#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rml n LEU 2 N 0.00 0.00 -3.15 4.03 0.00 -1.26 -5.16 117.00 111.46 2rml n LEU 2 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 56.01 56.03 2rml n LEU 2 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 43.42 43.42 2rml n LEU 2 CO 0.00 0.00 0.15 -0.44 0.00 0.00 0.00 177.39 177.10 2rml s SER 3 N 1.60 -1.38 -0.24 1.96 0.01 -1.26 -5.11 113.70 109.28 2rml s SER 3 Ca 0.00 -0.39 -0.13 0.00 1.31 0.00 0.00 55.95 56.73 2rml s SER 3 Cb 0.00 1.80 0.07 0.00 0.21 0.00 0.00 66.02 68.10 2rml s SER 3 CO 0.00 -0.19 0.58 -1.83 0.41 0.00 0.00 173.24 172.21 2rml s GLU 4 N 2.21 0.59 0.05 12.44 -1.05 -1.26 -5.18 118.70 126.50 2rml s GLU 4 Ca 0.15 1.05 -0.01 0.00 -0.15 0.00 0.00 54.97 56.01 2rml s GLU 4 Cb -0.05 0.08 -0.04 0.00 -0.44 0.00 0.00 34.13 33.68 2rml s GLU 4 CO -0.14 -0.15 -0.02 -0.65 0.95 0.00 0.00 175.26 175.24 2rml s GLN 5 N 1.52 0.61 0.06 -4.83 -0.21 -1.26 -4.88 119.66 110.66 2rml s GLN 5 Ca -0.10 -1.20 0.03 0.00 0.02 0.00 0.00 55.36 54.12 2rml s GLN 5 Cb -0.06 0.21 -0.03 0.00 1.00 0.00 0.00 33.01 34.13 2rml s GLN 5 CO -0.17 -0.11 -0.10 0.15 -2.12 0.00 0.00 175.29 172.94 2rml s LYS 6 N -3.87 0.65 0.65 2.91 -0.14 -0.58 -4.94 119.74 114.43 2rml s LYS 6 Ca 0.06 -0.85 -0.05 0.00 -1.36 0.00 0.00 55.97 53.77 2rml s LYS 6 Cb 0.08 -0.50 0.04 0.00 -1.68 0.00 0.00 37.83 35.77 2rml s LYS 6 CO -0.10 0.10 0.95 -1.83 -0.76 0.00 0.00 175.35 173.71 2rml s GLU 7 N -1.71 2.43 -0.13 1.68 1.03 -1.26 -1.53 118.70 119.20 2rml s GLU 7 Ca -0.06 -0.28 -0.29 0.00 0.03 0.00 0.00 54.97 54.37 2rml s GLU 7 Cb -0.10 -2.25 0.07 0.00 -0.80 0.00 0.00 34.13 31.06 2rml s GLU 7 CO 0.01 -1.02 0.72 -1.50 -1.33 0.00 0.00 175.26 172.14 2rml s ILE 8 N -3.10 0.00 0.06 1.83 -1.16 0.06 -4.95 121.20 113.94 2rml s ILE 8 Ca 0.58 0.00 0.04 0.00 -0.51 0.00 0.00 60.65 60.76 2rml s ILE 8 Cb -0.11 -1.00 -0.03 0.00 0.61 0.00 0.00 42.46 41.94 2rml s ILE 8 CO 0.44 0.00 -0.12 0.00 -2.81 0.00 0.00 174.94 172.45 2rml s ALA 9 N -0.66 0.95 0.07 1.50 0.00 -1.26 -0.60 121.76 121.77 2rml s ALA 9 Ca -0.07 -0.93 -0.11 0.00 0.00 0.00 0.00 51.96 50.85 2rml s ALA 9 Cb -0.02 -0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.07 2rml s ALA 9 CO 0.06 0.09 0.25 -1.64 0.00 0.00 0.00 175.76 174.52 2rml s MET 10 N -1.75 0.83 0.25 0.00 -1.94 -0.28 -3.84 119.30 112.57 2rml s MET 10 Ca -0.04 -0.71 -0.15 0.00 -1.71 0.00 0.00 55.69 53.07 2rml s MET 10 Cb -0.10 0.35 -0.08 0.00 2.01 0.00 0.00 34.83 37.01 2rml s MET 10 CO 0.01 -0.27 0.67 -1.14 -0.01 0.00 0.00 175.02 174.29 2rml s GLN 11 N -3.17 4.03 -0.13 2.03 -0.44 -1.26 -0.46 119.66 120.26 2rml s GLN 11 Ca -0.01 0.63 -0.04 0.00 -2.50 0.00 0.00 55.36 53.44 2rml s GLN 11 Cb 0.01 -2.66 0.06 0.00 -1.64 0.00 0.00 33.01 28.78 2rml s GLN 11 CO -0.07 0.30 0.23 0.54 0.50 0.00 0.00 175.29 176.78 2rml s VAL 12 N -1.75 -0.36 0.26 1.34 0.11 0.72 -4.66 120.40 116.06 2rml s VAL 12 Ca 0.47 0.26 0.05 0.00 -2.93 0.00 0.00 61.98 59.83 2rml s VAL 12 Cb -0.13 -0.43 -0.03 0.00 -1.53 0.00 0.00 36.38 34.27 2rml s VAL 12 CO 0.19 0.09 0.38 -0.55 -3.33 0.00 0.00 175.10 171.88 2rml s SER 13 N 2.37 6.22 0.00 3.54 0.15 0.85 -4.60 113.70 122.23 2rml s SER 13 Ca 0.03 -0.00 0.00 0.00 0.70 0.00 0.00 55.95 56.67 2rml s SER 13 Cb -0.12 -1.70 0.00 0.00 -1.71 0.00 0.00 66.02 62.49 2rml s SER 13 CO -0.08 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 174.81 2rml n GLY 14 N -1.46 0.78 2.01 9.45 0.00 -1.26 -0.86 105.19 113.85 2rml n GLY 14 Ca -0.07 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.83 2rml n GLY 14 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2rml n MET 15 N -1.90 1.96 -0.45 1.61 2.81 -1.26 -4.78 117.12 115.11 2rml n MET 15 Ca 0.00 -0.98 -0.06 0.00 -1.81 0.00 0.00 57.70 54.85 2rml n MET 15 Cb 0.00 -1.99 0.02 0.00 -0.71 0.00 0.00 33.22 30.54 2rml n MET 15 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 2rml n THR 16 N 2.51 1.87 -3.65 2.03 -1.04 -1.26 -4.56 114.28 110.19 2rml n THR 16 Ca 0.42 -0.67 -0.01 0.00 -2.04 0.00 0.00 64.05 61.75 2rml n THR 16 Cb 0.90 -1.17 -0.07 0.00 -1.82 0.00 0.00 70.33 68.17 2rml n THR 16 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2rml h ALA 18 N 3.59 2.24 0.00 0.00 0.00 -2.02 -0.90 119.26 122.17 2rml h ALA 18 Ca -0.27 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2rml h ALA 18 Cb 1.19 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2rml h ALA 18 CO 0.20 -0.74 0.00 0.00 0.00 0.00 0.00 179.25 178.70 2rml n ALA 19 N -2.39 1.85 -0.07 0.00 0.00 -1.26 -2.08 120.51 116.57 2rml n ALA 19 Ca 0.09 -0.07 -0.15 0.00 0.00 0.00 0.00 53.44 53.31 2rml n ALA 19 Cb 0.69 -1.25 -0.06 0.00 0.00 0.00 0.00 19.45 18.83 2rml n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rml h ALA 21 N 0.63 0.19 0.00 0.00 0.00 -1.62 -0.13 119.26 118.33 2rml h ALA 21 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2rml h ALA 21 Cb 1.11 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2rml h ALA 21 CO 0.11 -0.45 0.32 0.00 0.00 0.00 0.00 179.25 179.22 2rml h ALA 22 N 1.24 1.30 0.00 0.00 0.00 -1.64 -0.64 119.26 119.53 2rml h ALA 22 Ca 0.12 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.83 2rml h ALA 22 Cb 0.18 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 2rml h ALA 22 CO -0.24 -0.30 -2.07 0.54 0.00 0.00 0.00 179.25 177.18 2rml n ARG 23 N -2.74 0.67 0.09 0.00 3.00 -0.18 -3.85 116.66 113.64 2rml n ARG 23 Ca -0.02 -0.03 -0.11 0.00 -0.01 0.00 0.00 57.85 57.68 2rml n ARG 23 Cb 0.36 -1.58 -0.07 0.00 0.00 0.00 0.00 32.46 31.17 2rml n ARG 23 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 2rml h ILE 24 N 0.00 0.75 0.17 0.55 1.08 0.09 -1.43 117.51 118.73 2rml h ILE 24 Ca -0.29 -0.95 -0.01 0.00 -0.39 0.00 0.00 64.86 63.22 2rml h ILE 24 Cb 1.70 1.22 0.00 0.00 -3.07 0.00 0.00 36.82 36.67 2rml h ILE 24 CO 0.02 0.18 -0.08 -0.33 -0.69 0.00 0.00 178.15 177.25 2rml h GLU 25 N -0.85 -0.22 -0.17 2.37 5.08 -1.64 -0.53 114.58 118.63 2rml h GLU 25 Ca -0.03 0.02 -0.13 0.00 -1.00 0.00 0.00 59.36 58.22 2rml h GLU 25 Cb 0.51 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 2rml h GLU 25 CO 0.05 -0.02 -0.45 1.57 -1.00 0.00 0.00 179.01 179.15 2rml h LYS 26 N -0.38 0.41 -0.66 2.33 2.10 -1.73 -1.24 116.57 117.41 2rml h LYS 26 Ca -0.02 -0.22 0.03 0.00 -2.00 0.00 0.00 60.65 58.43 2rml h LYS 26 Cb 0.30 0.01 -0.04 0.00 -0.90 0.00 0.00 32.23 31.60 2rml h LYS 26 CO 0.04 0.79 0.43 0.78 -2.00 0.00 0.00 179.45 179.49 2rml h GLY 27 N 1.17 0.89 0.07 0.07 0.00 -1.10 -3.25 103.07 100.92 2rml h GLY 27 Ca 0.02 -0.31 -0.12 0.00 0.00 0.00 0.00 47.33 46.92 2rml h GLY 27 CO 0.08 0.28 -0.63 1.41 0.00 0.00 0.00 176.54 177.68 2rml h LEU 28 N 0.80 0.05 -1.47 3.11 3.38 -0.88 -3.42 115.31 116.87 2rml h LEU 28 Ca 0.26 -0.80 0.00 0.00 0.09 0.00 0.00 57.88 57.43 2rml h LEU 28 Cb 0.05 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2rml h LEU 28 CO -0.07 1.25 0.35 0.50 0.09 0.00 0.00 178.44 180.56 2rml h LYS 29 N -0.92 0.00 0.00 1.13 3.64 -1.26 -0.26 116.57 118.89 2rml h LYS 29 Ca -0.16 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 2rml h LYS 29 Cb 1.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 2rml h LYS 29 CO -0.07 0.00 -0.17 2.89 -2.27 0.00 0.00 179.45 179.82 2rml n ARG 30 N -2.54 0.16 -2.05 1.90 1.85 -1.26 -4.81 116.66 109.91 2rml n ARG 30 Ca -0.01 0.10 -0.42 0.00 -1.00 0.00 0.00 57.85 56.52 2rml n ARG 30 Cb 0.38 -1.66 -0.03 0.00 -1.05 0.00 0.00 32.46 30.11 2rml n ARG 30 CO 0.00 0.00 0.00 -1.64 -0.01 0.00 0.00 177.63 175.98 2rml s MET 31 N -3.07 4.28 0.48 2.89 -1.94 -0.11 -4.90 119.30 116.92 2rml s MET 31 Ca 0.11 2.24 0.15 0.00 -1.71 0.00 0.00 55.69 56.48 2rml s MET 31 Cb 0.15 -3.16 1.15 0.00 2.01 0.00 0.00 34.83 34.98 2rml s MET 31 CO 0.61 -0.45 2.07 -1.00 -0.01 0.00 0.00 175.02 176.25 2rml h PRO 32 N 5.89 0.20 -0.36 2.03 0.13 -1.89 -0.70 132.00 137.29 2rml h PRO 32 Ca -0.44 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2rml h PRO 32 Cb 1.21 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2rml h PRO 32 CO 0.83 0.13 0.00 0.41 -0.23 0.00 0.00 178.00 179.14 2rml n GLY 33 N -1.54 2.07 3.61 1.56 0.00 -1.26 -4.95 105.19 104.68 2rml n GLY 33 Ca 0.03 -0.48 -0.43 0.00 0.00 0.00 0.00 46.02 45.14 2rml n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rml s VAL 34 N -1.05 4.46 0.02 1.61 0.11 -0.27 -0.49 120.40 124.79 2rml s VAL 34 Ca 0.28 1.33 0.01 0.00 -2.93 0.00 0.00 61.98 60.67 2rml s VAL 34 Cb 0.15 -4.43 -0.26 0.00 -1.53 0.00 0.00 36.38 30.31 2rml s VAL 34 CO 0.20 -0.65 0.90 0.00 -3.33 0.00 0.00 175.10 172.22 2rml h THR 35 N 5.91 1.20 -2.54 5.04 1.03 -1.25 -3.46 112.91 118.84 2rml h THR 35 Ca -0.22 -2.88 0.10 0.00 -0.01 0.00 0.00 66.41 63.39 2rml h THR 35 Cb 1.07 2.73 -0.11 0.00 -1.07 0.00 0.00 68.15 70.77 2rml h THR 35 CO 1.03 0.80 0.40 -0.62 -0.01 0.00 0.00 175.52 177.12 2rml s ASP 36 N -6.82 -0.34 0.04 0.00 -1.08 -0.69 -5.02 116.67 102.75 2rml s ASP 36 Ca -0.07 -0.19 0.00 0.00 -0.52 0.00 0.00 52.55 51.77 2rml s ASP 36 Cb 0.07 0.50 -0.03 0.00 -1.46 0.00 0.00 42.92 42.01 2rml s ASP 36 CO 0.84 -0.87 -0.04 0.00 0.52 0.00 0.00 175.17 175.63 2rml s ALA 37 N -3.40 0.37 -0.08 3.66 0.00 -1.26 -0.72 121.76 120.34 2rml s ALA 37 Ca 0.07 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.19 2rml s ALA 37 Cb -0.02 0.18 0.01 0.00 0.00 0.00 0.00 23.12 23.28 2rml s ALA 37 CO -0.05 -0.22 -0.17 -0.80 0.00 0.00 0.00 175.76 174.53 2rml s ASN 38 N -2.07 2.33 0.08 0.00 0.02 -0.06 -5.01 114.94 110.23 2rml s ASN 38 Ca -0.06 -0.41 0.07 0.00 -1.02 0.00 0.00 52.86 51.45 2rml s ASN 38 Cb -0.03 -1.02 -0.04 0.00 0.02 0.00 0.00 41.25 40.18 2rml s ASN 38 CO -0.04 0.10 -0.15 0.54 0.02 0.00 0.00 177.10 177.57 2rml s VAL 39 N 0.47 3.06 -0.05 1.60 0.11 -1.26 -1.04 120.40 123.28 2rml s VAL 39 Ca -0.15 -1.27 0.01 0.00 -2.93 0.00 0.00 61.98 57.64 2rml s VAL 39 Cb -0.16 -2.37 0.02 0.00 -1.53 0.00 0.00 36.38 32.34 2rml s VAL 39 CO 0.06 0.20 -0.04 0.21 -3.33 0.00 0.00 175.10 172.20 2rml s ASN 40 N -1.88 1.07 0.04 3.54 2.47 -0.17 -5.01 114.94 115.00 2rml s ASN 40 Ca 0.18 -0.13 -0.24 0.00 0.42 0.00 0.00 52.86 53.09 2rml s ASN 40 Cb -0.11 -0.46 -0.17 0.00 -1.45 0.00 0.00 41.25 39.06 2rml s ASN 40 CO 0.09 -0.07 1.54 -0.07 -3.72 0.00 0.00 177.10 174.87 2rml h LEU 41 N 7.36 0.02 -1.16 3.21 3.38 -1.95 -1.44 115.31 124.72 2rml h LEU 41 Ca -0.35 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.41 2rml h LEU 41 Cb 1.15 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 2rml h LEU 41 CO 0.44 0.22 0.00 0.00 0.09 0.00 0.00 178.44 179.19 2rml h ALA 42 N 0.80 1.00 0.00 1.53 0.00 -1.97 -0.93 119.26 119.68 2rml h ALA 42 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2rml h ALA 42 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2rml h ALA 42 CO -0.00 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.50 2rml n THR 43 N -2.55 0.62 -2.21 0.00 -2.24 -1.25 -5.03 114.28 101.62 2rml n THR 43 Ca 0.01 -0.76 -0.19 0.00 -2.27 0.00 0.00 64.05 60.84 2rml n THR 43 Cb 0.22 0.72 -0.03 0.00 -2.10 0.00 0.00 70.33 69.15 2rml n THR 43 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2rml n GLU 44 N -0.31 -1.70 -4.37 -0.78 2.13 -0.36 -4.93 120.64 110.32 2rml n GLU 44 Ca 0.00 0.99 -0.35 0.00 0.66 0.00 0.00 57.16 58.46 2rml n GLU 44 Cb 0.20 -5.58 -0.09 0.00 0.27 0.00 0.00 31.44 26.23 2rml n GLU 44 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2rml s THR 45 N -2.90 4.26 -0.10 6.31 2.01 -0.62 -0.20 115.64 124.41 2rml s THR 45 Ca 0.00 -0.31 -0.01 0.00 0.31 0.00 0.00 61.69 61.69 2rml s THR 45 Cb 0.00 -2.80 -0.03 0.00 0.01 0.00 0.00 72.50 69.68 2rml s THR 45 CO 0.00 0.57 -0.07 -0.44 -0.69 0.00 0.00 174.62 174.00 2rml s SER 46 N -0.98 4.62 -0.15 3.53 0.01 0.39 -1.00 113.70 120.13 2rml s SER 46 Ca 0.14 -0.09 -0.00 0.00 1.31 0.00 0.00 55.95 57.31 2rml s SER 46 Cb -0.11 -1.42 0.03 0.00 0.21 0.00 0.00 66.02 64.73 2rml s SER 46 CO 0.03 0.28 -0.07 0.20 0.41 0.00 0.00 173.24 174.09 2rml s ASN 47 N -0.30 2.66 0.01 2.44 0.01 -0.20 -1.13 114.94 118.43 2rml s ASN 47 Ca 0.04 -0.55 0.03 0.00 -0.71 0.00 0.00 52.86 51.67 2rml s ASN 47 Cb -0.13 -0.94 -0.01 0.00 0.41 0.00 0.00 41.25 40.59 2rml s ASN 47 CO 0.02 -0.15 -0.10 -0.69 -1.51 0.00 0.00 177.10 174.67 2rml s VAL 48 N 1.63 0.77 -0.07 1.60 1.01 0.24 -0.88 120.40 124.69 2rml s VAL 48 Ca 0.02 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.42 2rml s VAL 48 Cb -0.14 -0.68 0.02 0.00 0.00 0.00 0.00 36.38 35.58 2rml s VAL 48 CO -0.08 0.08 -0.09 -0.63 0.00 0.00 0.00 175.10 174.38 2rml s ILE 49 N -0.49 0.93 0.13 2.22 1.09 0.11 -0.76 121.20 124.42 2rml s ILE 49 Ca 0.01 -0.33 -0.05 0.00 -1.10 0.00 0.00 60.65 59.19 2rml s ILE 49 Cb -0.05 -0.90 -0.03 0.00 -1.06 0.00 0.00 42.46 40.43 2rml s ILE 49 CO 0.00 0.32 0.14 -0.72 -0.10 0.00 0.00 174.94 174.58 2rml s TYR 50 N 0.98 0.58 -0.18 3.97 -0.85 -0.58 -0.74 117.35 120.53 2rml s TYR 50 Ca -0.09 -0.98 -0.11 0.00 -0.52 0.00 0.00 57.07 55.36 2rml s TYR 50 Cb -0.15 -0.28 -0.05 0.00 0.38 0.00 0.00 41.96 41.87 2rml s TYR 50 CO 0.00 -0.57 0.19 0.34 -1.52 0.00 0.00 175.55 173.99 2rml s ASP 51 N -2.99 6.30 -0.00 -0.18 -1.08 0.36 -1.52 116.67 117.56 2rml s ASP 51 Ca 0.18 0.35 0.01 0.00 -0.52 0.00 0.00 52.55 52.57 2rml s ASP 51 Cb 0.06 -2.12 0.05 0.00 -1.46 0.00 0.00 42.92 39.44 2rml s ASP 51 CO -0.02 0.16 0.95 -0.81 0.52 0.00 0.00 175.17 175.97 2rml n PRO 52 N 3.49 1.15 -0.12 4.34 -0.04 -1.26 -3.73 135.00 138.82 2rml n PRO 52 Ca -0.15 -0.19 -0.19 0.00 -0.04 0.00 0.00 63.50 62.93 2rml n PRO 52 Cb 0.52 -1.14 -0.10 0.00 -0.04 0.00 0.00 33.50 32.74 2rml n PRO 52 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2rml n ALA 53 N -0.27 1.48 1.35 0.55 0.00 -1.26 -4.60 120.51 117.75 2rml n ALA 53 Ca 0.02 -0.98 0.14 0.00 0.00 0.00 0.00 53.44 52.61 2rml n ALA 53 Cb 0.10 0.03 0.53 0.00 0.00 0.00 0.00 19.45 20.10 2rml n ALA 53 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2rml n GLU 54 N -3.43 0.75 -3.53 0.00 -0.58 -1.24 -4.97 120.64 107.64 2rml n GLU 54 Ca -0.43 -0.33 -0.08 0.00 -0.42 0.00 0.00 57.16 55.90 2rml n GLU 54 Cb 0.91 -1.49 -0.02 0.00 -0.57 0.00 0.00 31.44 30.27 2rml n GLU 54 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 2rml s THR 55 N -2.48 0.00 0.58 2.62 -1.32 -1.25 -4.51 115.64 109.29 2rml s THR 55 Ca 0.27 -0.09 0.08 0.00 -1.21 0.00 0.00 61.69 60.75 2rml s THR 55 Cb 0.20 -1.13 0.08 0.00 -1.51 0.00 0.00 72.50 70.14 2rml s THR 55 CO 0.49 0.00 0.69 0.61 -2.21 0.00 0.00 174.62 174.20 2rml n GLY 56 N -0.28 2.20 0.16 6.08 0.00 -1.26 -4.52 105.19 107.56 2rml n GLY 56 Ca -0.09 -2.25 0.06 0.00 0.00 0.00 0.00 46.02 43.74 2rml n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rml h THR 57 N 0.27 0.55 0.00 2.61 1.03 -1.97 -3.35 112.91 112.05 2rml h THR 57 Ca -0.30 -1.78 -0.09 0.00 -0.01 0.00 0.00 66.41 64.23 2rml h THR 57 Cb 1.27 2.25 -0.01 0.00 -1.07 0.00 0.00 68.15 70.59 2rml h THR 57 CO 0.44 0.31 -0.42 0.00 -0.01 0.00 0.00 175.52 175.84 2rml h ALA 58 N 1.67 1.16 -0.34 0.00 0.00 -1.97 -2.59 119.26 117.19 2rml h ALA 58 Ca -0.01 -0.38 0.10 0.00 0.00 0.00 0.00 54.91 54.62 2rml h ALA 58 Cb 1.26 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 2rml h ALA 58 CO 0.04 0.53 0.50 0.00 0.00 0.00 0.00 179.25 180.31 2rml h ALA 59 N 1.58 1.98 -0.14 0.00 0.00 -2.00 0.28 119.26 120.96 2rml h ALA 59 Ca -0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2rml h ALA 59 Cb 0.81 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 2rml h ALA 59 CO 0.05 -0.67 -0.10 0.82 0.00 0.00 0.00 179.25 179.35 2rml h ILE 60 N 0.00 1.33 -0.51 0.00 2.04 -1.72 -1.88 117.51 116.77 2rml h ILE 60 Ca 0.16 -1.21 -0.10 0.00 1.00 0.00 0.00 64.86 64.72 2rml h ILE 60 Cb 1.15 1.82 -0.02 0.00 -0.74 0.00 0.00 36.82 39.03 2rml h ILE 60 CO -0.00 0.35 -0.08 0.06 0.00 0.00 0.00 178.15 178.48 2rml h GLN 61 N -0.03 0.92 -0.16 2.37 3.07 -1.13 -1.33 115.11 118.80 2rml h GLN 61 Ca 0.03 -0.31 0.03 0.00 0.09 0.00 0.00 58.65 58.50 2rml h GLN 61 Cb 0.60 -0.08 -0.03 0.00 0.08 0.00 0.00 27.48 28.06 2rml h GLN 61 CO 0.03 0.96 -0.05 0.93 0.09 0.00 0.00 178.83 180.78 2rml h GLU 62 N 0.83 -0.02 -0.26 0.06 5.08 -1.37 0.26 114.58 119.16 2rml h GLU 62 Ca 0.14 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.41 2rml h GLU 62 Cb 0.60 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 2rml h GLU 62 CO 0.04 -0.01 -0.22 0.87 -1.00 0.00 0.00 179.01 178.68 2rml h LYS 63 N -0.02 0.48 -0.18 2.33 6.56 -1.17 -2.35 116.57 122.22 2rml h LYS 63 Ca 0.08 -0.17 -0.01 0.00 -1.06 0.00 0.00 60.65 59.49 2rml h LYS 63 Cb 0.15 -0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 31.76 2rml h LYS 63 CO -0.18 0.68 0.06 0.82 -2.06 0.00 0.00 179.45 178.76 2rml h ILE 64 N 0.43 1.18 -0.82 1.86 2.04 -0.87 -2.97 117.51 118.36 2rml h ILE 64 Ca 0.07 -0.57 0.07 0.00 1.00 0.00 0.00 64.86 65.42 2rml h ILE 64 Cb 0.63 1.23 -0.06 0.00 -0.74 0.00 0.00 36.82 37.87 2rml h ILE 64 CO 0.04 0.18 0.49 -0.33 0.00 0.00 0.00 178.15 178.53 2rml h GLU 65 N 0.11 0.86 0.00 2.37 5.08 -0.85 -2.10 114.58 120.06 2rml h GLU 65 Ca 0.06 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2rml h GLU 65 Cb 0.22 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2rml h GLU 65 CO -0.00 0.57 0.00 1.63 -1.00 0.00 0.00 179.01 180.21 2rml n LYS 66 N -4.67 0.22 0.04 2.33 4.76 -0.89 -0.86 118.16 119.09 2rml n LYS 66 Ca 0.12 0.09 0.05 0.00 -2.87 0.00 0.00 58.31 55.70 2rml n LYS 66 Cb 0.19 -1.50 -0.07 0.00 -1.84 0.00 0.00 35.03 31.81 2rml n LYS 66 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2rml n LEU 67 N -1.13 0.67 0.00 -0.35 7.99 -0.79 -5.02 117.00 118.37 2rml n LEU 67 Ca 0.06 0.28 0.00 0.00 -0.01 0.00 0.00 56.01 56.34 2rml n LEU 67 Cb 0.05 0.05 0.00 0.00 -0.11 0.00 0.00 43.42 43.41 2rml n LEU 67 CO 0.06 0.04 0.00 0.61 -1.51 0.00 0.00 177.39 176.59 2rml n GLY 68 N 1.33 0.94 2.80 -0.72 0.00 -0.04 -5.14 105.19 104.36 2rml n GLY 68 Ca -0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 2rml n GLY 68 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2rml n TYR 69 N 0.00 -3.73 -4.14 1.61 4.11 -1.25 -4.91 117.16 108.85 2rml n TYR 69 Ca 0.00 -0.80 -0.14 0.00 -0.00 0.00 0.00 57.90 56.96 2rml n TYR 69 Cb 0.00 -0.90 -0.06 0.00 -0.00 0.00 0.00 39.34 38.37 2rml n TYR 69 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.86 175.85 2rml s HIS 70 N -2.62 1.14 -0.17 -3.48 3.76 -0.04 -4.92 115.29 108.97 2rml s HIS 70 Ca 0.57 -1.31 -0.30 0.00 -0.15 0.00 0.00 55.06 53.87 2rml s HIS 70 Cb -0.05 -0.29 0.13 0.00 1.11 0.00 0.00 32.58 33.48 2rml s HIS 70 CO 0.43 -0.95 1.01 0.54 -0.85 0.00 0.00 174.74 174.92 2rml s VAL 71 N -3.53 0.00 -0.87 -0.90 0.11 -1.26 -0.11 120.40 113.84 2rml s VAL 71 Ca 0.33 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 59.26 2rml s VAL 71 Cb 0.02 -1.00 0.23 0.00 -1.53 0.00 0.00 36.38 34.10 2rml s VAL 71 CO 0.18 0.00 0.82 -0.69 -3.33 0.00 0.00 175.10 172.08 2rml s VAL 72 N -1.04 5.58 0.01 2.04 1.01 -1.26 -5.00 120.40 121.73 2rml s VAL 72 Ca -0.01 -2.70 -0.04 0.00 0.00 0.00 0.00 61.98 59.23 2rml s VAL 72 Cb -0.01 -4.43 -0.01 0.00 0.00 0.00 0.00 36.38 31.94 2rml s VAL 72 CO 0.01 -1.05 0.07 0.42 0.00 0.00 0.00 175.10 174.55 2rml s THR 73 N -0.14 0.09 0.32 3.92 -4.23 -1.26 -3.82 115.64 110.51 2rml s THR 73 Ca 0.20 -0.71 -0.16 0.00 -1.18 0.00 0.00 61.69 59.84 2rml s THR 73 Cb -0.10 -0.33 0.03 0.00 1.34 0.00 0.00 72.50 73.43 2rml s THR 73 CO -0.09 -0.39 0.69 -1.61 -0.54 0.00 0.00 174.62 172.68 2rml s GLU 74 N -1.27 1.91 0.08 3.99 0.41 -0.57 -4.98 118.70 118.27 2rml s GLU 74 Ca -0.14 -1.24 0.07 0.00 -0.41 0.00 0.00 54.97 53.25 2rml s GLU 74 Cb -0.08 0.58 -0.04 0.00 -1.78 0.00 0.00 34.13 32.82 2rml s GLU 74 CO 0.00 -0.87 -0.15 -1.59 -0.49 0.00 0.00 175.26 172.17 2rml s LYS 75 N -3.32 2.03 0.03 1.61 -2.85 -1.26 -1.58 119.74 114.39 2rml s LYS 75 Ca 0.16 -1.04 -0.01 0.00 -1.00 0.00 0.00 55.97 54.08 2rml s LYS 75 Cb -0.04 -2.22 -0.02 0.00 -2.06 0.00 0.00 37.83 33.48 2rml s LYS 75 CO 0.10 0.52 -0.01 0.00 0.10 0.00 0.00 175.35 176.05 2rml s ALA 76 N -1.07 0.17 -0.19 0.59 0.00 -0.08 -4.99 121.76 116.19 2rml s ALA 76 Ca 0.18 -0.71 -0.01 0.00 0.00 0.00 0.00 51.96 51.42 2rml s ALA 76 Cb -0.11 0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.20 2rml s ALA 76 CO 0.09 -0.22 -0.12 -1.21 0.00 0.00 0.00 175.76 174.30 2rml s GLU 77 N -2.11 3.24 0.05 0.00 2.02 -1.26 -0.36 118.70 120.28 2rml s GLU 77 Ca -0.10 -0.71 0.03 0.00 0.02 0.00 0.00 54.97 54.21 2rml s GLU 77 Cb -0.05 -2.77 -0.04 0.00 0.10 0.00 0.00 34.13 31.37 2rml s GLU 77 CO -0.03 -0.11 0.02 -0.06 0.02 0.00 0.00 175.26 175.10 2rml s PHE 78 N 1.17 3.08 -0.15 1.61 0.40 -0.53 -3.58 117.98 119.98 2rml s PHE 78 Ca 0.01 0.04 -0.10 0.00 -0.60 0.00 0.00 56.93 56.29 2rml s PHE 78 Cb -0.14 -1.61 -0.05 0.00 0.51 0.00 0.00 43.02 41.73 2rml s PHE 78 CO -0.04 0.49 0.17 0.34 0.70 0.00 0.00 175.22 176.88 2rml s ASP 79 N -2.06 6.35 -0.61 1.36 -1.08 -0.23 -0.42 116.67 119.98 2rml s ASP 79 Ca 0.24 0.41 0.04 0.00 -0.52 0.00 0.00 52.55 52.73 2rml s ASP 79 Cb -0.12 -2.10 0.34 0.00 -1.46 0.00 0.00 42.92 39.58 2rml s ASP 79 CO 0.16 0.27 1.04 -0.38 0.52 0.00 0.00 175.17 176.78 2rml n ILE 80 N 2.78 3.32 -1.54 4.11 5.41 0.48 -0.90 119.36 133.03 2rml n ILE 80 Ca -0.17 -5.59 -0.25 0.00 1.00 0.00 0.00 62.75 57.74 2rml n ILE 80 Cb 0.53 -1.41 -0.10 0.00 -0.71 0.00 0.00 39.64 37.95 2rml n ILE 80 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2rml n GLU 81 N -0.24 0.50 0.00 0.38 1.02 -1.26 -2.29 120.64 118.74 2rml n GLU 81 Ca 0.33 -0.33 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2rml n GLU 81 Cb 0.39 -2.77 0.00 0.00 -0.02 0.00 0.00 31.44 29.04 2rml n GLU 81 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2rml n GLY 82 N 6.28 1.20 3.84 0.62 0.00 -1.26 -4.44 105.19 111.43 2rml n GLY 82 Ca 0.51 -0.07 -0.35 0.00 0.00 0.00 0.00 46.02 46.11 2rml n GLY 82 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2rml s MET 83 N 0.00 4.00 0.00 1.61 0.23 -0.97 -5.01 119.30 119.17 2rml s MET 83 Ca 0.00 0.52 0.00 0.00 -1.03 0.00 0.00 55.69 55.18 2rml s MET 83 Cb 0.00 -2.95 0.00 0.00 -1.53 0.00 0.00 34.83 30.35 2rml s MET 83 CO 0.00 0.48 0.02 0.25 -2.03 0.00 0.00 175.02 173.75 2rml n THR 84 N 0.85 0.00 -3.53 3.16 -2.24 -1.26 -4.94 114.28 106.31 2rml n THR 84 Ca -0.05 -0.16 -0.08 0.00 -2.27 0.00 0.00 64.05 61.49 2rml n THR 84 Cb 0.52 1.09 -0.02 0.00 -2.10 0.00 0.00 70.33 69.82 2rml n THR 84 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2rml h ALA 86 N 2.00 1.55 0.00 0.00 0.00 -2.00 -1.08 119.26 119.73 2rml h ALA 86 Ca -0.23 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2rml h ALA 86 Cb 1.25 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 2rml h ALA 86 CO 0.31 0.32 -0.04 0.00 0.00 0.00 0.00 179.25 179.83 2rml h ALA 87 N 1.53 1.25 0.00 0.00 0.00 -1.98 0.24 119.26 120.30 2rml h ALA 87 Ca 0.38 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.21 2rml h ALA 87 Cb 0.23 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2rml h ALA 87 CO -0.14 0.05 -0.26 0.00 0.00 0.00 0.00 179.25 178.89 2rml h ALA 89 N -0.24 -0.15 -0.05 0.00 0.00 -1.24 -3.11 119.26 114.47 2rml h ALA 89 Ca -0.07 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 2rml h ALA 89 Cb 0.93 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 2rml h ALA 89 CO -0.04 -0.64 -0.26 -0.97 0.00 0.00 0.00 179.25 177.34 2rml h ASN 90 N -0.24 0.08 -0.84 0.00 -0.73 -1.14 0.46 115.58 113.18 2rml h ASN 90 Ca 0.07 -0.02 0.04 0.00 1.87 0.00 0.00 56.30 58.27 2rml h ASN 90 Cb 0.34 -0.02 -0.05 0.00 0.27 0.00 0.00 38.32 38.86 2rml h ASN 90 CO -0.20 0.35 0.55 0.03 -0.37 0.00 0.00 177.43 177.79 2rml h ARG 91 N 0.08 0.98 0.08 6.67 3.08 -1.64 -2.24 114.38 121.39 2rml h ARG 91 Ca 0.01 -0.06 -0.31 0.00 0.07 0.00 0.00 59.98 59.69 2rml h ARG 91 Cb 0.51 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 2rml h ARG 91 CO 0.04 0.65 -1.64 -0.84 -1.07 0.00 0.00 179.97 177.10 2rml h ILE 92 N 1.01 0.99 -0.89 2.04 3.07 -1.46 -3.36 117.51 118.91 2rml h ILE 92 Ca 0.34 -2.71 0.23 0.00 1.55 0.00 0.00 64.86 64.27 2rml h ILE 92 Cb 0.09 2.62 -0.13 0.00 -0.27 0.00 0.00 36.82 39.14 2rml h ILE 92 CO -0.11 0.76 0.37 -0.08 -1.05 0.00 0.00 178.15 178.03 2rml h GLU 93 N 0.05 0.34 -0.03 0.16 4.81 -0.74 0.42 114.58 119.58 2rml h GLU 93 Ca -0.28 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 58.94 2rml h GLU 93 Cb 2.01 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 31.31 2rml h GLU 93 CO 0.12 0.22 0.03 -0.22 -0.73 0.00 0.00 179.01 178.44 2rml h LYS 94 N 0.35 0.00 0.07 1.92 3.64 -1.56 0.07 116.57 121.06 2rml h LYS 94 Ca 0.57 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.63 2rml h LYS 94 Cb 1.10 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.90 2rml h LYS 94 CO -0.56 0.00 -1.75 0.54 -2.27 0.00 0.00 179.45 175.41 2rml n ARG 95 N -4.18 0.68 -0.30 1.90 1.74 -0.15 -4.53 116.66 111.82 2rml n ARG 95 Ca -0.02 0.38 0.05 0.00 -0.77 0.00 0.00 57.85 57.49 2rml n ARG 95 Cb 0.12 -1.71 0.20 0.00 -1.02 0.00 0.00 32.46 30.05 2rml n ARG 95 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2rml h LEU 96 N -0.36 0.67 -0.97 0.55 -0.00 -0.48 -3.22 115.31 111.50 2rml h LEU 96 Ca -0.41 0.06 0.32 0.00 -0.00 0.00 0.00 57.88 57.85 2rml h LEU 96 Cb 1.75 -0.06 -0.16 0.00 -0.00 0.00 0.00 40.66 42.19 2rml h LEU 96 CO -0.04 0.35 0.42 0.78 -0.00 0.00 0.00 178.44 179.94 2rml h ASN 97 N 0.77 0.23 -1.55 -0.43 -0.26 -1.12 -3.12 115.58 110.09 2rml h ASN 97 Ca 0.44 0.22 -0.44 0.00 -0.56 0.00 0.00 56.30 55.95 2rml h ASN 97 Cb 0.49 0.24 -0.31 0.00 -1.06 0.00 0.00 38.32 37.68 2rml h ASN 97 CO -0.29 -0.24 -0.87 0.29 -1.06 0.00 0.00 177.43 175.27 2rml n LYS 98 N -5.19 0.57 -0.06 0.81 5.02 -1.22 -3.60 118.16 114.48 2rml n LYS 98 Ca 0.30 -2.74 -0.01 0.00 -2.02 0.00 0.00 58.31 53.83 2rml n LYS 98 Cb 0.95 -1.42 0.01 0.00 -0.02 0.00 0.00 35.03 34.56 2rml n LYS 98 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2rml n ILE 99 N 2.03 0.00 -2.99 -0.18 5.41 -1.18 -4.85 119.36 117.60 2rml n ILE 99 Ca 0.20 -0.03 -0.44 0.00 1.00 0.00 0.00 62.75 63.48 2rml n ILE 99 Cb 0.54 -1.18 -0.02 0.00 -0.71 0.00 0.00 39.64 38.27 2rml n ILE 99 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 2rml s GLU 100 N -3.12 3.62 0.00 0.38 2.12 -1.26 -0.92 118.70 119.52 2rml s GLU 100 Ca 0.03 -1.90 0.00 0.00 0.36 0.00 0.00 54.97 53.47 2rml s GLU 100 Cb -0.00 -4.85 0.00 0.00 0.26 0.00 0.00 34.13 29.54 2rml s GLU 100 CO 0.03 -1.70 0.00 0.41 -0.54 0.00 0.00 175.26 173.46 2rml n GLY 101 N 5.22 0.79 3.81 -1.50 0.00 -1.25 -4.47 105.19 107.80 2rml n GLY 101 Ca 0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.87 2rml n GLY 101 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2rml s VAL 102 N -2.00 5.03 -0.16 1.61 1.01 -0.09 -1.17 120.40 124.62 2rml s VAL 102 Ca 0.00 0.88 -0.14 0.00 0.00 0.00 0.00 61.98 62.72 2rml s VAL 102 Cb 0.00 -3.74 -0.09 0.00 0.00 0.00 0.00 36.38 32.54 2rml s VAL 102 CO 0.00 0.54 -0.00 0.00 0.00 0.00 0.00 175.10 175.63 2rml h ALA 103 N 5.03 0.10 -2.63 5.51 0.00 -1.16 -3.42 119.26 122.69 2rml h ALA 103 Ca -0.50 -0.75 -0.13 0.00 0.00 0.00 0.00 54.91 53.53 2rml h ALA 103 Cb 1.21 0.57 -0.18 0.00 0.00 0.00 0.00 17.79 19.38 2rml h ALA 103 CO 0.64 0.55 -0.46 -0.80 0.00 0.00 0.00 179.25 179.18 2rml s ASN 104 N -6.16 0.07 -0.40 0.00 0.01 -0.65 -4.76 114.94 103.05 2rml s ASN 104 Ca -0.20 -0.35 0.03 0.00 -0.71 0.00 0.00 52.86 51.63 2rml s ASN 104 Cb 0.03 0.24 0.19 0.00 0.41 0.00 0.00 41.25 42.12 2rml s ASN 104 CO 0.36 -0.48 0.77 0.00 -1.51 0.00 0.00 177.10 176.23 2rml s ALA 105 N -2.17 -2.94 0.19 0.60 0.00 -1.24 -0.38 121.76 115.83 2rml s ALA 105 Ca -0.08 0.39 -0.30 0.00 0.00 0.00 0.00 51.96 51.97 2rml s ALA 105 Cb -0.03 -2.81 -0.08 0.00 0.00 0.00 0.00 23.12 20.20 2rml s ALA 105 CO -0.02 -2.30 1.03 -1.25 0.00 0.00 0.00 175.76 173.21 2rml s PRO 106 N 1.69 4.69 -0.12 0.00 0.04 -1.22 -3.97 135.00 136.10 2rml s PRO 106 Ca 0.18 1.61 -0.16 0.00 0.04 0.00 0.00 61.00 62.67 2rml s PRO 106 Cb -0.01 -3.29 -0.05 0.00 0.04 0.00 0.00 34.50 31.19 2rml s PRO 106 CO -0.09 0.23 0.39 0.08 0.04 0.00 0.00 177.00 177.65 2rml s VAL 107 N -0.50 5.22 -1.41 -0.36 1.01 -1.26 -2.46 120.40 120.64 2rml s VAL 107 Ca 0.46 0.77 -0.15 0.00 0.00 0.00 0.00 61.98 63.07 2rml s VAL 107 Cb -0.27 -3.73 0.06 0.00 0.00 0.00 0.00 36.38 32.43 2rml s VAL 107 CO 0.34 0.38 2.08 0.59 0.00 0.00 0.00 175.10 178.48 2rml n ASN 108 N 3.45 4.22 0.33 3.32 4.13 0.35 -4.87 115.26 126.18 2rml n ASN 108 Ca -0.10 -2.88 0.21 0.00 1.68 0.00 0.00 54.58 53.50 2rml n ASN 108 Cb 0.52 -1.67 1.12 0.00 -1.54 0.00 0.00 39.78 38.21 2rml n ASN 108 CO 0.00 0.00 0.00 2.19 0.28 0.00 0.00 177.26 179.73 2rml h PHE 109 N 6.39 0.00 0.00 3.10 -5.15 -1.95 -0.12 116.94 119.21 2rml h PHE 109 Ca 0.53 0.00 -0.05 0.00 -0.20 0.00 0.00 57.97 58.24 2rml h PHE 109 Cb 0.70 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.86 2rml h PHE 109 CO 1.44 0.00 -1.59 0.00 -2.00 0.00 0.00 178.31 176.16 2rml n ALA 110 N -2.13 2.24 0.11 12.09 0.00 -1.26 -4.29 120.51 127.27 2rml n ALA 110 Ca -0.03 -0.40 -0.01 0.00 0.00 0.00 0.00 53.44 53.01 2rml n ALA 110 Cb 0.09 -0.29 -0.03 0.00 0.00 0.00 0.00 19.45 19.23 2rml n ALA 110 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2rml h LEU 111 N 0.00 0.00 0.00 0.00 -0.00 -1.78 -3.49 115.31 110.04 2rml h LEU 111 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.80 2rml h LEU 111 Cb 0.85 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.51 2rml h LEU 111 CO 0.00 0.67 0.00 -0.62 -0.00 0.00 0.00 178.44 178.50 2rml n GLU 112 N -3.25 0.00 -3.60 1.13 1.02 -0.13 -5.04 120.64 110.77 2rml n GLU 112 Ca 0.01 0.29 -0.24 0.00 -0.02 0.00 0.00 57.16 57.20 2rml n GLU 112 Cb 0.81 -2.76 0.02 0.00 -0.02 0.00 0.00 31.44 29.49 2rml n GLU 112 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2rml n THR 113 N -2.73 0.00 -4.17 2.62 -2.24 -1.22 -0.38 114.28 106.16 2rml n THR 113 Ca 0.00 -2.11 -0.17 0.00 -2.27 0.00 0.00 64.05 59.49 2rml n THR 113 Cb 0.00 -0.16 -0.15 0.00 -2.10 0.00 0.00 70.33 67.92 2rml n THR 113 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2rml s VAL 114 N -2.70 0.46 -0.29 2.28 0.11 0.43 -0.49 120.40 120.21 2rml s VAL 114 Ca 0.39 -0.20 -0.08 0.00 -2.93 0.00 0.00 61.98 59.17 2rml s VAL 114 Cb -0.03 -0.43 -0.00 0.00 -1.53 0.00 0.00 36.38 34.39 2rml s VAL 114 CO 0.25 0.16 0.10 -0.89 -3.33 0.00 0.00 175.10 171.38 2rml s THR 115 N 0.19 4.21 -0.07 5.04 2.01 -1.03 -1.45 115.64 124.55 2rml s THR 115 Ca -0.02 -0.50 0.02 0.00 0.31 0.00 0.00 61.69 61.49 2rml s THR 115 Cb -0.06 -3.12 -0.03 0.00 0.01 0.00 0.00 72.50 69.30 2rml s THR 115 CO -0.00 0.14 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.28 2rml s VAL 116 N 1.56 3.45 -0.20 3.82 1.01 0.51 -3.45 120.40 127.09 2rml s VAL 116 Ca 0.04 -0.57 -0.01 0.00 0.00 0.00 0.00 61.98 61.44 2rml s VAL 116 Cb -0.17 -2.40 0.01 0.00 0.00 0.00 0.00 36.38 33.83 2rml s VAL 116 CO 0.04 0.59 -0.12 -0.70 0.00 0.00 0.00 175.10 174.90 2rml s GLU 117 N -0.68 3.14 0.28 2.72 2.12 0.49 -0.90 118.70 125.87 2rml s GLU 117 Ca 0.10 -0.76 -0.20 0.00 0.36 0.00 0.00 54.97 54.48 2rml s GLU 117 Cb -0.11 -2.79 0.02 0.00 0.26 0.00 0.00 34.13 31.50 2rml s GLU 117 CO 0.01 -0.22 0.70 1.52 -0.54 0.00 0.00 175.26 176.73 2rml s TYR 118 N 1.37 -0.12 -0.59 5.30 1.13 -0.61 -0.69 117.35 123.14 2rml s TYR 118 Ca 0.05 -0.34 -0.13 0.00 -1.41 0.00 0.00 57.07 55.24 2rml s TYR 118 Cb -0.14 0.66 0.15 0.00 -1.10 0.00 0.00 41.96 41.53 2rml s TYR 118 CO -0.08 -1.23 0.52 1.21 -2.51 0.00 0.00 175.55 173.45 2rml s ASN 119 N -2.94 6.13 0.00 -0.18 3.84 -0.32 -1.52 114.94 119.96 2rml s ASN 119 Ca 0.12 -2.10 0.23 0.00 0.21 0.00 0.00 52.86 51.32 2rml s ASN 119 Cb -0.05 -2.13 1.35 0.00 -0.55 0.00 0.00 41.25 39.86 2rml s ASN 119 CO 0.07 -0.72 1.76 -0.81 -2.79 0.00 0.00 177.10 174.62 2rml n PRO 120 N 4.74 0.80 -0.24 0.43 -0.04 -1.25 -3.57 135.00 135.88 2rml n PRO 120 Ca -0.04 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.34 2rml n PRO 120 Cb 0.42 -1.44 0.04 0.00 -0.04 0.00 0.00 33.50 32.48 2rml n PRO 120 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2rml h LYS 121 N 0.00 1.05 0.00 0.54 3.11 -1.94 -3.34 116.57 116.00 2rml h LYS 121 Ca 0.00 -0.25 -0.06 0.00 -2.81 0.00 0.00 60.65 57.53 2rml h LYS 121 Cb 0.00 -0.14 -0.13 0.00 -1.00 0.00 0.00 32.23 30.96 2rml h LYS 121 CO 0.00 0.94 -0.63 0.39 -2.81 0.00 0.00 179.45 177.34 2rml n GLU 122 N -4.30 0.96 -3.76 1.90 -0.58 -1.23 -5.04 120.64 108.59 2rml n GLU 122 Ca 0.04 -2.70 -0.13 0.00 -0.42 0.00 0.00 57.16 53.96 2rml n GLU 122 Cb 0.25 -1.03 -0.12 0.00 -0.57 0.00 0.00 31.44 29.97 2rml n GLU 122 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2rml s ALA 123 N -1.99 -0.68 0.33 0.62 0.00 -1.24 -4.76 121.76 114.04 2rml s ALA 123 Ca 0.34 0.86 -0.14 0.00 0.00 0.00 0.00 51.96 53.02 2rml s ALA 123 Cb 0.35 -0.51 0.03 0.00 0.00 0.00 0.00 23.12 22.98 2rml s ALA 123 CO -0.09 -0.15 0.66 -1.54 0.00 0.00 0.00 175.76 174.64 2rml s SER 124 N 0.42 0.11 0.57 0.00 1.04 -1.26 -4.62 113.70 109.97 2rml s SER 124 Ca -0.02 -1.06 0.30 0.00 0.48 0.00 0.00 55.95 55.65 2rml s SER 124 Cb -0.04 0.74 1.66 0.00 0.10 0.00 0.00 66.02 68.48 2rml s SER 124 CO -0.02 -1.44 1.92 0.58 0.98 0.00 0.00 173.24 175.26 2rml h VAL 125 N 2.07 0.00 0.13 5.02 2.07 -2.01 -1.54 116.25 121.99 2rml h VAL 125 Ca -0.27 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 2rml h VAL 125 Cb 1.25 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 2rml h VAL 125 CO 0.35 0.00 -0.06 -1.28 0.02 0.00 0.00 177.57 176.60 2rml h SER 126 N 0.00 -0.15 -0.90 0.57 0.87 -1.99 -1.70 113.55 110.25 2rml h SER 126 Ca 0.00 -0.26 0.03 0.00 -1.23 0.00 0.00 61.79 60.33 2rml h SER 126 Cb 0.39 0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 62.34 2rml h SER 126 CO 0.00 0.19 0.58 0.44 -0.53 0.00 0.00 176.83 177.51 2rml h ASP 127 N -0.51 0.97 0.55 6.23 3.32 -1.70 0.35 116.42 125.63 2rml h ASP 127 Ca -0.02 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 2rml h ASP 127 Cb 0.40 -0.22 0.01 0.00 0.22 0.00 0.00 39.33 39.74 2rml h ASP 127 CO 0.03 0.67 -0.26 -0.07 -1.72 0.00 0.00 179.24 177.88 2rml h LEU 128 N 1.13 -0.62 -0.28 1.55 -0.00 -1.60 -1.15 115.31 114.35 2rml h LEU 128 Ca 0.36 -0.05 0.01 0.00 -0.00 0.00 0.00 57.88 58.20 2rml h LEU 128 Cb 0.00 0.16 -0.02 0.00 -0.00 0.00 0.00 40.66 40.80 2rml h LEU 128 CO -0.12 -0.27 0.16 0.11 -0.00 0.00 0.00 178.44 178.32 2rml h LYS 129 N -1.01 0.32 0.00 1.13 1.57 -1.16 -2.59 116.57 114.82 2rml h LYS 129 Ca -0.07 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.61 2rml h LYS 129 Cb 0.63 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 2rml h LYS 129 CO 0.12 0.21 -0.39 0.93 -0.57 0.00 0.00 179.45 179.76 2rml h GLU 130 N 0.32 0.00 -0.02 3.15 5.08 -0.97 0.14 114.58 122.29 2rml h GLU 130 Ca 0.11 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.36 2rml h GLU 130 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2rml h GLU 130 CO -0.05 0.39 -0.51 0.00 -1.00 0.00 0.00 179.01 177.84 2rml h ALA 131 N 1.61 1.13 0.00 3.43 0.00 -1.08 -3.31 119.26 121.04 2rml h ALA 131 Ca -0.00 -0.46 -0.15 0.00 0.00 0.00 0.00 54.91 54.29 2rml h ALA 131 Cb 0.82 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 2rml h ALA 131 CO 0.05 0.64 -1.51 0.28 0.00 0.00 0.00 179.25 178.70 2rml n VAL 132 N -3.94 1.03 -0.17 0.00 0.31 -0.75 -4.30 118.33 110.52 2rml n VAL 132 Ca -0.02 -0.67 -0.02 0.00 -0.01 0.00 0.00 64.34 63.63 2rml n VAL 132 Cb 0.52 -0.60 0.07 0.00 -0.91 0.00 0.00 33.84 32.92 2rml n VAL 132 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 2rml h ASP 133 N 0.00 -0.20 -0.34 4.52 1.82 -0.84 -0.98 116.42 120.40 2rml h ASP 133 Ca -0.17 0.12 0.10 0.00 -0.39 0.00 0.00 57.03 56.69 2rml h ASP 133 Cb 1.52 0.21 -0.01 0.00 0.68 0.00 0.00 39.33 41.73 2rml h ASP 133 CO 0.03 -0.07 0.31 0.50 -1.61 0.00 0.00 179.24 178.40 2rml h LYS 134 N 0.13 0.00 0.00 0.28 1.63 -1.75 -1.42 116.57 115.44 2rml h LYS 134 Ca 0.26 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.06 2rml h LYS 134 Cb 0.40 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.03 2rml h LYS 134 CO -0.43 0.00 -0.88 1.28 -3.45 0.00 0.00 179.45 175.97 2rml n LEU 135 N -3.99 0.87 0.00 5.20 7.99 -0.42 -5.02 117.00 121.63 2rml n LEU 135 Ca 0.05 -0.37 0.00 0.00 -0.01 0.00 0.00 56.01 55.68 2rml n LEU 135 Cb 0.47 -0.06 0.00 0.00 -0.11 0.00 0.00 43.42 43.72 2rml n LEU 135 CO 0.31 0.22 0.00 0.61 -1.51 0.00 0.00 177.39 177.01 2rml n GLY 136 N 1.50 0.93 3.66 -0.72 0.00 -0.54 -5.07 105.19 104.95 2rml n GLY 136 Ca 0.04 -0.46 -0.29 0.00 0.00 0.00 0.00 46.02 45.32 2rml n GLY 136 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2rml n TYR 137 N -2.41 0.29 -4.21 1.61 4.02 -1.23 -5.06 117.16 110.17 2rml n TYR 137 Ca 0.00 -2.38 -0.20 0.00 -0.01 0.00 0.00 57.90 55.31 2rml n TYR 137 Cb 0.09 -0.39 -0.12 0.00 -0.02 0.00 0.00 39.34 38.90 2rml n TYR 137 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 176.86 174.26 2rml s LYS 138 N -4.01 0.93 -0.38 -0.72 0.00 -1.26 -4.35 119.74 109.95 2rml s LYS 138 Ca 0.15 -1.03 -0.08 0.00 0.00 0.00 0.00 55.97 55.00 2rml s LYS 138 Cb -0.01 -1.03 0.06 0.00 0.00 0.00 0.00 37.83 36.85 2rml s LYS 138 CO 0.10 0.23 0.20 -0.51 0.00 0.00 0.00 175.35 175.37 2rml s LEU 139 N -1.81 4.80 0.77 2.77 1.43 -1.26 -4.15 118.68 121.22 2rml s LEU 139 Ca 0.01 -1.30 -0.11 0.00 -1.03 0.00 0.00 54.13 51.69 2rml s LEU 139 Cb -0.10 -1.95 0.06 0.00 0.03 0.00 0.00 46.19 44.23 2rml s LEU 139 CO 0.03 -0.44 1.14 -0.54 0.23 0.00 0.00 176.35 176.77 2rml s LYS 140 N 1.43 2.28 0.08 1.70 1.02 -0.08 -4.91 119.74 121.26 2rml s LYS 140 Ca 0.01 0.20 0.06 0.00 0.02 0.00 0.00 55.97 56.26 2rml s LYS 140 Cb -0.21 -1.99 -0.03 0.00 -0.52 0.00 0.00 37.83 35.08 2rml s LYS 140 CO 0.03 -1.38 -0.17 -0.51 -0.92 0.00 0.00 175.35 172.40 2rml s LEU 141 N -5.48 2.27 -0.49 3.17 1.43 -1.26 -1.07 118.68 117.26 2rml s LEU 141 Ca 0.60 -0.62 -0.24 0.00 -1.03 0.00 0.00 54.13 52.85 2rml s LEU 141 Cb -0.11 -0.68 0.03 0.00 0.03 0.00 0.00 46.19 45.47 2rml s LEU 141 CO 0.50 -0.01 0.85 -0.75 0.23 0.00 0.00 176.35 177.17 2rml s LYS 142 N -1.71 3.39 0.00 1.70 2.20 -1.23 -1.34 119.74 122.74 2rml s LYS 142 Ca 0.02 -0.16 0.00 0.00 -0.36 0.00 0.00 55.97 55.47 2rml s LYS 142 Cb -0.10 -3.98 0.00 0.00 -1.51 0.00 0.00 37.83 32.24 2rml s LYS 142 CO 0.03 -1.25 0.00 0.41 -0.36 0.00 0.00 175.35 174.17 2rml n GLY 143 N 5.03 1.39 0.00 5.54 0.00 0.79 -4.70 105.19 113.25 2rml n GLY 143 Ca 0.02 -0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.12 2rml n GLY 143 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2rml n GLU 144 N 0.00 0.77 0.07 1.61 2.13 -1.25 -4.41 120.64 119.55 2rml n GLU 144 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2rml n GLU 144 Cb 0.00 -1.35 0.00 0.00 0.27 0.00 0.00 31.44 30.36 2rml n GLU 144 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 2rml n GLN 145 N -0.85 0.00 -0.04 5.31 6.02 -1.08 -4.82 117.38 121.92 2rml n GLN 145 Ca 0.13 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 57.00 2rml n GLN 145 Cb 0.06 0.00 -0.14 0.00 1.02 0.00 0.00 30.24 31.18 2rml n GLN 145 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2rml n ASP 146 N -2.81 1.01 0.00 1.08 2.03 -0.45 -4.93 116.55 112.48 2rml n ASP 146 Ca 0.00 0.24 0.00 0.00 0.52 0.00 0.00 54.79 55.55 2rml n ASP 146 Cb 0.00 -0.01 0.00 0.00 -0.72 0.00 0.00 41.12 40.39 2rml n ASP 146 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08