.14 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 1rbm s VAL 189 CO 0.83 0.55 -0.12 -1.10 0.00 0.00 0.00 175.10 175.26 1rbm s GLN 190 N 0.23 1.00 -0.13 2.72 -0.21 0.20 -4.27 119.66 119.19 1rbm s GLN 190 Ca -0.14 -1.28 -0.27 0.00 0.02 0.00 0.00 55.36 53.69 1rbm s GLN 190 Cb -0.17 -0.75 -0.01 0.00 1.00 0.00 0.00 33.01 33.08 1rbm s GLN 190 CO 0.07 0.13 0.92 -1.17 -2.12 0.00 0.00 175.29 173.11 1rbm s LEU 191 N -2.65 4.22 0.91 2.90 2.96 -1.26 -0.29 118.68 125.47 1rbm s LEU 191 Ca 0.10 1.37 -0.12 0.00 -0.22 0.00 0.00 54.13 55.26 1rbm s LEU 191 Cb -0.03 -3.40 0.14 0.00 0.50 0.00 0.00 46.19 43.40 1rbm s LEU 191 CO 0.02 -0.41 1.14 -0.83 -1.32 0.00 0.00 176.35 174.96 1rbm s GLY 192 N 1.10 1.58 0.48 7.98 0.00 -0.03 -4.93 107.32 113.50 1rbm s GLY 192 Ca 0.44 -0.56 0.22 0.00 0.00 0.00 0.00 44.72 44.82 1rbm s GLY 192 CO 0.16 0.00 2.00 0.83 0.00 0.00 0.00 173.10 176.09 1rbm h GLU 193 N -1.48 0.00 -0.05 2.90 5.08 -1.98 -2.22 114.58 116.84 1rbm h GLU 193 Ca -0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1rbm h GLU 193 Cb 1.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.58 1rbm h GLU 193 CO 0.61 0.18 0.00 0.27 -1.00 0.00 0.00 179.01 179.07 1rbm n ASN 194 N -3.87 0.63 0.00 1.42 6.94 -1.26 -4.92 115.26 114.20 1rbm n ASN 194 Ca -0.02 -1.43 0.00 0.00 -0.02 0.00 0.00 54.58 53.11 1rbm n ASN 194 Cb 0.27 -0.03 0.00 0.00 -2.36 0.00 0.00 39.78 37.66 1rbm n ASN 194 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1rbm n GLY 195 N 0.96 0.89 3.93 4.83 0.00 -0.83 -5.04 105.19 109.92 1rbm n GLY 195 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 1rbm n GLY 195 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rbm s LYS 196 N -0.21 3.50 0.11 1.61 -0.14 -1.26 -4.77 119.74 118.58 1rbm s LYS 196 Ca 0.00 -0.39 -0.31 0.00 -1.36 0.00 0.00 55.97 53.91 1rbm s LYS 196 Cb 0.00 -2.89 -0.08 0.00 -1.68 0.00 0.00 37.83 33.18 1rbm s LYS 196 CO 0.00 0.46 1.37 0.42 -0.76 0.00 0.00 175.35 176.85 1rbm s ILE 197 N -1.77 3.37 -0.11 2.17 -1.09 -1.26 -0.85 121.20 121.66 1rbm s ILE 197 Ca 0.37 0.98 0.03 0.00 -2.23 0.00 0.00 60.65 59.81 1rbm s ILE 197 Cb -0.11 -3.63 0.01 0.00 -1.58 0.00 0.00 42.46 37.14 1rbm s ILE 197 CO 0.28 0.07 -0.21 0.00 -1.23 0.00 0.00 174.94 173.86 1rbm s TRP 199 N 0.63 3.19 -2.00 0.00 0.52 -1.26 -0.63 118.94 119.38 1rbm s TRP 199 Ca -0.13 -0.60 0.04 0.00 0.02 0.00 0.00 56.10 55.43 1rbm s TRP 199 Cb -0.16 -3.00 0.23 0.00 -1.15 0.00 0.00 33.47 29.38 1rbm s TRP 199 CO 0.03 -0.75 0.70 0.28 0.02 0.00 0.00 176.95 177.23