#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bfv n LYS 198 N 0.00 3.37 -2.63 -0.67 5.02 -1.26 -5.10 118.16 116.89 3bfv n LYS 198 Ca 0.00 -4.43 -0.40 0.00 -2.02 0.00 0.00 58.31 51.45 3bfv n LYS 198 Cb 0.00 -2.26 -0.05 0.00 -0.02 0.00 0.00 35.03 32.70 3bfv n LYS 198 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3bfv s ARG 199 N -3.63 4.72 -0.31 1.97 0.52 -1.23 0.24 118.95 121.23 3bfv s ARG 199 Ca 0.48 1.61 -0.29 0.00 -0.52 0.00 0.00 55.73 57.01 3bfv s ARG 199 Cb 0.38 -3.28 0.00 0.00 0.52 0.00 0.00 34.95 32.58 3bfv s ARG 199 CO -0.21 0.29 1.33 0.42 0.02 0.00 0.00 175.30 177.14 3bfv s ILE 200 N -0.73 4.09 -0.02 1.52 -1.09 -1.26 -4.87 121.20 118.83 3bfv s ILE 200 Ca 0.45 1.22 0.01 0.00 -2.23 0.00 0.00 60.65 60.10 3bfv s ILE 200 Cb -0.28 -4.14 -0.01 0.00 -1.58 0.00 0.00 42.46 36.46 3bfv s ILE 200 CO 0.34 -0.50 0.02 2.29 -1.23 0.00 0.00 174.94 175.86 3bfv n LYS 201 N 7.42 6.05 -3.82 2.79 2.85 -1.26 -4.43 118.16 127.76 3bfv n LYS 201 Ca 0.15 -0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.30 3bfv n LYS 201 Cb 0.47 -0.58 0.00 0.00 -0.65 0.00 0.00 35.03 34.27 3bfv n LYS 201 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 3bfv n ASP 202 N -1.07 -1.89 -0.23 -5.58 5.68 -1.26 -4.88 116.55 107.31 3bfv n ASP 202 Ca 0.00 -2.70 -0.02 0.00 -0.50 0.00 0.00 54.79 51.58 3bfv n ASP 202 Cb 0.01 3.26 0.09 0.00 -1.14 0.00 0.00 41.12 43.34 3bfv n ASP 202 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3bfv h GLU 203 N 0.00 0.69 -0.59 0.11 3.07 -1.99 -1.60 114.58 114.28 3bfv h GLU 203 Ca -0.31 -0.04 0.04 0.00 -0.50 0.00 0.00 59.36 58.55 3bfv h GLU 203 Cb 1.20 -0.16 -0.04 0.00 -0.84 0.00 0.00 28.75 28.91 3bfv h GLU 203 CO 0.40 0.46 0.33 1.49 -1.40 0.00 0.00 179.01 180.29 3bfv h GLU 204 N 0.72 0.62 -0.64 2.33 4.81 -1.99 -0.08 114.58 120.35 3bfv h GLU 204 Ca 0.29 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.45 3bfv h GLU 204 Cb 0.15 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.36 3bfv h GLU 204 CO -0.17 0.41 0.28 -0.44 -0.73 0.00 0.00 179.01 178.37 3bfv h ASP 205 N 0.64 0.87 -0.09 1.04 3.32 -1.82 -1.57 116.42 118.81 3bfv h ASP 205 Ca 0.25 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 3bfv h ASP 205 Cb 0.10 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.42 3bfv h ASP 205 CO -0.14 0.78 0.05 0.58 -1.72 0.00 0.00 179.24 178.80 3bfv h VAL 206 N 0.89 1.05 -0.05 -1.35 2.07 -0.93 0.15 116.25 118.08 3bfv h VAL 206 Ca 0.22 -0.12 0.03 0.00 0.82 0.00 0.00 66.70 67.65 3bfv h VAL 206 Cb 0.17 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 3bfv h VAL 206 CO -0.02 0.04 -0.19 -0.33 0.02 0.00 0.00 177.57 177.09 3bfv h GLU 207 N 0.09 -0.27 -0.07 1.57 3.07 -0.76 -1.59 114.58 116.62 3bfv h GLU 207 Ca 0.03 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.91 3bfv h GLU 207 Cb 0.02 0.06 0.00 0.00 -0.84 0.00 0.00 28.75 27.99 3bfv h GLU 207 CO -0.01 -0.18 0.00 1.63 -1.40 0.00 0.00 179.01 179.05 3bfv n LYS 208 N -5.32 0.94 -0.05 2.33 5.02 -0.61 -1.90 118.16 118.57 3bfv n LYS 208 Ca -0.04 -1.32 -0.03 0.00 -2.02 0.00 0.00 58.31 54.91 3bfv n LYS 208 Cb 0.24 -1.23 -0.15 0.00 -0.02 0.00 0.00 35.03 33.87 3bfv n LYS 208 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3bfv n GLU 209 N 0.63 0.67 -0.00 1.97 -0.58 0.51 -4.68 120.64 119.15 3bfv n GLU 209 Ca 0.07 -0.01 0.02 0.00 -0.42 0.00 0.00 57.16 56.82 3bfv n GLU 209 Cb 0.31 -1.58 -0.03 0.00 -0.57 0.00 0.00 31.44 29.57 3bfv n GLU 209 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3bfv n LEU 210 N -2.65 0.00 -2.48 -4.62 4.77 -0.74 -4.96 117.00 106.32 3bfv n LEU 210 Ca -0.21 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.60 3bfv n LEU 210 Cb 0.94 0.01 0.03 0.00 -2.33 0.00 0.00 43.42 42.07 3bfv n LEU 210 CO 0.44 0.01 0.03 0.61 -1.33 0.00 0.00 177.39 177.15 3bfv n GLY 211 N 2.29 -0.25 3.33 -0.72 0.00 -0.68 -5.00 105.19 104.17 3bfv n GLY 211 Ca -0.01 -0.05 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 3bfv n GLY 211 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bfv s LEU 212 N -5.41 2.36 0.64 0.99 1.43 -1.20 -5.01 118.68 112.48 3bfv s LEU 212 Ca 0.27 -0.77 -0.12 0.00 -1.03 0.00 0.00 54.13 52.48 3bfv s LEU 212 Cb -0.12 -0.96 -0.02 0.00 0.03 0.00 0.00 46.19 45.12 3bfv s LEU 212 CO 0.34 0.06 1.04 -2.16 0.23 0.00 0.00 176.35 175.86 3bfv s PRO 213 N -2.29 3.30 -0.27 1.29 0.04 -1.26 -3.88 135.00 131.92 3bfv s PRO 213 Ca 0.12 0.91 -0.11 0.00 0.04 0.00 0.00 61.00 61.96 3bfv s PRO 213 Cb -0.08 -2.04 -0.05 0.00 0.04 0.00 0.00 34.50 32.37 3bfv s PRO 213 CO 0.06 -0.81 0.18 0.08 0.04 0.00 0.00 177.00 176.56 3bfv s VAL 214 N -3.00 5.28 -0.11 -0.36 1.01 -1.26 -0.97 120.40 120.99 3bfv s VAL 214 Ca 0.58 0.16 0.14 0.00 0.00 0.00 0.00 61.98 62.85 3bfv s VAL 214 Cb -0.13 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 3bfv s VAL 214 CO 0.51 0.26 1.27 -0.07 0.00 0.00 0.00 175.10 177.07 3bfv h LEU 215 N 8.28 0.00 -7.00 3.92 3.38 -1.04 -3.46 115.31 119.39 3bfv h LEU 215 Ca -0.35 0.00 0.30 0.00 0.09 0.00 0.00 57.88 57.92 3bfv h LEU 215 Cb 1.19 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.74 3bfv h LEU 215 CO 0.56 0.60 0.91 -0.83 0.09 0.00 0.00 178.44 179.77 3bfv s GLY 216 N -4.58 -0.25 -0.09 0.83 0.00 -1.22 -4.31 107.32 97.69 3bfv s GLY 216 Ca 0.02 1.75 0.02 0.00 0.00 0.00 0.00 44.72 46.51 3bfv s GLY 216 CO 0.77 0.58 -0.16 -0.56 0.00 0.00 0.00 173.10 173.74 3bfv s SER 217 N -2.12 2.32 -0.24 1.64 0.01 -1.26 -1.64 113.70 112.41 3bfv s SER 217 Ca 0.11 -0.40 -0.04 0.00 1.31 0.00 0.00 55.95 56.92 3bfv s SER 217 Cb -0.01 -1.05 -0.00 0.00 0.21 0.00 0.00 66.02 65.17 3bfv s SER 217 CO -0.03 0.04 -0.03 -0.63 0.41 0.00 0.00 173.24 173.00 3bfv s ILE 218 N 0.78 3.39 0.66 1.44 -1.09 0.54 -4.95 121.20 121.97 3bfv s ILE 218 Ca -0.11 -0.61 -0.16 0.00 -2.23 0.00 0.00 60.65 57.54 3bfv s ILE 218 Cb -0.16 -2.60 -0.00 0.00 -1.58 0.00 0.00 42.46 38.12 3bfv s ILE 218 CO 0.02 0.33 1.14 -1.10 -1.23 0.00 0.00 174.94 174.10 3bfv s GLN 219 N 1.46 2.72 0.10 2.79 -0.21 -1.26 -1.36 119.66 123.90 3bfv s GLN 219 Ca 0.04 1.53 -0.34 0.00 0.02 0.00 0.00 55.36 56.61 3bfv s GLN 219 Cb -0.15 -1.93 -0.13 0.00 1.00 0.00 0.00 33.01 31.80 3bfv s GLN 219 CO -0.03 -1.33 1.64 1.17 -2.12 0.00 0.00 175.29 174.62 3bfv n LYS 220 N -2.30 2.13 -1.72 2.91 4.81 -0.20 -4.40 118.16 119.40 3bfv n LYS 220 Ca 0.11 0.77 -0.43 0.00 -0.87 0.00 0.00 58.31 57.90 3bfv n LYS 220 Cb 0.51 -2.56 -0.03 0.00 0.02 0.00 0.00 35.03 32.98 3bfv n LYS 220 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 3bfv n PHE 221 N 4.16 2.70 -4.24 5.64 3.72 -1.26 -4.94 117.46 123.24 3bfv n PHE 221 Ca 0.18 0.17 -0.16 0.00 -0.05 0.00 0.00 57.45 57.60 3bfv n PHE 221 Cb 0.29 -2.62 -0.09 0.00 -0.94 0.00 0.00 39.48 36.12 3bfv n PHE 221 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3bfv s ASN 222 N 0.83 0.95 0.45 4.37 2.20 -1.26 -5.04 114.94 117.43 3bfv s ASN 222 Ca 0.71 -1.58 0.17 0.00 -0.94 0.00 0.00 52.86 51.22 3bfv s ASN 222 Cb -0.53 0.48 1.11 0.00 -2.00 0.00 0.00 41.25 40.31 3bfv s ASN 222 CO 0.40 -0.96 1.93 0.00 -2.94 0.00 0.00 177.10 175.53 3bfv h MET 1001N 2.36 0.33 0.00 3.55 -0.00 -1.97 -2.64 114.93 116.57 3bfv h MET 1001Ca -0.30 -0.02 -0.06 0.00 -0.00 0.00 0.00 59.70 59.32 3bfv h MET 1001Cb 1.24 -0.07 -0.01 0.00 -0.00 0.00 0.00 31.60 32.76 3bfv h MET 1001CO 0.44 0.22 -0.37 1.15 -0.00 0.00 0.00 176.91 178.35 3bfv h THR 1002N 0.34 1.00 0.00 -0.10 2.02 -1.96 -0.97 112.91 113.24 3bfv h THR 1002Ca 0.35 -1.87 0.00 0.00 0.77 0.00 0.00 66.41 65.66 3bfv h THR 1002Cb 0.89 2.01 0.00 0.00 -1.74 0.00 0.00 68.15 69.31 3bfv h THR 1002CO -0.10 0.34 0.00 -0.55 0.37 0.00 0.00 175.52 175.58 3bfv h ASN 1003N -1.00 0.00 -0.01 4.18 7.08 -1.93 -2.67 115.58 121.23 3bfv h ASN 1003Ca -0.09 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.13 3bfv h ASN 1003Cb 0.81 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.05 3bfv h ASN 1003CO -0.05 0.00 -0.18 0.35 -2.08 0.00 0.00 177.43 175.46 3bfv n THR 1004N -2.80 0.00 -3.83 6.14 -2.24 -1.00 -1.29 114.28 109.25 3bfv n THR 1004Ca 0.01 -0.41 -0.24 0.00 -2.27 0.00 0.00 64.05 61.14 3bfv n THR 1004Cb 0.28 1.20 0.01 0.00 -2.10 0.00 0.00 70.33 69.72 3bfv n THR 1004CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3bfv n ARG 1005N 0.13 -4.35 -3.77 -0.78 1.74 -0.96 -2.58 116.66 106.08 3bfv n ARG 1005Ca 0.06 0.53 -0.28 0.00 -0.77 0.00 0.00 57.85 57.40 3bfv n ARG 1005Cb 0.30 -4.98 0.05 0.00 -1.02 0.00 0.00 32.46 26.80 3bfv n ARG 1005CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3bfv n ARG 1006N -4.37 -6.51 -1.67 5.56 1.74 -0.41 -4.92 116.66 106.08 3bfv n ARG 1006Ca -0.25 0.70 -0.45 0.00 -0.77 0.00 0.00 57.85 57.07 3bfv n ARG 1006Cb 0.66 -5.66 -0.03 0.00 -1.02 0.00 0.00 32.46 26.41 3bfv n ARG 1006CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3bfv n SER 1007N -2.90 2.69 0.25 0.55 2.88 -1.07 -4.89 113.62 111.14 3bfv n SER 1007Ca 0.03 1.15 0.16 0.00 -1.33 0.00 0.00 58.87 58.87 3bfv n SER 1007Cb 0.54 -1.42 0.55 0.00 -0.75 0.00 0.00 64.21 63.13 3bfv n SER 1007CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3bfv h THR 1008N 3.01 0.00 -4.82 2.46 1.03 -1.92 -3.46 112.91 109.20 3bfv h THR 1008Ca -0.45 -0.60 -0.44 0.00 -0.01 0.00 0.00 66.41 64.91 3bfv h THR 1008Cb 1.28 1.59 -0.13 0.00 -1.07 0.00 0.00 68.15 69.82 3bfv h THR 1008CO 0.75 0.00 -0.48 -0.94 -0.01 0.00 0.00 175.52 174.84 3bfv s SER 1009N -5.69 1.48 0.00 0.00 1.04 -1.26 -5.04 113.70 104.23 3bfv s SER 1009Ca 0.03 -1.71 0.27 0.00 0.48 0.00 0.00 55.95 55.02 3bfv s SER 1009Cb 0.08 0.55 1.36 0.00 0.10 0.00 0.00 66.02 68.11 3bfv s SER 1009CO 0.56 -1.06 1.92 -1.54 0.98 0.00 0.00 173.24 174.11 3bfv n SER 1010N -1.42 0.00 -3.58 7.02 3.41 -1.26 -4.21 113.62 113.58 3bfv n SER 1010Ca 0.07 -0.10 -0.41 0.00 -0.26 0.00 0.00 58.87 58.17 3bfv n SER 1010Cb 0.63 -0.28 -0.01 0.00 -0.26 0.00 0.00 64.21 64.28 3bfv n SER 1010CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3bfv n LEU 1011N -1.28 7.67 -0.29 1.04 7.94 -1.26 -4.77 117.00 126.05 3bfv n LEU 1011Ca 0.13 -4.55 -0.00 0.00 -1.11 0.00 0.00 56.01 50.48 3bfv n LEU 1011Cb 0.21 -1.50 0.12 0.00 0.53 0.00 0.00 43.42 42.79 3bfv n LEU 1011CO 0.21 1.71 1.17 0.40 -1.11 0.00 0.00 177.39 179.77 3bfv h ILE 1012N 3.26 1.04 -0.53 1.96 1.08 -1.94 -1.51 117.51 120.87 3bfv h ILE 1012Ca 0.65 -0.31 -0.01 0.00 -0.39 0.00 0.00 64.86 64.80 3bfv h ILE 1012Cb 0.44 0.05 -0.03 0.00 -3.07 0.00 0.00 36.82 34.22 3bfv h ILE 1012CO 1.68 0.17 0.29 0.58 -0.69 0.00 0.00 178.15 180.18 3bfv h VAL 1013N 0.91 1.16 0.00 1.67 2.07 -1.86 0.14 116.25 120.34 3bfv h VAL 1013Ca 0.34 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 3bfv h VAL 1013Cb 0.14 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 3bfv h VAL 1013CO -0.16 0.17 -0.00 -0.74 0.02 0.00 0.00 177.57 176.86 3bfv h HIS 1014N 0.73 -0.00 -0.36 1.57 -0.00 -1.82 -3.24 115.15 112.02 3bfv h HIS 1014Ca 0.19 -0.00 -0.14 0.00 -0.00 0.00 0.00 60.37 60.42 3bfv h HIS 1014Cb 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.41 3bfv h HIS 1014CO 0.00 0.69 -0.34 0.93 -0.00 0.00 0.00 177.93 179.22 3bfv h GLU 1015N -1.00 0.81 -2.43 5.26 4.39 -1.13 -3.36 114.58 117.12 3bfv h GLU 1015Ca -0.00 -0.40 -0.59 0.00 0.34 0.00 0.00 59.36 58.71 3bfv h GLU 1015Cb 0.70 -0.00 -0.39 0.00 -0.10 0.00 0.00 28.75 28.95 3bfv h GLU 1015CO 0.00 1.03 -0.88 1.04 -1.16 0.00 0.00 179.01 179.04 3bfv n GLN 1016N -4.06 0.89 0.24 2.33 1.13 0.48 -4.98 117.38 113.40 3bfv n GLN 1016Ca -0.01 -3.62 0.17 0.00 -1.94 0.00 0.00 57.00 51.59 3bfv n GLN 1016Cb 0.51 -1.77 0.80 0.00 0.11 0.00 0.00 30.24 29.89 3bfv n GLN 1016CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 3bfv h PRO 1017N 5.09 0.00 -0.23 -1.09 0.13 -1.67 -2.23 132.00 132.01 3bfv h PRO 1017Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 3bfv h PRO 1017Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 3bfv h PRO 1017CO 0.51 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 179.91 3bfv n LYS 1018N -2.72 2.38 -1.94 0.86 4.76 -1.26 -4.65 118.16 115.58 3bfv n LYS 1018Ca -0.01 -2.05 -0.34 0.00 -2.87 0.00 0.00 58.31 53.05 3bfv n LYS 1018Cb 0.15 -1.49 0.03 0.00 -1.84 0.00 0.00 35.03 31.88 3bfv n LYS 1018CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3bfv s SER 1019N -1.70 5.34 0.26 4.39 1.04 -0.84 -4.88 113.70 117.31 3bfv s SER 1019Ca 0.34 2.06 -0.01 0.00 0.48 0.00 0.00 55.95 58.82 3bfv s SER 1019Cb 0.21 -2.56 0.57 0.00 0.10 0.00 0.00 66.02 64.34 3bfv s SER 1019CO 0.31 -1.47 1.69 -0.65 0.98 0.00 0.00 173.24 174.10 3bfv h PRO 1020N 0.46 0.33 -0.57 4.02 0.11 -1.82 -1.80 132.00 132.73 3bfv h PRO 1020Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3bfv h PRO 1020Cb 1.25 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 3bfv h PRO 1020CO 0.55 0.22 0.36 0.82 -0.21 0.00 0.00 178.00 179.74 3bfv h ILE 1021N 0.34 1.16 -0.98 4.15 1.08 -1.56 -2.28 117.51 119.42 3bfv h ILE 1021Ca 0.47 -0.33 0.04 0.00 -0.39 0.00 0.00 64.86 64.65 3bfv h ILE 1021Cb 0.84 0.35 -0.06 0.00 -3.07 0.00 0.00 36.82 34.88 3bfv h ILE 1021CO -0.51 0.16 0.64 0.28 -0.69 0.00 0.00 178.15 178.03 3bfv h SER 1022N 0.77 1.07 -0.60 1.72 0.02 -1.60 -1.69 113.55 113.24 3bfv h SER 1022Ca 0.21 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.11 3bfv h SER 1022Cb -0.05 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.21 3bfv h SER 1022CO -0.04 0.74 0.26 -0.33 -1.14 0.00 0.00 176.83 176.31 3bfv h GLU 1023N 1.24 0.93 -0.82 3.45 4.39 -0.85 -2.37 114.58 120.55 3bfv h GLU 1023Ca 0.39 -0.14 0.02 0.00 0.34 0.00 0.00 59.36 59.96 3bfv h GLU 1023Cb -0.00 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 28.44 3bfv h GLU 1023CO -0.12 0.75 0.54 0.87 -1.16 0.00 0.00 179.01 179.89 3bfv h LYS 1024N 0.91 1.04 -0.27 2.33 1.79 -0.87 -1.54 116.57 119.97 3bfv h LYS 1024Ca 0.22 -0.06 -0.09 0.00 -2.18 0.00 0.00 60.65 58.53 3bfv h LYS 1024Cb 0.17 -0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 30.57 3bfv h LYS 1024CO -0.02 0.69 -0.23 0.74 -1.08 0.00 0.00 179.45 179.55 3bfv h PHE 1025N 1.07 0.56 -0.43 -1.35 0.04 -1.08 -1.72 116.94 114.03 3bfv h PHE 1025Ca 0.31 -0.11 -0.08 0.00 2.80 0.00 0.00 57.97 60.89 3bfv h PHE 1025Cb -0.06 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 37.93 3bfv h PHE 1025CO -0.02 0.69 -0.06 0.00 -0.60 0.00 0.00 178.31 178.33 3bfv h ARG 1026N 0.45 0.73 -0.59 1.51 3.08 -1.04 -1.86 114.38 116.67 3bfv h ARG 1026Ca 0.07 -0.21 -0.02 0.00 0.07 0.00 0.00 59.98 59.89 3bfv h ARG 1026Cb 0.64 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.59 3bfv h ARG 1026CO 0.05 0.78 0.30 0.78 -1.07 0.00 0.00 179.97 180.81 3bfv h GLY 1027N 0.96 0.90 1.00 0.04 0.00 -0.78 -0.49 103.07 104.70 3bfv h GLY 1027Ca 0.13 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 3bfv h GLY 1027CO 0.03 0.41 -0.05 -2.22 0.00 0.00 0.00 176.54 174.70 3bfv h ILE 1028N 0.80 0.90 -0.46 2.60 2.04 -1.14 -0.69 117.51 121.56 3bfv h ILE 1028Ca 0.20 -0.01 0.09 0.00 1.00 0.00 0.00 64.86 66.14 3bfv h ILE 1028Cb 0.09 0.91 -0.08 0.00 -0.74 0.00 0.00 36.82 36.99 3bfv h ILE 1028CO -0.03 0.00 -0.07 -0.09 0.00 0.00 0.00 178.15 177.96 3bfv h ARG 1029N -0.15 0.04 -0.73 2.37 2.43 -1.15 -1.55 114.38 115.64 3bfv h ARG 1029Ca -0.01 -0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.09 3bfv h ARG 1029Cb 0.11 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.62 3bfv h ARG 1029CO 0.02 0.03 0.22 1.03 -1.51 0.00 0.00 179.97 179.76 3bfv h SER 1030N 0.04 1.07 0.28 -3.80 0.87 -0.89 -2.24 113.55 108.87 3bfv h SER 1030Ca 0.22 -0.21 -0.00 0.00 -1.23 0.00 0.00 61.79 60.57 3bfv h SER 1030Cb 0.34 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 3bfv h SER 1030CO -0.44 1.00 -0.20 -1.13 -0.53 0.00 0.00 176.83 175.53 3bfv h ASN 1031N 1.08 -0.51 -0.80 6.23 -0.73 -0.63 0.40 115.58 120.62 3bfv h ASN 1031Ca 0.23 0.04 0.08 0.00 1.87 0.00 0.00 56.30 58.52 3bfv h ASN 1031Cb 0.32 0.16 -0.07 0.00 0.27 0.00 0.00 38.32 39.00 3bfv h ASN 1031CO -0.01 -0.31 0.46 0.40 -0.37 0.00 0.00 177.43 177.61 3bfv h ILE 1032N -0.47 0.94 0.00 2.57 2.04 -1.16 -0.67 117.51 120.76 3bfv h ILE 1032Ca -0.02 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.56 3bfv h ILE 1032Cb 0.41 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 3bfv h ILE 1032CO 0.00 0.15 -0.76 0.24 0.00 0.00 0.00 178.15 177.78 3bfv h MET 1033N 0.80 0.00 0.00 2.37 2.86 -1.22 -3.42 114.93 116.32 3bfv h MET 1033Ca 0.38 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.02 3bfv h MET 1033Cb 0.30 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.96 3bfv h MET 1033CO -0.22 0.00 -0.20 1.19 1.06 0.00 0.00 176.91 178.74 3bfv n PHE 1034N -2.52 0.00 0.06 -0.22 3.72 0.11 -4.85 117.46 113.76 3bfv n PHE 1034Ca 0.02 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.44 3bfv n PHE 1034Cb 0.51 0.00 0.38 0.00 -0.94 0.00 0.00 39.48 39.43 3bfv n PHE 1034CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3bfv h ALA 1035N 0.00 1.53 -3.06 4.37 0.00 -1.19 -3.40 119.26 117.51 3bfv h ALA 1035Ca 0.00 -0.16 -0.63 0.00 0.00 0.00 0.00 54.91 54.12 3bfv h ALA 1035Cb 0.00 -0.12 -0.17 0.00 0.00 0.00 0.00 17.79 17.51 3bfv h ALA 1035CO 0.00 0.34 -0.54 -0.80 0.00 0.00 0.00 179.25 178.25 3bfv s ASN 1036N -6.81 5.84 0.00 0.00 0.01 -1.26 -4.99 114.94 107.73 3bfv s ASN 1036Ca -0.07 0.02 -0.02 0.00 -0.71 0.00 0.00 52.86 52.09 3bfv s ASN 1036Cb 0.16 -2.05 -0.07 0.00 0.41 0.00 0.00 41.25 39.70 3bfv s ASN 1036CO 0.74 0.04 1.35 -2.65 -1.51 0.00 0.00 177.10 175.07 3bfv n PRO 1037N 4.43 0.61 0.00 -0.60 -0.02 -1.26 -2.87 135.00 135.29 3bfv n PRO 1037Ca -0.15 -0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.07 3bfv n PRO 1037Cb 0.52 -1.58 0.00 0.00 -0.02 0.00 0.00 33.50 32.42 3bfv n PRO 1037CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3bfv n ASP 1038N 2.55 0.00 -4.85 2.55 2.03 -1.26 -5.15 116.55 112.42 3bfv n ASP 1038Ca 0.11 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 55.10 3bfv n ASP 1038Cb 0.28 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.68 3bfv n ASP 1038CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 3bfv s SER 1039N -0.19 6.24 -0.49 1.67 0.15 -1.14 -5.03 113.70 114.90 3bfv s SER 1039Ca 0.00 1.54 0.08 0.00 0.70 0.00 0.00 55.95 58.26 3bfv s SER 1039Cb 0.00 -2.49 0.30 0.00 -1.71 0.00 0.00 66.02 62.12 3bfv s SER 1039CO 0.00 -0.86 0.74 0.00 1.20 0.00 0.00 173.24 174.32 3bfv n ALA 1040N -2.29 3.26 -2.33 5.45 0.00 -1.26 -5.02 120.51 118.32 3bfv n ALA 1040Ca 0.07 -4.05 -0.43 0.00 0.00 0.00 0.00 53.44 49.03 3bfv n ALA 1040Cb 0.54 -0.84 -0.02 0.00 0.00 0.00 0.00 19.45 19.12 3bfv n ALA 1040CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3bfv s VAL 1041N -2.63 3.94 -0.13 0.00 1.01 -1.26 -4.87 120.40 116.46 3bfv s VAL 1041Ca 0.41 1.02 0.19 0.00 0.00 0.00 0.00 61.98 63.60 3bfv s VAL 1041Cb 0.24 -4.10 -0.17 0.00 0.00 0.00 0.00 36.38 32.35 3bfv s VAL 1041CO -0.09 -0.58 0.67 0.00 0.00 0.00 0.00 175.10 175.11 3bfv n GLN 1042N 7.75 0.64 -3.48 2.72 6.02 -1.26 -4.97 117.38 124.79 3bfv n GLN 1042Ca 0.16 0.08 -0.14 0.00 -0.01 0.00 0.00 57.00 57.09 3bfv n GLN 1042Cb 0.47 -1.70 -0.04 0.00 1.02 0.00 0.00 30.24 29.99 3bfv n GLN 1042CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3bfv s SER 1043N -5.38 -0.57 0.03 1.08 1.04 -1.26 -2.09 113.70 106.54 3bfv s SER 1043Ca -0.05 0.35 0.01 0.00 0.48 0.00 0.00 55.95 56.73 3bfv s SER 1043Cb 0.10 0.53 -0.02 0.00 0.10 0.00 0.00 66.02 66.73 3bfv s SER 1043CO 0.83 -0.73 -0.04 0.27 0.98 0.00 0.00 173.24 174.55 3bfv s ILE 1044N -2.37 0.23 -0.07 -1.02 -4.36 -0.51 -4.53 121.20 108.57 3bfv s ILE 1044Ca -0.04 -0.95 -0.14 0.00 -0.26 0.00 0.00 60.65 59.26 3bfv s ILE 1044Cb -0.01 -0.36 -0.05 0.00 1.25 0.00 0.00 42.46 43.30 3bfv s ILE 1044CO -0.01 -0.46 0.34 -0.69 0.24 0.00 0.00 174.94 174.36 3bfv s VAL 1045N -1.42 5.19 -0.27 8.37 1.01 -0.58 -0.93 120.40 131.76 3bfv s VAL 1045Ca -0.14 0.68 -0.07 0.00 0.00 0.00 0.00 61.98 62.44 3bfv s VAL 1045Cb -0.10 -3.65 -0.01 0.00 0.00 0.00 0.00 36.38 32.62 3bfv s VAL 1045CO -0.01 0.51 0.08 -0.63 0.00 0.00 0.00 175.10 175.06 3bfv s ILE 1046N -0.51 4.20 0.33 2.22 -1.09 -0.49 -0.40 121.20 125.46 3bfv s ILE 1046Ca 0.21 -0.40 0.07 0.00 -2.23 0.00 0.00 60.65 58.29 3bfv s ILE 1046Cb -0.15 -3.06 -0.03 0.00 -1.58 0.00 0.00 42.46 37.64 3bfv s ILE 1046CO 0.09 0.21 0.30 1.07 -1.23 0.00 0.00 174.94 175.38 3bfv n THR 1047N 4.91 0.00 -3.89 2.92 5.66 -0.66 -3.06 114.28 120.16 3bfv n THR 1047Ca -0.15 -2.37 -0.08 0.00 -3.05 0.00 0.00 64.05 58.40 3bfv n THR 1047Cb 0.50 1.20 -0.03 0.00 -1.55 0.00 0.00 70.33 70.45 3bfv n THR 1047CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3bfv s SER 1048N -3.30 -0.21 0.15 1.09 1.04 -1.26 -0.31 113.70 110.90 3bfv s SER 1048Ca 0.39 -0.69 -0.09 0.00 0.48 0.00 0.00 55.95 56.03 3bfv s SER 1048Cb 0.02 0.67 -0.02 0.00 0.10 0.00 0.00 66.02 66.78 3bfv s SER 1048CO 0.27 -1.25 1.45 1.05 0.98 0.00 0.00 173.24 175.75 3bfv h GLU 1049N 2.10 0.81 -4.70 4.02 9.09 -1.91 0.42 114.58 124.41 3bfv h GLU 1049Ca -0.22 -0.49 -0.25 0.00 0.05 0.00 0.00 59.36 58.45 3bfv h GLU 1049Cb 1.25 0.05 -0.15 0.00 -1.65 0.00 0.00 28.75 28.25 3bfv h GLU 1049CO 0.29 1.12 -0.68 0.00 0.05 0.00 0.00 179.01 179.78 3bfv s ALA 1050N -4.16 1.11 0.63 1.06 0.00 -1.26 -2.37 121.76 116.76 3bfv s ALA 1050Ca -0.10 -1.44 -0.19 0.00 0.00 0.00 0.00 51.96 50.23 3bfv s ALA 1050Cb 0.11 0.32 -0.02 0.00 0.00 0.00 0.00 23.12 23.53 3bfv s ALA 1050CO 0.88 -0.27 1.30 -2.30 0.00 0.00 0.00 175.76 175.37 3bfv n PRO 1051N -0.12 1.23 -0.92 0.00 -0.02 -1.26 -3.56 135.00 130.36 3bfv n PRO 1051Ca -0.10 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 3bfv n PRO 1051Cb 0.62 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 3bfv n PRO 1051CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bfv n GLY 1052N 0.90 0.72 0.21 -1.23 0.00 -1.26 -4.92 105.19 99.61 3bfv n GLY 1052Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3bfv n GLY 1052CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bfv h ALA 1053N 0.00 1.31 0.00 4.61 0.00 -1.93 -3.47 119.26 119.78 3bfv h ALA 1053Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3bfv h ALA 1053Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3bfv h ALA 1053CO 0.00 0.47 0.00 0.41 0.00 0.00 0.00 179.25 180.13 3bfv n GLY 1054N -0.51 1.81 0.28 0.00 0.00 -1.26 -4.15 105.19 101.35 3bfv n GLY 1054Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 3bfv n GLY 1054CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bfv h LYS 1055N 0.08 -0.33 -0.65 1.61 1.57 -1.90 0.03 116.57 116.98 3bfv h LYS 1055Ca 0.00 0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.72 3bfv h LYS 1055Cb 0.00 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 3bfv h LYS 1055CO 0.00 -0.22 0.07 0.77 -0.57 0.00 0.00 179.45 179.51 3bfv h SER 1056N -0.34 1.06 -0.34 0.86 0.02 -1.93 0.62 113.55 113.51 3bfv h SER 1056Ca 0.09 -0.27 -0.07 0.00 -0.84 0.00 0.00 61.79 60.70 3bfv h SER 1056Cb 0.47 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 3bfv h SER 1056CO -0.28 1.07 -0.05 0.74 -1.14 0.00 0.00 176.83 177.17 3bfv h THR 1057N 1.02 1.27 -0.37 -2.27 2.02 -1.93 -1.48 112.91 111.17 3bfv h THR 1057Ca 0.19 -1.08 -0.10 0.00 0.77 0.00 0.00 66.41 66.20 3bfv h THR 1057Cb 0.48 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 68.17 3bfv h THR 1057CO 0.02 0.35 -0.15 0.40 0.37 0.00 0.00 175.52 176.51 3bfv h ILE 1058N 0.42 1.28 -0.45 3.11 5.03 -0.83 -2.19 117.51 123.88 3bfv h ILE 1058Ca 0.09 -1.26 0.03 0.00 -0.12 0.00 0.00 64.86 63.60 3bfv h ILE 1058Cb 0.53 1.31 -0.03 0.00 -3.03 0.00 0.00 36.82 35.60 3bfv h ILE 1058CO 0.03 0.42 0.26 0.00 -0.68 0.00 0.00 178.15 178.17 3bfv h ALA 1059N 0.81 0.57 -0.14 1.87 0.00 -0.83 -0.34 119.26 121.20 3bfv h ALA 1059Ca 0.09 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3bfv h ALA 1059Cb 0.68 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 3bfv h ALA 1059CO 0.05 -0.07 -0.09 0.00 0.00 0.00 0.00 179.25 179.13 3bfv h ALA 1060N 1.21 0.20 -0.72 0.00 0.00 -1.20 -0.89 119.26 117.87 3bfv h ALA 1060Ca 0.19 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 3bfv h ALA 1060Cb 0.04 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3bfv h ALA 1060CO -0.10 0.03 0.19 -0.91 0.00 0.00 0.00 179.25 178.46 3bfv h ASN 1061N -0.03 1.07 -0.62 0.00 4.21 -1.37 -1.99 115.58 116.85 3bfv h ASN 1061Ca 0.03 -0.22 -0.03 0.00 1.21 0.00 0.00 56.30 57.30 3bfv h ASN 1061Cb 0.58 -0.28 -0.03 0.00 -1.12 0.00 0.00 38.32 37.48 3bfv h ASN 1061CO 0.03 1.01 0.29 0.25 -1.29 0.00 0.00 177.43 177.71 3bfv h LEU 1062N 1.08 0.82 -0.59 1.61 5.85 -0.99 -1.03 115.31 122.06 3bfv h LEU 1062Ca 0.23 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.84 3bfv h LEU 1062Cb 0.35 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 3bfv h LEU 1062CO -0.00 0.73 0.34 0.00 -0.34 0.00 0.00 178.44 179.17 3bfv h ALA 1063N 1.12 0.77 -0.48 1.25 0.00 -0.87 -0.51 119.26 120.54 3bfv h ALA 1063Ca 0.21 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 3bfv h ALA 1063Cb 0.14 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3bfv h ALA 1063CO -0.02 0.05 0.23 0.28 0.00 0.00 0.00 179.25 179.78 3bfv h VAL 1064N 0.66 1.19 -0.62 0.00 2.07 -1.09 -0.71 116.25 117.75 3bfv h VAL 1064Ca 0.25 -0.53 0.07 0.00 0.82 0.00 0.00 66.70 67.30 3bfv h VAL 1064Cb 0.08 0.66 -0.06 0.00 -1.52 0.00 0.00 31.29 30.45 3bfv h VAL 1064CO -0.13 0.21 0.31 0.00 0.02 0.00 0.00 177.57 177.98 3bfv h ALA 1065N 1.07 0.82 -0.11 1.67 0.00 -0.67 0.55 119.26 122.60 3bfv h ALA 1065Ca 0.16 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3bfv h ALA 1065Cb 0.12 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3bfv h ALA 1065CO -0.02 -0.06 0.07 1.88 0.00 0.00 0.00 179.25 181.12 3bfv h TYR 1066N 0.56 0.14 -0.79 0.00 0.05 -0.69 -2.36 116.97 113.88 3bfv h TYR 1066Ca 0.29 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.08 3bfv h TYR 1066Cb 0.25 -0.05 -0.04 0.00 1.01 0.00 0.00 36.73 37.91 3bfv h TYR 1066CO -0.11 0.10 0.52 0.00 -1.05 0.00 0.00 178.16 177.62 3bfv h ALA 1067N 1.02 1.01 -0.24 3.88 0.00 -0.72 -2.31 119.26 121.90 3bfv h ALA 1067Ca 0.04 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3bfv h ALA 1067Cb 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3bfv h ALA 1067CO -0.01 0.43 -0.02 1.96 0.00 0.00 0.00 179.25 181.61 3bfv h GLN 1068N 1.08 0.36 0.00 0.00 4.20 -0.80 -1.70 115.11 118.25 3bfv h GLN 1068Ca 0.29 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.93 3bfv h GLN 1068Cb -0.11 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.62 3bfv h GLN 1068CO -0.06 0.41 0.00 0.00 -0.67 0.00 0.00 178.83 178.50 3bfv n ALA 1069N -2.49 1.96 0.00 3.87 0.00 -0.90 -4.91 120.51 118.05 3bfv n ALA 1069Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3bfv n ALA 1069Cb 0.22 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.31 3bfv n ALA 1069CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bfv n GLY 1070N 0.66 0.97 3.70 0.00 0.00 -0.64 -5.08 105.19 104.80 3bfv n GLY 1070Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3bfv n GLY 1070CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3bfv s TYR 1071N -2.00 3.57 -0.32 1.61 2.02 -0.95 -4.99 117.35 116.29 3bfv s TYR 1071Ca 0.00 1.60 -0.28 0.00 -0.37 0.00 0.00 57.07 58.02 3bfv s TYR 1071Cb 0.00 -3.13 -0.02 0.00 -0.40 0.00 0.00 41.96 38.41 3bfv s TYR 1071CO 0.00 -0.12 1.76 0.21 -1.57 0.00 0.00 175.55 175.83 3bfv s LYS 1072N 1.53 3.39 -0.01 -0.62 2.20 -1.26 -4.00 119.74 120.98 3bfv s LYS 1072Ca 0.49 1.42 0.08 0.00 -0.36 0.00 0.00 55.97 57.60 3bfv s LYS 1072Cb -0.19 -4.17 -0.02 0.00 -1.51 0.00 0.00 37.83 31.93 3bfv s LYS 1072CO 0.22 -1.79 -0.25 0.99 -0.36 0.00 0.00 175.35 174.16 3bfv s THR 1073N 6.65 2.13 -0.09 3.43 2.01 0.47 -0.90 115.64 129.34 3bfv s THR 1073Ca 0.78 -1.16 0.04 0.00 0.31 0.00 0.00 61.69 61.66 3bfv s THR 1073Cb -0.22 -1.76 -0.00 0.00 0.01 0.00 0.00 72.50 70.53 3bfv s THR 1073CO 0.34 0.53 -0.23 -0.22 -0.69 0.00 0.00 174.62 174.34 3bfv s LEU 1074N -0.78 2.04 -0.21 4.42 2.96 -0.55 -0.94 118.68 125.62 3bfv s LEU 1074Ca 0.11 -0.52 -0.08 0.00 -0.22 0.00 0.00 54.13 53.42 3bfv s LEU 1074Cb -0.10 -1.33 -0.04 0.00 0.50 0.00 0.00 46.19 45.22 3bfv s LEU 1074CO -0.00 0.16 0.09 -0.51 -1.32 0.00 0.00 176.35 174.77 3bfv s ILE 1075N 0.26 4.83 -0.22 6.68 2.07 -0.68 -0.71 121.20 133.43 3bfv s ILE 1075Ca -0.15 -0.01 -0.08 0.00 -1.41 0.00 0.00 60.65 59.00 3bfv s ILE 1075Cb -0.17 -3.21 -0.04 0.00 0.13 0.00 0.00 42.46 39.17 3bfv s ILE 1075CO 0.07 0.40 0.08 -0.69 -1.91 0.00 0.00 174.94 172.89 3bfv s VAL 1076N 0.84 4.67 -1.08 4.00 1.01 0.85 -0.75 120.40 129.93 3bfv s VAL 1076Ca 0.05 -0.06 -0.21 0.00 0.00 0.00 0.00 61.98 61.76 3bfv s VAL 1076Cb -0.13 -3.15 0.07 0.00 0.00 0.00 0.00 36.38 33.17 3bfv s VAL 1076CO 0.02 0.39 1.47 -0.62 0.00 0.00 0.00 175.10 176.36 3bfv s ASP 1077N 1.01 6.64 -0.01 3.32 -1.08 0.58 -1.05 116.67 126.08 3bfv s ASP 1077Ca 0.04 -1.88 0.10 0.00 -0.52 0.00 0.00 52.55 50.29 3bfv s ASP 1077Cb -0.14 -2.54 0.30 0.00 -1.46 0.00 0.00 42.92 39.08 3bfv s ASP 1077CO 0.03 -1.31 1.22 0.61 0.52 0.00 0.00 175.17 176.24 3bfv n GLY 1078N 6.15 0.69 3.40 2.66 0.00 -0.04 -3.93 105.19 114.11 3bfv n GLY 1078Ca 0.36 -0.36 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 3bfv n GLY 1078CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3bfv s ASP 1079N -0.93 6.67 -0.11 1.61 -1.08 -1.13 -4.39 116.67 117.31 3bfv s ASP 1079Ca 0.22 -2.28 0.09 0.00 -0.52 0.00 0.00 52.55 50.06 3bfv s ASP 1079Cb 0.12 -2.32 0.44 0.00 -1.46 0.00 0.00 42.92 39.70 3bfv s ASP 1079CO 0.14 -0.87 1.21 0.23 0.52 0.00 0.00 175.17 176.40 3bfv n MET 1080N 5.49 2.95 -0.05 4.34 2.81 -1.26 -2.58 117.12 128.82 3bfv n MET 1080Ca 0.18 -1.70 -0.10 0.00 -1.81 0.00 0.00 57.70 54.27 3bfv n MET 1080Cb 0.48 -1.82 -0.03 0.00 -0.71 0.00 0.00 33.22 31.14 3bfv n MET 1080CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3bfv n ARG 1081N 0.41 0.24 -3.18 0.03 1.74 -1.26 -4.22 116.66 110.41 3bfv n ARG 1081Ca 0.15 0.10 -0.23 0.00 -0.77 0.00 0.00 57.85 57.11 3bfv n ARG 1081Cb 0.70 -0.90 -0.05 0.00 -1.02 0.00 0.00 32.46 31.19 3bfv n ARG 1081CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3bfv n LYS 1082N -3.59 1.55 -2.05 5.56 5.02 -1.26 -5.06 118.16 118.33 3bfv n LYS 1082Ca -0.19 -3.80 -0.38 0.00 -2.02 0.00 0.00 58.31 51.92 3bfv n LYS 1082Cb 0.56 -1.75 0.01 0.00 -0.02 0.00 0.00 35.03 33.84 3bfv n LYS 1082CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3bfv s PRO 1083N -2.28 3.48 0.00 1.97 0.04 -1.07 -4.97 135.00 132.18 3bfv s PRO 1083Ca 0.40 1.97 0.00 0.00 0.04 0.00 0.00 61.00 63.41 3bfv s PRO 1083Cb 0.26 -2.33 0.00 0.00 0.04 0.00 0.00 34.50 32.46 3bfv s PRO 1083CO -0.09 -0.83 0.06 0.25 0.04 0.00 0.00 177.00 176.42 3bfv n THR 1084N -0.74 0.00 0.06 1.26 -2.24 -1.26 -4.87 114.28 106.49 3bfv n THR 1084Ca 0.09 -0.08 0.04 0.00 -2.27 0.00 0.00 64.05 61.83 3bfv n THR 1084Cb 0.47 1.63 0.43 0.00 -2.10 0.00 0.00 70.33 70.76 3bfv n THR 1084CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 3bfv h GLN 1085N 0.00 0.39 -0.06 -0.78 1.08 -1.94 -0.44 115.11 113.35 3bfv h GLN 1085Ca 0.00 -0.04 -0.08 0.00 -1.45 0.00 0.00 58.65 57.08 3bfv h GLN 1085Cb 0.31 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 3bfv h GLN 1085CO 0.00 0.33 -0.33 1.12 -0.95 0.00 0.00 178.83 179.01 3bfv h HIS 1086N 0.40 0.14 -0.09 2.96 2.07 -1.89 -1.16 115.15 117.58 3bfv h HIS 1086Ca 0.10 -0.03 -0.04 0.00 -2.85 0.00 0.00 60.37 57.56 3bfv h HIS 1086Cb 0.09 -0.03 -0.00 0.00 2.57 0.00 0.00 27.41 30.03 3bfv h HIS 1086CO 0.00 0.44 -0.08 1.88 -3.07 0.00 0.00 177.93 177.10 3bfv h TYR 1087N 0.11 0.25 -0.47 6.12 0.05 -1.48 0.74 116.97 122.29 3bfv h TYR 1087Ca 0.01 -0.07 -0.01 0.00 0.05 0.00 0.00 58.73 58.71 3bfv h TYR 1087Cb 0.64 -0.05 -0.02 0.00 1.01 0.00 0.00 36.73 38.30 3bfv h TYR 1087CO 0.01 0.64 0.26 0.82 -1.05 0.00 0.00 178.16 178.83 3bfv h ILE 1088N -0.21 1.17 -0.20 -2.88 2.04 -0.87 -2.80 117.51 113.76 3bfv h ILE 1088Ca 0.01 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.43 3bfv h ILE 1088Cb 0.59 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 3bfv h ILE 1088CO 0.02 0.18 0.00 0.49 0.00 0.00 0.00 178.15 178.84 3bfv n PHE 1089N -4.67 0.25 -3.60 1.37 3.72 -0.46 -4.88 117.46 109.20 3bfv n PHE 1089Ca 0.02 -0.13 -0.22 0.00 -0.05 0.00 0.00 57.45 57.07 3bfv n PHE 1089Cb 0.09 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.67 3bfv n PHE 1089CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3bfv n ASN 1090N 0.79 -2.89 -4.46 4.37 5.15 -0.63 -5.01 115.26 112.57 3bfv n ASN 1090Ca 0.17 -0.82 -0.27 0.00 -0.60 0.00 0.00 54.58 53.07 3bfv n ASN 1090Cb 0.45 -4.23 -0.11 0.00 -0.53 0.00 0.00 39.78 35.36 3bfv n ASN 1090CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3bfv s LEU 1091N -6.39 2.58 0.78 1.20 1.43 0.16 -5.04 118.68 113.40 3bfv s LEU 1091Ca 0.16 -0.79 -0.11 0.00 -1.03 0.00 0.00 54.13 52.36 3bfv s LEU 1091Cb -0.04 -1.30 0.06 0.00 0.03 0.00 0.00 46.19 44.94 3bfv s LEU 1091CO 0.80 0.11 1.11 -2.84 0.23 0.00 0.00 176.35 175.76 3bfv s PRO 1092N -2.74 2.16 -0.24 1.29 0.02 -1.26 -4.67 135.00 129.56 3bfv s PRO 1092Ca 0.22 1.27 0.19 0.00 0.02 0.00 0.00 61.00 62.71 3bfv s PRO 1092Cb -0.08 -1.88 0.49 0.00 0.02 0.00 0.00 34.50 33.05 3bfv s PRO 1092CO 0.11 -1.73 1.14 -1.71 -0.33 0.00 0.00 177.00 174.48 3bfv n ASN 1093N -3.44 2.25 0.10 2.53 5.15 -1.26 -4.82 115.26 115.76 3bfv n ASN 1093Ca 0.10 -2.47 0.05 0.00 -0.60 0.00 0.00 54.58 51.65 3bfv n ASN 1093Cb 0.53 -0.43 -0.01 0.00 -0.53 0.00 0.00 39.78 39.34 3bfv n ASN 1093CO 0.00 0.00 0.00 0.78 1.40 0.00 0.00 177.26 179.44 3bfv h ASN 1094N 2.27 0.00 -4.22 1.20 -0.26 -1.94 -3.32 115.58 109.31 3bfv h ASN 1094Ca -0.03 0.00 -0.47 0.00 -0.56 0.00 0.00 56.30 55.23 3bfv h ASN 1094Cb 1.39 0.00 -0.21 0.00 -1.06 0.00 0.00 38.32 38.44 3bfv h ASN 1094CO 0.29 0.36 -0.79 -1.61 -1.06 0.00 0.00 177.43 174.62 3bfv s GLU 1095N -3.07 1.00 0.00 0.81 2.02 -1.26 -4.47 118.70 113.72 3bfv s GLU 1095Ca 0.00 -1.12 0.00 0.00 0.02 0.00 0.00 54.97 53.88 3bfv s GLU 1095Cb 0.08 -1.08 0.00 0.00 0.10 0.00 0.00 34.13 33.23 3bfv s GLU 1095CO 0.78 0.24 0.00 0.41 0.02 0.00 0.00 175.26 176.70 3bfv n GLY 1096N 0.99 -0.69 0.13 -1.39 0.00 -1.26 -4.28 105.19 98.69 3bfv n GLY 1096Ca -0.19 -0.47 -0.07 0.00 0.00 0.00 0.00 46.02 45.29 3bfv n GLY 1096CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3bfv h LEU 1097N 0.00 -0.24 -0.37 0.99 5.85 -0.04 -0.29 115.31 121.21 3bfv h LEU 1097Ca 0.00 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 3bfv h LEU 1097Cb 0.00 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 3bfv h LEU 1097CO 0.00 -0.09 0.21 0.77 -0.34 0.00 0.00 178.44 178.99 3bfv h SER 1098N 0.00 0.45 0.15 1.25 4.64 -1.15 -1.39 113.55 117.50 3bfv h SER 1098Ca 0.13 -0.07 -0.15 0.00 -0.47 0.00 0.00 61.79 61.22 3bfv h SER 1098Cb 0.19 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 3bfv h SER 1098CO -0.27 0.39 -0.55 0.77 -0.87 0.00 0.00 176.83 176.30 3bfv h SER 1099N 0.47 0.47 -0.24 4.97 4.64 -1.75 -1.94 113.55 120.18 3bfv h SER 1099Ca 0.13 -0.25 -0.01 0.00 -0.47 0.00 0.00 61.79 61.18 3bfv h SER 1099Cb 0.04 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 61.98 3bfv h SER 1099CO -0.02 0.93 0.10 0.25 -0.87 0.00 0.00 176.83 177.21 3bfv h LEU 1100N 0.33 0.33 -1.51 5.97 5.85 -0.89 0.13 115.31 125.52 3bfv h LEU 1100Ca 0.01 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.51 3bfv h LEU 1100Cb 1.07 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 3bfv h LEU 1100CO 0.10 0.40 -0.24 -0.07 -0.34 0.00 0.00 178.44 178.28 3bfv h LEU 1101N 0.24 0.00 -1.28 2.25 3.38 -1.08 -1.45 115.31 117.37 3bfv h LEU 1101Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3bfv h LEU 1101Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3bfv h LEU 1101CO -0.01 0.24 0.00 0.18 0.09 0.00 0.00 178.44 178.95 3bfv n LEU 1102N -3.85 1.88 -1.72 1.67 4.77 -0.74 -4.87 117.00 114.15 3bfv n LEU 1102Ca -0.02 -0.88 -0.17 0.00 -0.03 0.00 0.00 56.01 54.91 3bfv n LEU 1102Cb 0.33 -0.19 -0.06 0.00 -2.33 0.00 0.00 43.42 41.18 3bfv n LEU 1102CO 0.35 0.44 -0.18 -3.20 -1.33 0.00 0.00 177.39 173.46 3bfv n ASN 1103N 0.49 -4.70 0.15 -1.43 5.15 -0.54 -4.86 115.26 109.51 3bfv n ASN 1103Ca 0.14 0.35 0.04 0.00 -0.60 0.00 0.00 54.58 54.51 3bfv n ASN 1103Cb 0.33 -4.16 0.08 0.00 -0.53 0.00 0.00 39.78 35.50 3bfv n ASN 1103CO 0.00 0.00 0.00 -0.50 1.40 0.00 0.00 177.26 178.16 3bfv h TRP 1104N 0.00 0.00 -3.71 1.20 6.55 -0.98 -3.46 115.95 115.54 3bfv h TRP 1104Ca -0.37 0.00 -0.33 0.00 0.95 0.00 0.00 58.89 59.14 3bfv h TRP 1104Cb 1.17 0.00 -0.18 0.00 -0.86 0.00 0.00 29.16 29.30 3bfv h TRP 1104CO 0.52 0.45 -0.74 -1.54 -1.05 0.00 0.00 178.44 176.09 3bfv s SER 1105N -6.43 1.52 0.47 -3.49 1.04 -0.93 -4.98 113.70 100.90 3bfv s SER 1105Ca 0.04 -0.81 -0.09 0.00 0.48 0.00 0.00 55.95 55.57 3bfv s SER 1105Cb 0.08 -0.00 -0.05 0.00 0.10 0.00 0.00 66.02 66.15 3bfv s SER 1105CO 0.73 -0.24 0.82 0.42 0.98 0.00 0.00 173.24 175.94 3bfv s THR 1106N -2.38 4.81 0.17 2.02 -4.23 -1.26 -4.34 115.64 110.44 3bfv s THR 1106Ca 0.06 0.52 -0.20 0.00 -1.18 0.00 0.00 61.69 60.89 3bfv s THR 1106Cb -0.03 -3.80 0.10 0.00 1.34 0.00 0.00 72.50 70.11 3bfv s THR 1106CO 0.00 -0.73 1.61 0.22 -0.54 0.00 0.00 174.62 175.19 3bfv h TYR 1107N 0.65 -0.67 0.00 3.99 3.20 -1.99 -1.19 116.97 120.96 3bfv h TYR 1107Ca -0.47 0.05 -0.05 0.00 3.14 0.00 0.00 58.73 61.40 3bfv h TYR 1107Cb 1.19 0.36 -0.01 0.00 1.54 0.00 0.00 36.73 39.82 3bfv h TYR 1107CO 0.61 -0.33 -0.26 -0.56 -1.64 0.00 0.00 178.16 175.98 3bfv h GLN 1108N -0.17 0.00 0.00 1.82 -0.00 -1.94 -2.23 115.11 112.59 3bfv h GLN 1108Ca 0.20 0.00 -0.07 0.00 -0.00 0.00 0.00 58.65 58.78 3bfv h GLN 1108Cb 0.49 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.96 3bfv h GLN 1108CO -0.54 0.26 -0.66 -0.44 -0.00 0.00 0.00 178.83 177.45 3bfv h ASP 1109N 0.00 0.00 0.53 0.06 3.32 -1.83 -3.38 116.42 115.12 3bfv h ASP 1109Ca -0.00 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.76 3bfv h ASP 1109Cb 0.49 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.00 3bfv h ASP 1109CO 0.03 0.29 -1.60 0.28 -1.72 0.00 0.00 179.24 176.52 3bfv h SER 1110N 0.00 0.08 -3.27 6.45 0.02 -0.62 -3.45 113.55 112.76 3bfv h SER 1110Ca -0.03 -0.15 -0.58 0.00 -0.84 0.00 0.00 61.79 60.18 3bfv h SER 1110Cb 1.25 -0.03 -0.08 0.00 0.14 0.00 0.00 62.40 63.68 3bfv h SER 1110CO 0.03 1.13 -0.17 -0.63 -1.14 0.00 0.00 176.83 176.05 3bfv s ILE 1111N -2.61 5.17 -0.17 3.27 1.01 -1.08 -4.42 121.20 122.36 3bfv s ILE 1111Ca -0.06 0.89 -0.06 0.00 0.00 0.00 0.00 60.65 61.42 3bfv s ILE 1111Cb 0.08 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.74 3bfv s ILE 1111CO 0.82 0.38 0.02 -0.63 0.00 0.00 0.00 174.94 175.53 3bfv s ILE 1112N 0.30 4.43 -0.41 2.92 1.01 -0.05 -4.93 121.20 124.48 3bfv s ILE 1112Ca 0.24 -0.16 -0.25 0.00 0.00 0.00 0.00 60.65 60.48 3bfv s ILE 1112Cb -0.15 -2.98 0.02 0.00 0.01 0.00 0.00 42.46 39.36 3bfv s ILE 1112CO 0.10 0.47 0.87 -0.55 0.00 0.00 0.00 174.94 175.84 3bfv s SER 1113N 0.36 6.55 0.94 3.58 0.15 -1.26 -0.69 113.70 123.33 3bfv s SER 1113Ca 0.00 0.28 -0.13 0.00 0.70 0.00 0.00 55.95 56.80 3bfv s SER 1113Cb -0.13 -2.43 0.15 0.00 -1.71 0.00 0.00 66.02 61.90 3bfv s SER 1113CO 0.01 -0.90 1.15 0.42 1.20 0.00 0.00 173.24 175.13 3bfv s THR 1114N 3.45 1.97 -1.43 6.45 -4.23 -0.92 -4.93 115.64 115.99 3bfv s THR 1114Ca 0.35 0.00 0.19 0.00 -1.18 0.00 0.00 61.69 61.05 3bfv s THR 1114Cb -0.12 -2.76 0.34 0.00 1.34 0.00 0.00 72.50 71.30 3bfv s THR 1114CO 0.21 0.00 1.60 -1.84 -0.54 0.00 0.00 174.62 174.05 3bfv n GLU 1115N -3.84 0.28 -3.25 3.99 0.28 -1.26 -4.61 120.64 112.22 3bfv n GLU 1115Ca 0.08 0.10 -0.40 0.00 -0.16 0.00 0.00 57.16 56.78 3bfv n GLU 1115Cb 0.59 -1.50 -0.08 0.00 1.43 0.00 0.00 31.44 31.89 3bfv n GLU 1115CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 3bfv s ILE 1116N -2.57 5.07 0.49 3.84 1.01 -1.26 -5.04 121.20 122.75 3bfv s ILE 1116Ca 0.18 0.77 -0.23 0.00 0.00 0.00 0.00 60.65 61.37 3bfv s ILE 1116Cb 0.13 -3.83 -0.06 0.00 0.01 0.00 0.00 42.46 38.70 3bfv s ILE 1116CO 0.29 0.05 1.29 -0.70 0.00 0.00 0.00 174.94 175.88 3bfv s GLU 1117N 2.30 3.50 0.00 2.79 2.12 -1.26 -1.55 118.70 126.60 3bfv s GLU 1117Ca 0.20 2.09 0.00 0.00 0.36 0.00 0.00 54.97 57.62 3bfv s GLU 1117Cb -0.16 -2.41 0.00 0.00 0.26 0.00 0.00 34.13 31.82 3bfv s GLU 1117CO 0.10 -0.85 0.00 -0.25 -0.54 0.00 0.00 175.26 173.71 3bfv n ASP 1118N -0.62 -2.81 -4.19 -1.70 8.00 -1.26 -4.66 116.55 109.31 3bfv n ASP 1118Ca 0.08 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.24 3bfv n ASP 1118Cb 0.45 -1.58 -0.15 0.00 -0.02 0.00 0.00 41.12 39.82 3bfv n ASP 1118CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3bfv s LEU 1119N 0.00 2.72 0.13 0.64 2.96 -0.59 -0.39 118.68 124.14 3bfv s LEU 1119Ca 0.00 -0.69 0.05 0.00 -0.22 0.00 0.00 54.13 53.27 3bfv s LEU 1119Cb 0.00 -1.61 -0.04 0.00 0.50 0.00 0.00 46.19 45.04 3bfv s LEU 1119CO 0.00 -0.05 0.04 -1.81 -1.32 0.00 0.00 176.35 173.21 3bfv s ASP 1120N 1.34 5.15 -0.07 3.68 1.01 -0.12 -2.17 116.67 125.50 3bfv s ASP 1120Ca 0.03 -0.20 0.03 0.00 0.71 0.00 0.00 52.55 53.12 3bfv s ASP 1120Cb -0.15 -1.25 0.01 0.00 1.01 0.00 0.00 42.92 42.54 3bfv s ASP 1120CO -0.07 0.13 -0.14 -0.69 0.21 0.00 0.00 175.17 174.60 3bfv s VAL 1121N -1.54 1.25 -0.44 -1.27 1.01 0.13 -1.69 120.40 117.86 3bfv s VAL 1121Ca 0.28 -0.55 -0.11 0.00 0.00 0.00 0.00 61.98 61.60 3bfv s VAL 1121Cb -0.11 -1.13 0.08 0.00 0.00 0.00 0.00 36.38 35.23 3bfv s VAL 1121CO 0.20 0.38 0.31 -0.22 0.00 0.00 0.00 175.10 175.77 3bfv s LEU 1122N 0.57 5.35 1.01 3.92 2.96 0.07 -0.87 118.68 131.69 3bfv s LEU 1122Ca -0.14 -1.50 -0.13 0.00 -0.22 0.00 0.00 54.13 52.14 3bfv s LEU 1122Cb -0.16 -2.05 0.20 0.00 0.50 0.00 0.00 46.19 44.68 3bfv s LEU 1122CO 0.04 -0.59 1.10 0.42 -1.32 0.00 0.00 176.35 176.00 3bfv s THR 1123N 1.48 1.99 0.38 3.68 -4.23 -1.26 -0.31 115.64 117.37 3bfv s THR 1123Ca 0.03 0.00 0.10 0.00 -1.18 0.00 0.00 61.69 60.64 3bfv s THR 1123Cb -0.24 -2.51 0.15 0.00 1.34 0.00 0.00 72.50 71.24 3bfv s THR 1123CO 0.03 0.00 1.90 0.77 -0.54 0.00 0.00 174.62 176.78 3bfv h SER 1124N -1.94 0.20 -3.83 3.99 4.64 -1.88 0.34 113.55 115.06 3bfv h SER 1124Ca -0.54 -0.04 0.03 0.00 -0.47 0.00 0.00 61.79 60.76 3bfv h SER 1124Cb 1.33 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.36 3bfv h SER 1124CO 0.57 0.39 -0.04 0.61 -0.87 0.00 0.00 176.83 177.49 3bfv n GLY 1125N -0.81 -2.15 3.68 -0.77 0.00 -1.26 -0.65 105.19 103.24 3bfv n GLY 1125Ca -0.01 -1.46 -0.38 0.00 0.00 0.00 0.00 46.02 44.17 3bfv n GLY 1125CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3bfv n PRO 1126N -1.04 1.21 -1.98 1.61 -0.02 -1.25 -4.83 135.00 128.71 3bfv n PRO 1126Ca 0.00 0.46 -0.43 0.00 -2.02 0.00 0.00 63.50 61.51 3bfv n PRO 1126Cb 0.05 -2.37 -0.03 0.00 -0.02 0.00 0.00 33.50 31.14 3bfv n PRO 1126CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3bfv s ILE 1127N -1.40 3.49 0.52 4.25 -1.09 -1.26 -4.71 121.20 121.00 3bfv s ILE 1127Ca 0.75 0.54 -0.13 0.00 -2.23 0.00 0.00 60.65 59.58 3bfv s ILE 1127Cb -0.42 -3.54 -0.06 0.00 -1.58 0.00 0.00 42.46 36.86 3bfv s ILE 1127CO 0.47 -0.26 0.94 -2.16 -1.23 0.00 0.00 174.94 172.70 3bfv s PRO 1128N 5.11 3.79 0.36 2.79 0.04 -1.26 -4.99 135.00 140.85 3bfv s PRO 1128Ca 0.79 0.76 0.09 0.00 0.04 0.00 0.00 61.00 62.67 3bfv s PRO 1128Cb -0.27 -2.18 0.68 0.00 0.04 0.00 0.00 34.50 32.77 3bfv s PRO 1128CO 0.32 -0.30 1.84 -1.00 0.04 0.00 0.00 177.00 177.90 3bfv h PRO 1129N 0.59 0.22 -2.43 0.56 0.13 -1.95 -3.40 132.00 125.72 3bfv h PRO 1129Ca -0.46 -0.07 -0.51 0.00 -0.87 0.00 0.00 66.00 64.09 3bfv h PRO 1129Cb 1.19 -0.02 -0.37 0.00 0.13 0.00 0.00 31.00 31.93 3bfv h PRO 1129CO 0.62 0.45 -0.79 1.21 -0.23 0.00 0.00 178.00 179.26 3bfv s ASN 1130N -6.88 2.54 0.35 1.44 2.47 -1.26 -5.01 114.94 108.58 3bfv s ASN 1130Ca -0.05 -1.83 0.05 0.00 0.42 0.00 0.00 52.86 51.45 3bfv s ASN 1130Cb 0.15 -0.11 0.71 0.00 -1.45 0.00 0.00 41.25 40.55 3bfv s ASN 1130CO 0.74 -0.32 1.94 -0.65 -3.72 0.00 0.00 177.10 175.10 3bfv h PRO 1131N 7.29 0.78 -0.56 0.43 0.11 -1.92 -2.66 132.00 135.47 3bfv h PRO 1131Ca 0.01 -0.05 0.08 0.00 0.11 0.00 0.00 66.00 66.15 3bfv h PRO 1131Cb 1.00 -0.18 -0.07 0.00 0.11 0.00 0.00 31.00 31.87 3bfv h PRO 1131CO 0.27 0.52 0.20 0.77 -0.21 0.00 0.00 178.00 179.55 3bfv h SER 1132N 0.80 0.20 -0.99 -2.05 0.02 -1.98 -1.34 113.55 108.20 3bfv h SER 1132Ca 0.34 0.07 0.02 0.00 -0.84 0.00 0.00 61.79 61.38 3bfv h SER 1132Cb 0.28 0.05 -0.05 0.00 0.14 0.00 0.00 62.40 62.82 3bfv h SER 1132CO -0.12 0.13 0.65 -0.08 -1.14 0.00 0.00 176.83 176.28 3bfv h GLU 1133N 0.38 1.26 -0.31 3.45 4.81 -1.89 -1.51 114.58 120.77 3bfv h GLU 1133Ca 0.27 -0.08 -0.08 0.00 -0.13 0.00 0.00 59.36 59.35 3bfv h GLU 1133Cb 0.32 -0.28 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 3bfv h GLU 1133CO -0.28 0.83 -0.12 -0.07 -0.73 0.00 0.00 179.01 178.64 3bfv h LEU 1134N 1.30 0.64 -0.82 1.64 3.38 -1.40 -2.43 115.31 117.62 3bfv h LEU 1134Ca 0.38 -0.39 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 3bfv h LEU 1134Cb -0.07 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 3bfv h LEU 1134CO -0.10 0.89 -0.03 0.40 0.09 0.00 0.00 178.44 179.68 3bfv h ILE 1135N 0.38 1.25 -0.01 1.22 2.04 -0.86 -2.61 117.51 118.93 3bfv h ILE 1135Ca 0.07 -1.09 0.00 0.00 1.00 0.00 0.00 64.86 64.84 3bfv h ILE 1135Cb 0.64 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 3bfv h ILE 1135CO 0.04 0.38 -0.05 0.35 0.00 0.00 0.00 178.15 178.88 3bfv n THR 1136N -4.19 0.00 -1.80 -0.27 -2.24 -0.61 -4.61 114.28 100.56 3bfv n THR 1136Ca 0.02 -0.14 -0.33 0.00 -2.27 0.00 0.00 64.05 61.33 3bfv n THR 1136Cb 0.33 0.12 0.04 0.00 -2.10 0.00 0.00 70.33 68.73 3bfv n THR 1136CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3bfv s SER 1137N -2.15 5.20 0.34 3.42 1.04 -0.92 -4.94 113.70 115.71 3bfv s SER 1137Ca 0.37 1.98 0.03 0.00 0.48 0.00 0.00 55.95 58.81 3bfv s SER 1137Cb 0.21 -2.55 0.64 0.00 0.10 0.00 0.00 66.02 64.42 3bfv s SER 1137CO 0.39 -1.57 1.97 -0.09 0.98 0.00 0.00 173.24 174.92 3bfv h ARG 1138N 0.10 0.85 -0.69 4.02 9.65 -1.91 -2.53 114.38 123.87 3bfv h ARG 1138Ca -0.47 -0.05 0.13 0.00 -1.10 0.00 0.00 59.98 58.49 3bfv h ARG 1138Cb 1.24 -0.19 -0.09 0.00 -1.39 0.00 0.00 29.97 29.54 3bfv h ARG 1138CO 0.55 0.56 0.22 0.00 2.80 0.00 0.00 179.97 184.10 3bfv h ALA 1139N 1.57 0.91 -0.10 2.80 0.00 -1.89 -1.03 119.26 121.53 3bfv h ALA 1139Ca 0.30 0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.28 3bfv h ALA 1139Cb 0.11 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3bfv h ALA 1139CO -0.09 -0.26 -0.16 0.35 0.00 0.00 0.00 179.25 179.09 3bfv h PHE 1140N 0.35 0.35 -0.84 0.00 3.57 -1.64 -0.56 116.94 118.17 3bfv h PHE 1140Ca 0.38 -0.12 0.13 0.00 3.53 0.00 0.00 57.97 61.89 3bfv h PHE 1140Cb 0.57 -0.07 -0.09 0.00 2.79 0.00 0.00 35.95 39.16 3bfv h PHE 1140CO -0.21 0.76 0.45 0.00 -2.23 0.00 0.00 178.31 177.08 3bfv h ALA 1141N 0.53 1.25 -0.30 2.41 0.00 -1.33 0.28 119.26 122.09 3bfv h ALA 1141Ca 0.01 0.07 -0.18 0.00 0.00 0.00 0.00 54.91 54.80 3bfv h ALA 1141Cb 0.73 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 3bfv h ALA 1141CO 0.04 -0.03 -0.52 -0.91 0.00 0.00 0.00 179.25 177.83 3bfv h ASN 1142N 0.68 0.96 -0.26 0.00 2.35 -1.14 -2.39 115.58 115.79 3bfv h ASN 1142Ca 0.44 -0.50 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 3bfv h ASN 1142Cb 0.56 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 3bfv h ASN 1142CO -0.33 1.30 0.16 0.25 -1.65 0.00 0.00 177.43 177.16 3bfv h LEU 1143N 0.68 0.30 -0.75 1.61 5.85 -0.26 -2.32 115.31 120.41 3bfv h LEU 1143Ca 0.02 -0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.76 3bfv h LEU 1143Cb 1.12 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 42.02 3bfv h LEU 1143CO 0.12 0.24 0.45 0.22 -0.34 0.00 0.00 178.44 179.13 3bfv h TYR 1144N 0.33 0.84 -0.73 1.25 3.20 -0.35 0.71 116.97 122.22 3bfv h TYR 1144Ca 0.09 0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.01 3bfv h TYR 1144Cb -0.01 -0.27 -0.04 0.00 1.54 0.00 0.00 36.73 37.95 3bfv h TYR 1144CO -0.05 0.44 0.46 -0.44 -1.64 0.00 0.00 178.16 176.93 3bfv h ASP 1145N 0.85 0.77 -0.71 -2.11 3.32 -1.26 -1.94 116.42 115.35 3bfv h ASP 1145Ca 0.32 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.33 3bfv h ASP 1145Cb 0.12 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 3bfv h ASP 1145CO -0.15 0.54 0.28 0.74 -1.72 0.00 0.00 179.24 178.93 3bfv h THR 1146N 0.92 1.25 -0.50 0.35 2.02 -0.61 -2.80 112.91 113.52 3bfv h THR 1146Ca 0.29 -0.77 -0.06 0.00 0.77 0.00 0.00 66.41 66.64 3bfv h THR 1146Cb -0.01 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 66.81 3bfv h THR 1146CO -0.10 0.31 0.09 -0.07 0.37 0.00 0.00 175.52 176.12 3bfv h LEU 1147N 1.01 0.79 -1.54 2.58 3.38 -0.57 -1.67 115.31 119.29 3bfv h LEU 1147Ca 0.24 -0.25 0.07 0.00 0.09 0.00 0.00 57.88 58.02 3bfv h LEU 1147Cb 0.21 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 3bfv h LEU 1147CO -0.02 0.84 0.40 -0.07 0.09 0.00 0.00 178.44 179.68 3bfv h LEU 1148N 0.71 0.49 0.00 1.67 3.38 -1.24 -0.70 115.31 119.62 3bfv h LEU 1148Ca 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3bfv h LEU 1148Cb 0.38 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 3bfv h LEU 1148CO 0.01 0.32 -0.28 0.24 0.09 0.00 0.00 178.44 178.81 3bfv h MET 1149N 0.56 0.00 0.00 1.13 2.86 -1.19 -3.35 114.93 114.94 3bfv h MET 1149Ca 0.26 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.90 3bfv h MET 1149Cb 0.31 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.97 3bfv h MET 1149CO -0.08 0.03 -1.86 0.09 1.06 0.00 0.00 176.91 176.15 3bfv n ASN 1150N -3.01 0.14 -4.18 1.22 3.02 -0.67 -4.98 115.26 106.81 3bfv n ASN 1150Ca 0.03 -0.14 -0.24 0.00 -0.03 0.00 0.00 54.58 54.20 3bfv n ASN 1150Cb 0.55 1.86 -0.15 0.00 -0.61 0.00 0.00 39.78 41.44 3bfv n ASN 1150CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3bfv s TYR 1151N -3.45 1.55 0.35 3.10 2.02 -0.34 -5.01 117.35 115.57 3bfv s TYR 1151Ca -0.06 -0.32 0.09 0.00 -0.37 0.00 0.00 57.07 56.41 3bfv s TYR 1151Cb 0.14 -0.96 0.64 0.00 -0.40 0.00 0.00 41.96 41.38 3bfv s TYR 1151CO 0.90 0.02 1.81 -0.91 -1.57 0.00 0.00 175.55 175.80 3bfv h ASN 1152N 5.34 0.17 -3.61 2.29 -0.26 -1.32 -3.44 115.58 114.74 3bfv h ASN 1152Ca -0.38 -0.05 -0.13 0.00 -0.56 0.00 0.00 56.30 55.17 3bfv h ASN 1152Cb 1.16 -0.04 -0.25 0.00 -1.06 0.00 0.00 38.32 38.12 3bfv h ASN 1152CO 0.46 0.48 -0.30 0.12 -1.06 0.00 0.00 177.43 177.13 3bfv s PHE 1153N -4.34 -0.47 -0.09 1.19 5.36 -1.02 -4.80 117.98 113.80 3bfv s PHE 1153Ca -0.04 1.09 0.03 0.00 -0.96 0.00 0.00 56.93 57.04 3bfv s PHE 1153Cb 0.14 0.18 0.01 0.00 -0.34 0.00 0.00 43.02 43.01 3bfv s PHE 1153CO 0.75 -0.25 -0.18 0.08 -1.46 0.00 0.00 175.22 174.15 3bfv s VAL 1154N 0.68 1.65 -0.17 3.12 1.01 -0.89 -1.48 120.40 124.33 3bfv s VAL 1154Ca -0.04 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.17 3bfv s VAL 1154Cb -0.05 -1.46 0.00 0.00 0.00 0.00 0.00 36.38 34.87 3bfv s VAL 1154CO -0.05 0.47 -0.16 -0.63 0.00 0.00 0.00 175.10 174.74 3bfv s ILE 1155N 0.60 2.53 -0.30 2.22 1.01 0.11 -1.43 121.20 125.95 3bfv s ILE 1155Ca -0.14 -0.80 -0.07 0.00 0.00 0.00 0.00 60.65 59.63 3bfv s ILE 1155Cb -0.17 -2.07 0.01 0.00 0.01 0.00 0.00 42.46 40.24 3bfv s ILE 1155CO 0.05 0.51 0.09 -0.63 0.00 0.00 0.00 174.94 174.96 3bfv s ILE 1156N 1.01 4.02 0.37 2.92 1.01 -0.11 -0.11 121.20 130.31 3bfv s ILE 1156Ca -0.02 -0.70 -0.25 0.00 0.00 0.00 0.00 60.65 59.69 3bfv s ILE 1156Cb -0.15 -3.08 -0.09 0.00 0.01 0.00 0.00 42.46 39.15 3bfv s ILE 1156CO -0.04 0.06 1.01 -0.62 0.00 0.00 0.00 174.94 175.35 3bfv s ASP 1157N 1.50 7.00 0.15 3.58 2.15 -0.21 -1.40 116.67 129.44 3bfv s ASP 1157Ca 0.02 1.97 -0.01 0.00 0.43 0.00 0.00 52.55 54.97 3bfv s ASP 1157Cb -0.17 -2.58 -0.04 0.00 -0.30 0.00 0.00 42.92 39.82 3bfv s ASP 1157CO 0.03 -0.32 0.07 0.42 -0.17 0.00 0.00 175.17 175.20 3bfv s THR 1158N -1.63 0.14 0.85 1.71 -4.23 -1.17 -0.86 115.64 110.44 3bfv s THR 1158Ca 0.54 -1.94 -0.12 0.00 -1.18 0.00 0.00 61.69 59.00 3bfv s THR 1158Cb -0.21 -2.16 0.10 0.00 1.34 0.00 0.00 72.50 71.57 3bfv s THR 1158CO 0.27 -0.36 1.12 -2.84 -0.54 0.00 0.00 174.62 172.26 3bfv s PRO 1159N -4.06 1.68 0.59 3.99 0.02 -1.26 -4.71 135.00 131.25 3bfv s PRO 1159Ca 0.27 0.44 -0.18 0.00 0.02 0.00 0.00 61.00 61.55 3bfv s PRO 1159Cb 0.07 -1.89 -0.04 0.00 0.02 0.00 0.00 34.50 32.67 3bfv s PRO 1159CO 0.04 -1.85 1.16 -1.25 -0.33 0.00 0.00 177.00 174.76 3bfv s PRO 1160N -5.25 3.06 0.12 5.54 0.04 -1.26 -4.50 135.00 132.75 3bfv s PRO 1160Ca 0.62 1.65 -0.13 0.00 0.04 0.00 0.00 61.00 63.19 3bfv s PRO 1160Cb -0.14 -1.96 -0.08 0.00 0.04 0.00 0.00 34.50 32.36 3bfv s PRO 1160CO 0.53 -1.09 1.42 0.28 0.04 0.00 0.00 177.00 178.18 3bfv h VAL 1161N 0.81 1.29 0.00 -0.36 2.07 -0.98 -3.20 116.25 115.88 3bfv h VAL 1161Ca -0.49 -1.60 0.00 0.00 0.82 0.00 0.00 66.70 65.42 3bfv h VAL 1161Cb 1.27 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 32.63 3bfv h VAL 1161CO 0.55 0.52 0.00 0.78 0.02 0.00 0.00 177.57 179.44 3bfv h ASN 1162N 0.59 0.00 0.00 0.57 2.35 -1.70 -3.28 115.58 114.11 3bfv h ASN 1162Ca 0.03 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.52 3bfv h ASN 1162Cb 1.01 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 39.34 3bfv h ASN 1162CO 0.10 0.00 -1.99 0.35 -1.65 0.00 0.00 177.43 174.23 3bfv n THR 1163N -2.47 1.00 -4.07 2.81 -2.24 -1.24 -5.04 114.28 103.02 3bfv n THR 1163Ca 0.01 -0.47 -0.10 0.00 -2.27 0.00 0.00 64.05 61.22 3bfv n THR 1163Cb 0.23 -0.94 -0.11 0.00 -2.10 0.00 0.00 70.33 67.41 3bfv n THR 1163CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3bfv s VAL 1164N -2.35 0.41 -2.10 2.28 -7.23 -1.21 -5.05 120.40 105.15 3bfv s VAL 1164Ca -0.18 -1.36 0.15 0.00 -1.81 0.00 0.00 61.98 58.78 3bfv s VAL 1164Cb 0.05 -0.93 0.38 0.00 0.56 0.00 0.00 36.38 36.45 3bfv s VAL 1164CO 0.47 -0.63 1.37 0.35 -0.31 0.00 0.00 175.10 176.35 3bfv n THR 1165N 0.92 0.41 -0.17 5.32 -2.24 -1.26 -4.41 114.28 112.85 3bfv n THR 1165Ca -0.19 -0.46 -0.01 0.00 -2.27 0.00 0.00 64.05 61.11 3bfv n THR 1165Cb 0.57 0.31 0.08 0.00 -2.10 0.00 0.00 70.33 69.19 3bfv n THR 1165CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3bfv h ASP 1166N 2.28 0.03 -0.58 3.42 5.19 -1.91 -1.45 116.42 123.40 3bfv h ASP 1166Ca 0.00 0.09 -0.06 0.00 -0.62 0.00 0.00 57.03 56.45 3bfv h ASP 1166Cb 0.51 0.12 -0.02 0.00 0.18 0.00 0.00 39.33 40.12 3bfv h ASP 1166CO 0.00 0.04 0.15 0.00 -3.12 0.00 0.00 179.24 176.31 3bfv h ALA 1167N 1.41 0.77 -0.67 3.45 0.00 -1.79 -1.35 119.26 121.08 3bfv h ALA 1167Ca 0.27 -0.22 0.09 0.00 0.00 0.00 0.00 54.91 55.04 3bfv h ALA 1167Cb 0.36 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 17.86 3bfv h ALA 1167CO -0.34 0.47 0.32 1.96 0.00 0.00 0.00 179.25 181.66 3bfv h GLN 1168N 0.84 0.54 -0.16 0.00 4.20 -1.70 0.06 115.11 118.89 3bfv h GLN 1168Ca 0.18 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.85 3bfv h GLN 1168Cb 0.34 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 3bfv h GLN 1168CO 0.00 0.36 0.04 -0.07 -0.67 0.00 0.00 178.83 178.49 3bfv h LEU 1169N 0.56 0.23 -1.20 1.46 3.38 -0.89 -2.83 115.31 116.03 3bfv h LEU 1169Ca 0.33 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 58.11 3bfv h LEU 1169Cb 0.34 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 3bfv h LEU 1169CO -0.26 0.40 0.55 -0.26 0.09 0.00 0.00 178.44 178.96 3bfv h PHE 1170N 0.06 1.01 0.00 1.13 0.04 -1.03 -2.58 116.94 115.56 3bfv h PHE 1170Ca 0.05 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.84 3bfv h PHE 1170Cb 0.25 -0.34 -0.00 0.00 2.20 0.00 0.00 35.95 38.06 3bfv h PHE 1170CO 0.01 0.59 -0.04 0.77 -0.60 0.00 0.00 178.31 179.03 3bfv h SER 1171N 1.04 0.00 -0.21 2.17 0.02 -0.75 -0.96 113.55 114.86 3bfv h SER 1171Ca 0.33 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.28 3bfv h SER 1171Cb 0.03 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 3bfv h SER 1171CO -0.10 0.04 0.13 0.11 -1.14 0.00 0.00 176.83 175.87 3bfv h LYS 1172N 0.00 0.30 0.00 3.45 1.79 -1.23 -0.80 116.57 120.09 3bfv h LYS 1172Ca -0.00 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.44 3bfv h LYS 1172Cb 0.07 -0.07 -0.00 0.00 -1.58 0.00 0.00 32.23 30.65 3bfv h LYS 1172CO 0.01 0.22 -0.04 0.74 -1.08 0.00 0.00 179.45 179.29 3bfv h PHE 1173N 0.31 0.00 -0.22 -1.35 0.04 -1.28 -3.38 116.94 111.06 3bfv h PHE 1173Ca 0.08 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.69 3bfv h PHE 1173Cb -0.01 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 3bfv h PHE 1173CO 0.00 0.69 -0.51 1.79 -0.60 0.00 0.00 178.31 179.68 3bfv h THR 1174N -1.00 1.31 0.00 -1.55 1.35 -1.46 -3.47 112.91 108.09 3bfv h THR 1174Ca -0.01 -1.73 0.00 0.00 -0.55 0.00 0.00 66.41 64.12 3bfv h THR 1174Cb 0.69 1.69 0.00 0.00 -1.73 0.00 0.00 68.15 68.80 3bfv h THR 1174CO -0.01 0.55 0.00 0.61 -0.25 0.00 0.00 175.52 176.42 3bfv n GLY 1175N 0.21 0.28 2.94 5.82 0.00 -0.31 -4.77 105.19 109.36 3bfv n GLY 1175Ca -0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 3bfv n GLY 1175CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3bfv s ASN 1176N -2.08 -0.13 -0.03 1.61 0.01 -1.26 -0.86 114.94 112.20 3bfv s ASN 1176Ca 0.00 0.32 0.02 0.00 -0.71 0.00 0.00 52.86 52.49 3bfv s ASN 1176Cb 0.00 0.22 0.00 0.00 0.41 0.00 0.00 41.25 41.88 3bfv s ASN 1176CO 0.00 -0.14 -0.08 -0.69 -1.51 0.00 0.00 177.10 174.67 3bfv s VAL 1177N 1.10 0.74 -0.19 1.60 1.01 0.32 -1.53 120.40 123.45 3bfv s VAL 1177Ca -0.09 -0.33 -0.05 0.00 0.00 0.00 0.00 61.98 61.51 3bfv s VAL 1177Cb -0.11 -0.67 -0.02 0.00 0.00 0.00 0.00 36.38 35.58 3bfv s VAL 1177CO -0.06 0.24 -0.01 -0.69 0.00 0.00 0.00 175.10 174.58 3bfv s VAL 1178N 0.24 3.94 -0.28 2.92 1.01 0.46 -0.84 120.40 127.85 3bfv s VAL 1178Ca -0.04 -0.32 -0.07 0.00 0.00 0.00 0.00 61.98 61.55 3bfv s VAL 1178Cb -0.09 -2.77 -0.00 0.00 0.00 0.00 0.00 36.38 33.52 3bfv s VAL 1178CO 0.00 0.44 0.07 -0.47 0.00 0.00 0.00 175.10 175.15 3bfv s TYR 1179N 0.91 3.12 -0.12 5.22 5.04 -0.62 -1.66 117.35 129.23 3bfv s TYR 1179Ca 0.01 -0.82 -0.17 0.00 -2.44 0.00 0.00 57.07 53.65 3bfv s TYR 1179Cb -0.14 -2.25 -0.04 0.00 0.35 0.00 0.00 41.96 39.88 3bfv s TYR 1179CO 0.02 -0.52 0.42 0.08 -1.34 0.00 0.00 175.55 174.21 3bfv s VAL 1180N 1.53 5.21 -0.17 3.14 1.01 0.58 -1.16 120.40 130.55 3bfv s VAL 1180Ca 0.04 0.82 0.01 0.00 0.00 0.00 0.00 61.98 62.85 3bfv s VAL 1180Cb -0.16 -3.75 0.02 0.00 0.00 0.00 0.00 36.38 32.49 3bfv s VAL 1180CO 0.03 0.36 -0.16 -0.69 0.00 0.00 0.00 175.10 174.64 3bfv s VAL 1181N 0.47 1.77 -0.68 2.92 1.01 -0.73 -4.40 120.40 120.76 3bfv s VAL 1181Ca 0.23 -0.80 -0.27 0.00 0.00 0.00 0.00 61.98 61.14 3bfv s VAL 1181Cb -0.15 -1.66 0.00 0.00 0.00 0.00 0.00 36.38 34.58 3bfv s VAL 1181CO 0.08 0.45 1.58 0.21 0.00 0.00 0.00 175.10 177.43 3bfv s ASN 1182N 1.40 5.70 0.59 3.32 2.47 -1.26 -1.02 114.94 126.14 3bfv s ASN 1182Ca 0.04 -0.08 0.32 0.00 0.42 0.00 0.00 52.86 53.57 3bfv s ASN 1182Cb -0.13 -2.54 1.88 0.00 -1.45 0.00 0.00 41.25 39.00 3bfv s ASN 1182CO -0.11 -2.12 2.25 0.77 -3.72 0.00 0.00 177.10 174.17 3bfv h SER 1183N 12.52 0.00 0.81 -4.21 4.64 -1.42 -2.46 113.55 123.43 3bfv h SER 1183Ca -0.26 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.88 3bfv h SER 1183Cb 1.10 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.17 3bfv h SER 1183CO 1.25 0.02 -0.86 -0.33 -0.87 0.00 0.00 176.83 176.04 3bfv h GLU 1184N 0.00 0.03 -1.51 4.77 5.08 -1.76 -3.42 114.58 117.77 3bfv h GLU 1184Ca -0.00 -0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.20 3bfv h GLU 1184Cb 0.06 0.01 -0.26 0.00 0.50 0.00 0.00 28.75 29.05 3bfv h GLU 1184CO 0.00 0.86 -0.49 1.21 -1.00 0.00 0.00 179.01 179.59 3bfv s ASN 1185N -6.79 -0.16 0.15 1.42 2.47 -0.92 -5.10 114.94 106.00 3bfv s ASN 1185Ca -0.00 -0.22 -0.23 0.00 0.42 0.00 0.00 52.86 52.82 3bfv s ASN 1185Cb 0.11 1.36 0.07 0.00 -1.45 0.00 0.00 41.25 41.34 3bfv s ASN 1185CO 0.80 -0.34 0.61 0.54 -3.72 0.00 0.00 177.10 174.99 3bfv s ASN 1186N 2.62 -0.57 -0.18 -4.21 2.20 -1.25 -4.67 114.94 108.89 3bfv s ASN 1186Ca 0.10 0.03 -0.02 0.00 -0.94 0.00 0.00 52.86 52.02 3bfv s ASN 1186Cb -0.12 0.59 -0.01 0.00 -2.00 0.00 0.00 41.25 39.71 3bfv s ASN 1186CO -0.29 -0.95 -0.08 0.21 -2.94 0.00 0.00 177.10 173.05 3bfv s ASN 1187N -2.69 4.21 0.30 3.54 3.84 -1.26 -3.54 114.94 119.33 3bfv s ASN 1187Ca 0.01 -0.34 0.04 0.00 0.21 0.00 0.00 52.86 52.77 3bfv s ASN 1187Cb -0.01 -1.69 0.65 0.00 -0.55 0.00 0.00 41.25 39.66 3bfv s ASN 1187CO -0.12 0.07 1.82 0.11 -2.79 0.00 0.00 177.10 176.19 3bfv h LYS 1188N 7.40 0.85 -0.40 0.43 1.57 -0.55 -0.46 116.57 125.41 3bfv h LYS 1188Ca -0.35 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.23 3bfv h LYS 1188Cb 1.18 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.29 3bfv h LYS 1188CO 0.59 0.56 -0.35 -0.44 -0.57 0.00 0.00 179.45 179.25 3bfv h ASP 1189N 0.88 0.97 -0.47 0.86 3.32 -1.96 0.10 116.42 120.13 3bfv h ASP 1189Ca 0.52 -0.43 -0.05 0.00 0.02 0.00 0.00 57.03 57.10 3bfv h ASP 1189Cb 0.67 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 3bfv h ASP 1189CO -0.30 1.21 0.10 -0.33 -1.72 0.00 0.00 179.24 178.21 3bfv h GLU 1190N 0.76 0.75 -0.50 3.56 5.08 -1.76 -1.20 114.58 121.27 3bfv h GLU 1190Ca 0.07 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.21 3bfv h GLU 1190Cb 0.93 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 3bfv h GLU 1190CO 0.09 0.75 0.17 0.28 -1.00 0.00 0.00 179.01 179.30 3bfv h VAL 1191N 0.63 1.23 -0.62 3.13 2.07 -0.97 -2.15 116.25 119.56 3bfv h VAL 1191Ca 0.15 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 3bfv h VAL 1191Cb 0.34 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 3bfv h VAL 1191CO 0.00 0.27 0.34 0.50 0.02 0.00 0.00 177.57 178.71 3bfv h LYS 1192N 0.68 0.87 -0.61 1.57 1.63 -0.71 -2.34 116.57 117.66 3bfv h LYS 1192Ca 0.16 -0.10 -0.00 0.00 -0.85 0.00 0.00 60.65 59.86 3bfv h LYS 1192Cb 0.26 -0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 31.69 3bfv h LYS 1192CO -0.01 0.66 0.38 -0.22 -3.45 0.00 0.00 179.45 176.81 3bfv h LYS 1193N 0.85 0.82 -0.60 1.90 1.63 -1.00 -1.72 116.57 118.45 3bfv h LYS 1193Ca 0.22 -0.07 0.02 0.00 -0.85 0.00 0.00 60.65 59.97 3bfv h LYS 1193Cb 0.04 -0.18 -0.04 0.00 -0.60 0.00 0.00 32.23 31.46 3bfv h LYS 1193CO -0.04 0.58 0.38 0.78 -3.45 0.00 0.00 179.45 177.70 3bfv h GLY 1194N 0.83 0.86 0.60 5.01 0.00 -1.21 -1.08 103.07 108.06 3bfv h GLY 1194Ca 0.22 -0.29 0.05 0.00 0.00 0.00 0.00 47.33 47.31 3bfv h GLY 1194CO -0.04 0.25 0.02 1.70 0.00 0.00 0.00 176.54 178.47 3bfv h LYS 1195N 0.75 0.11 -0.84 4.80 3.64 -1.02 -1.35 116.57 122.65 3bfv h LYS 1195Ca 0.24 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.58 3bfv h LYS 1195Cb -0.01 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.75 3bfv h LYS 1195CO -0.09 0.07 0.40 0.93 -2.27 0.00 0.00 179.45 178.49 3bfv h GLU 1196N 0.11 1.22 -0.62 1.90 5.08 -0.99 -0.42 114.58 120.87 3bfv h GLU 1196Ca 0.13 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 3bfv h GLU 1196Cb 0.16 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 3bfv h GLU 1196CO -0.21 0.94 0.32 -0.07 -1.00 0.00 0.00 179.01 178.98 3bfv h LEU 1197N 1.20 0.79 -0.24 1.33 3.38 -0.89 -1.11 115.31 119.78 3bfv h LEU 1197Ca 0.29 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 3bfv h LEU 1197Cb 0.12 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3bfv h LEU 1197CO -0.04 0.68 0.10 0.40 0.09 0.00 0.00 178.44 179.67 3bfv h ILE 1198N 0.84 1.16 -0.11 1.22 2.04 -0.82 -3.07 117.51 118.77 3bfv h ILE 1198Ca 0.21 -0.49 -0.07 0.00 1.00 0.00 0.00 64.86 65.52 3bfv h ILE 1198Cb 0.08 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 3bfv h ILE 1198CO -0.03 0.16 -0.23 -0.33 0.00 0.00 0.00 178.15 177.72 3bfv h GLU 1199N 0.23 0.19 0.00 2.37 5.08 -0.97 -2.16 114.58 119.33 3bfv h GLU 1199Ca 0.08 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3bfv h GLU 1199Cb 0.16 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3bfv h GLU 1199CO -0.01 0.42 0.00 0.00 -1.00 0.00 0.00 179.01 178.42 3bfv n ALA 1200N -2.48 1.37 0.56 3.43 0.00 -0.43 -1.60 120.51 121.35 3bfv n ALA 1200Ca -0.01 0.11 0.13 0.00 0.00 0.00 0.00 53.44 53.67 3bfv n ALA 1200Cb 0.33 -1.32 0.42 0.00 0.00 0.00 0.00 19.45 18.88 3bfv n ALA 1200CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3bfv h THR 1201N 0.00 0.00 0.00 0.00 1.35 -1.39 -3.47 112.91 109.40 3bfv h THR 1201Ca 0.00 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 3bfv h THR 1201Cb 0.19 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.00 3bfv h THR 1201CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3bfv n GLY 1202N 1.01 1.30 3.78 5.82 0.00 -0.63 -4.79 105.19 111.68 3bfv n GLY 1202Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 3bfv n GLY 1202CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bfv s ALA 1203N -2.63 2.61 -0.14 4.61 0.00 -1.26 -5.00 121.76 119.94 3bfv s ALA 1203Ca 0.00 0.64 -0.28 0.00 0.00 0.00 0.00 51.96 52.33 3bfv s ALA 1203Cb 0.00 -3.32 -0.01 0.00 0.00 0.00 0.00 23.12 19.79 3bfv s ALA 1203CO 0.00 -0.97 0.93 0.21 0.00 0.00 0.00 175.76 175.92 3bfv s LYS 1204N -3.73 4.36 -0.76 0.00 2.20 -0.04 -4.66 119.74 117.11 3bfv s LYS 1204Ca 0.69 1.22 -0.23 0.00 -0.36 0.00 0.00 55.97 57.29 3bfv s LYS 1204Cb -0.21 -3.56 0.07 0.00 -1.51 0.00 0.00 37.83 32.62 3bfv s LYS 1204CO 0.34 -0.34 1.10 -1.17 -0.36 0.00 0.00 175.35 174.92 3bfv s LEU 1205N 2.14 4.21 0.24 5.43 0.20 -1.26 -0.52 118.68 129.12 3bfv s LEU 1205Ca 0.43 -1.13 -0.04 0.00 0.69 0.00 0.00 54.13 54.08 3bfv s LEU 1205Cb -0.17 -2.45 0.41 0.00 -0.43 0.00 0.00 46.19 43.54 3bfv s LEU 1205CO 0.14 -1.45 1.80 -0.07 -0.29 0.00 0.00 176.35 176.48 3bfv h LEU 1206N 11.62 0.61 0.00 -0.68 3.38 -1.37 -3.48 115.31 125.39 3bfv h LEU 1206Ca -0.16 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3bfv h LEU 1206Cb 1.05 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.75 3bfv h LEU 1206CO 1.21 0.33 0.00 0.61 0.09 0.00 0.00 178.44 180.68 3bfv n GLY 1207N -1.32 -1.57 3.63 0.83 0.00 -1.25 -4.67 105.19 100.83 3bfv n GLY 1207Ca 0.14 -1.18 -0.34 0.00 0.00 0.00 0.00 46.02 44.64 3bfv n GLY 1207CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bfv s VAL 1208N -2.84 3.95 -0.33 1.61 1.01 -0.14 -1.59 120.40 122.06 3bfv s VAL 1208Ca 0.00 -0.42 -0.09 0.00 0.00 0.00 0.00 61.98 61.47 3bfv s VAL 1208Cb 0.00 -2.65 0.01 0.00 0.00 0.00 0.00 36.38 33.75 3bfv s VAL 1208CO 0.00 0.58 0.15 -0.69 0.00 0.00 0.00 175.10 175.13 3bfv s VAL 1209N -0.86 4.36 0.12 2.92 1.01 -0.31 -0.37 120.40 127.27 3bfv s VAL 1209Ca 0.13 -0.69 -0.30 0.00 0.00 0.00 0.00 61.98 61.12 3bfv s VAL 1209Cb -0.11 -3.31 -0.07 0.00 0.00 0.00 0.00 36.38 32.89 3bfv s VAL 1209CO 0.03 -0.04 1.13 -0.76 0.00 0.00 0.00 175.10 175.45 3bfv s LEU 1210N 1.55 4.44 0.20 3.92 1.43 -0.65 -1.78 118.68 127.78 3bfv s LEU 1210Ca 0.03 2.04 0.09 0.00 -1.03 0.00 0.00 54.13 55.25 3bfv s LEU 1210Cb -0.18 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.40 3bfv s LEU 1210CO 0.05 -0.31 -0.18 0.21 0.23 0.00 0.00 176.35 176.35 3bfv s ASN 1211N 0.38 2.90 -1.48 2.29 2.47 -0.19 -0.34 114.94 120.97 3bfv s ASN 1211Ca 0.53 -0.94 -0.07 0.00 0.42 0.00 0.00 52.86 52.80 3bfv s ASN 1211Cb -0.29 -0.19 0.03 0.00 -1.45 0.00 0.00 41.25 39.35 3bfv s ASN 1211CO 0.32 -0.04 0.67 0.54 -3.72 0.00 0.00 177.10 174.87 3bfv n ARG 1212N -0.07 -4.94 -2.25 0.43 1.74 -0.46 -1.33 116.66 109.78 3bfv n ARG 1212Ca -0.10 0.79 -0.37 0.00 -0.77 0.00 0.00 57.85 57.39 3bfv n ARG 1212Cb 0.58 -5.64 -0.01 0.00 -1.02 0.00 0.00 32.46 26.37 3bfv n ARG 1212CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 3bfv s MET 1213N -5.90 3.79 0.20 5.56 -1.94 -0.69 -4.16 119.30 116.17 3bfv s MET 1213Ca 0.38 1.80 -0.10 0.00 -1.71 0.00 0.00 55.69 56.06 3bfv s MET 1213Cb -0.18 -2.45 0.14 0.00 2.01 0.00 0.00 34.83 34.35 3bfv s MET 1213CO 0.47 -0.53 1.80 -1.35 -0.01 0.00 0.00 175.02 175.40 3bfv h PRO 1214N 2.13 1.05 0.00 2.03 0.11 -1.92 -0.51 132.00 134.89 3bfv h PRO 1214Ca -0.49 -0.15 0.00 0.00 0.11 0.00 0.00 66.00 65.47 3bfv h PRO 1214Cb 1.25 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3bfv h PRO 1214CO 0.60 0.81 0.00 1.17 -0.21 0.00 0.00 178.00 180.38