#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jci s SER 106 N 0.00 6.97 -0.03 7.28 0.15 -1.25 -4.58 113.70 122.24 2jci s SER 106 Ca 0.00 2.47 0.02 0.00 0.70 0.00 0.00 55.95 59.14 2jci s SER 106 Cb 0.00 -2.64 0.01 0.00 -1.71 0.00 0.00 66.02 61.68 2jci s SER 106 CO 0.00 -0.37 -0.08 -1.61 1.20 0.00 0.00 173.24 172.38 2jci s GLU 107 N -1.69 0.92 -0.21 5.44 2.02 -0.58 -0.26 118.70 124.34 2jci s GLU 107 Ca 0.48 -0.26 -0.08 0.00 0.02 0.00 0.00 54.97 55.13 2jci s GLU 107 Cb -0.35 -0.86 -0.04 0.00 0.10 0.00 0.00 34.13 32.97 2jci s GLU 107 CO 0.46 0.07 0.07 0.42 0.02 0.00 0.00 175.26 176.31 2jci s ILE 108 N 0.32 4.66 0.18 -1.63 1.01 -0.22 -1.26 121.20 124.26 2jci s ILE 108 Ca -0.05 -0.07 0.10 0.00 0.00 0.00 0.00 60.65 60.63 2jci s ILE 108 Cb -0.09 -3.13 -0.04 0.00 0.01 0.00 0.00 42.46 39.20 2jci s ILE 108 CO 0.01 0.41 -0.22 0.42 0.00 0.00 0.00 174.94 175.56 2jci s THR 109 N 0.86 2.12 0.87 2.92 -4.23 -0.74 0.14 115.64 117.59 2jci s THR 109 Ca 0.04 -1.97 -0.11 0.00 -1.18 0.00 0.00 61.69 58.46 2jci s THR 109 Cb -0.14 -1.99 0.12 0.00 1.34 0.00 0.00 72.50 71.83 2jci s THR 109 CO 0.02 -0.19 1.09 -0.31 -0.54 0.00 0.00 174.62 174.69 2jci s TYR 110 N -1.80 2.35 0.50 3.99 2.02 0.21 -1.55 117.35 123.07 2jci s TYR 110 Ca 0.18 1.33 0.25 0.00 -0.37 0.00 0.00 57.07 58.46 2jci s TYR 110 Cb -0.07 -3.14 1.33 0.00 -0.40 0.00 0.00 41.96 39.68 2jci s TYR 110 CO 0.08 -2.29 1.92 0.66 -1.57 0.00 0.00 175.55 174.35 2jci h SER 111 N -1.48 0.12 -0.34 2.29 4.64 -1.11 0.26 113.55 117.94 2jci h SER 111 Ca -0.48 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2jci h SER 111 Cb 1.27 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2jci h SER 111 CO 0.54 0.05 0.00 -0.90 -0.87 0.00 0.00 176.83 175.65 2jci n ASP 112 N -4.37 2.35 0.00 4.97 5.75 -1.26 -4.95 116.55 119.04 2jci n ASP 112 Ca 0.16 -2.14 0.00 0.00 -0.01 0.00 0.00 54.79 52.80 2jci n ASP 112 Cb 0.76 -0.35 0.00 0.00 -1.03 0.00 0.00 41.12 40.50 2jci n ASP 112 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jci n GLY 113 N 0.84 2.14 3.75 6.12 0.00 0.93 -5.00 105.19 113.97 2jci n GLY 113 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 2jci n GLY 113 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jci s THR 114 N -2.88 2.32 0.22 2.61 2.01 -1.26 -4.69 115.64 113.98 2jci s THR 114 Ca 0.00 0.27 -0.31 0.00 0.31 0.00 0.00 61.69 61.96 2jci s THR 114 Cb 0.00 -3.18 -0.11 0.00 0.01 0.00 0.00 72.50 69.22 2jci s THR 114 CO 0.00 0.05 1.62 -0.69 -0.69 0.00 0.00 174.62 174.91 2jci s VAL 115 N -0.14 2.26 -0.18 3.82 1.01 -1.26 -0.62 120.40 125.29 2jci s VAL 115 Ca 0.60 0.20 -0.20 0.00 0.00 0.00 0.00 61.98 62.58 2jci s VAL 115 Cb -0.45 -3.13 -0.17 0.00 0.00 0.00 0.00 36.38 32.63 2jci s VAL 115 CO 0.48 0.02 0.27 0.40 0.00 0.00 0.00 175.10 176.26 2jci h ILE 116 N 3.74 0.91 -2.83 2.22 2.04 0.90 -3.45 117.51 121.04 2jci h ILE 116 Ca -0.44 -1.96 0.05 0.00 1.00 0.00 0.00 64.86 63.51 2jci h ILE 116 Cb 1.21 2.00 -0.10 0.00 -0.74 0.00 0.00 36.82 39.19 2jci h ILE 116 CO 0.89 0.31 0.28 0.00 0.00 0.00 0.00 178.15 179.63 2jci s ALA 117 N -2.40 -1.52 0.28 1.87 0.00 -1.04 -5.04 121.76 113.91 2jci s ALA 117 Ca -0.22 0.27 -0.13 0.00 0.00 0.00 0.00 51.96 51.88 2jci s ALA 117 Cb 0.03 0.79 -0.08 0.00 0.00 0.00 0.00 23.12 23.85 2jci s ALA 117 CO 0.52 -0.87 0.67 -1.12 0.00 0.00 0.00 175.76 174.95 2jci s SER 118 N -2.79 6.72 -0.16 0.00 0.01 -1.26 -1.06 113.70 115.17 2jci s SER 118 Ca 0.06 1.15 -0.04 0.00 1.31 0.00 0.00 55.95 58.43 2jci s SER 118 Cb -0.03 -2.32 -0.03 0.00 0.21 0.00 0.00 66.02 63.86 2jci s SER 118 CO -0.05 -0.15 -0.02 0.27 0.41 0.00 0.00 173.24 173.70 2jci s ILE 119 N -1.91 3.97 0.00 1.44 -0.00 0.64 -4.94 121.20 120.40 2jci s ILE 119 Ca 0.51 -0.33 0.00 0.00 -0.00 0.00 0.00 60.65 60.84 2jci s ILE 119 Cb -0.11 -2.75 0.00 0.00 -0.00 0.00 0.00 42.46 39.60 2jci s ILE 119 CO 0.19 0.48 0.00 1.21 -0.00 0.00 0.00 174.94 176.82 2jci n GLU 120 N 3.64 0.00 0.00 0.37 2.13 -1.26 -4.29 120.64 121.23 2jci n GLU 120 Ca -0.17 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.65 2jci n GLU 120 Cb 0.52 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.23 2jci n GLU 120 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 2jci n SER 121 N -0.14 0.00 -3.67 4.31 3.41 -1.26 -4.83 113.62 111.44 2jci n SER 121 Ca 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.63 2jci n SER 121 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2jci n SER 121 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2jci s ASP 122 N 0.00 -0.04 -0.14 4.04 -1.08 -1.26 -5.21 116.67 112.98 2jci s ASP 122 Ca 0.00 -0.19 -0.05 0.00 -0.52 0.00 0.00 52.55 51.79 2jci s ASP 122 Cb 0.00 0.18 0.07 0.00 -1.46 0.00 0.00 42.92 41.71 2jci s ASP 122 CO 0.00 -0.34 0.29 -0.32 0.52 0.00 0.00 175.17 175.32 2jci s MET 123 N -2.30 0.19 0.00 4.34 -2.45 -1.26 -5.37 119.30 112.45 2jci s MET 123 Ca 0.19 0.77 0.00 0.00 -1.25 0.00 0.00 55.69 55.40 2jci s MET 123 Cb 0.03 0.01 0.00 0.00 1.25 0.00 0.00 34.83 36.12 2jci s MET 123 CO -0.02 -0.26 0.00 1.28 1.05 0.00 0.00 175.02 177.06 2jci n LEU 124 N 5.21 0.00 0.00 4.11 4.77 -1.26 -5.42 117.00 124.42 2jci n LEU 124 Ca -0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 2jci n LEU 124 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 2jci n LEU 124 CO 0.03 0.00 0.00 0.47 -1.33 0.00 0.00 177.39 176.56 2jci n ASP 337 N -0.06 0.00 -0.29 -1.43 8.00 -1.26 -5.42 116.55 116.09 2jci n ASP 337 Ca 0.00 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.58 2jci n ASP 337 Cb 0.00 0.00 0.24 0.00 -0.02 0.00 0.00 41.12 41.34 2jci n ASP 337 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 2jci h TYR 338 N 0.00 0.72 -0.82 1.24 0.05 -1.98 -2.62 116.97 113.55 2jci h TYR 338 Ca 0.00 0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.82 2jci h TYR 338 Cb 0.00 -0.19 -0.04 0.00 1.01 0.00 0.00 36.73 37.51 2jci h TYR 338 CO 0.00 0.12 0.52 1.25 -1.05 0.00 0.00 178.16 178.99 2jci h LEU 339 N 0.55 0.96 0.33 3.88 5.85 -1.99 -1.70 115.31 123.20 2jci h LEU 339 Ca 0.48 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 59.14 2jci h LEU 339 Cb 0.75 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.54 2jci h LEU 339 CO -0.41 0.72 -0.16 0.22 -0.34 0.00 0.00 178.44 178.48 2jci h TYR 340 N 1.12 -0.41 -0.36 1.25 5.03 -1.92 -2.20 116.97 119.47 2jci h TYR 340 Ca 0.30 -0.01 -0.16 0.00 2.58 0.00 0.00 58.73 61.43 2jci h TYR 340 Cb -0.08 0.14 -0.01 0.00 1.55 0.00 0.00 36.73 38.33 2jci h TYR 340 CO -0.01 -0.11 -0.42 0.74 -1.32 0.00 0.00 178.16 177.05 2jci h PHE 341 N -0.70 1.10 -0.18 -3.82 0.04 -1.44 0.00 116.94 111.95 2jci h PHE 341 Ca -0.05 -0.34 0.01 0.00 2.80 0.00 0.00 57.97 60.40 2jci h PHE 341 Cb 0.48 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 38.39 2jci h PHE 341 CO 0.01 1.17 0.07 1.15 -0.60 0.00 0.00 178.31 180.10 2jci h THR 342 N 0.74 0.97 -0.23 -1.55 2.02 -1.35 0.19 112.91 113.70 2jci h THR 342 Ca 0.05 -0.05 -0.14 0.00 0.77 0.00 0.00 66.41 67.03 2jci h THR 342 Cb 1.01 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 2jci h THR 342 CO 0.10 0.03 -0.42 0.71 0.37 0.00 0.00 175.52 176.31 2jci h THR 343 N 0.16 1.31 -0.18 3.16 1.35 -1.35 -1.21 112.91 116.14 2jci h THR 343 Ca 0.08 -1.63 0.00 0.00 -0.55 0.00 0.00 66.41 64.30 2jci h THR 343 Cb 0.04 1.78 -0.01 0.00 -1.73 0.00 0.00 68.15 68.22 2jci h THR 343 CO -0.07 0.51 0.11 0.25 -0.25 0.00 0.00 175.52 176.08 2jci h LEU 344 N 0.40 0.22 -0.99 3.87 5.85 -0.93 0.47 115.31 124.19 2jci h LEU 344 Ca 0.01 -0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.73 2jci h LEU 344 Cb 1.02 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.94 2jci h LEU 344 CO 0.09 0.19 0.65 0.00 -0.34 0.00 0.00 178.44 179.03 2jci h ALA 345 N 1.04 1.30 -0.34 1.25 0.00 -0.49 0.86 119.26 122.88 2jci h ALA 345 Ca 0.07 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 2jci h ALA 345 Cb 0.00 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.42 2jci h ALA 345 CO -0.01 0.58 -0.39 1.49 0.00 0.00 0.00 179.25 180.91 2jci h GLU 346 N 1.29 0.86 -0.61 0.00 4.81 -0.89 -2.28 114.58 117.76 2jci h GLU 346 Ca 0.39 -0.48 0.08 0.00 -0.13 0.00 0.00 59.36 59.22 2jci h GLU 346 Cb -0.05 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.29 2jci h GLU 346 CO -0.11 1.12 0.26 0.00 -0.73 0.00 0.00 179.01 179.54 2jci h ALA 347 N 0.73 0.79 -0.69 2.92 0.00 -0.47 0.03 119.26 122.57 2jci h ALA 347 Ca 0.05 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.04 2jci h ALA 347 Cb 0.99 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 2jci h ALA 347 CO 0.09 -0.14 0.46 1.96 0.00 0.00 0.00 179.25 181.62 2jci h GLN 348 N 0.46 0.85 -0.27 0.00 4.20 -0.72 0.00 115.11 119.64 2jci h GLN 348 Ca 0.30 -0.05 -0.14 0.00 0.06 0.00 0.00 58.65 58.81 2jci h GLN 348 Cb 0.33 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 2jci h GLN 348 CO -0.27 0.57 -0.42 0.93 -0.67 0.00 0.00 178.83 178.97 2jci h GLU 349 N 0.88 0.65 -0.68 1.46 5.08 -0.79 -1.41 114.58 119.76 2jci h GLU 349 Ca 0.27 -0.34 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 2jci h GLU 349 Cb -0.02 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 2jci h GLU 349 CO -0.07 0.94 0.17 0.00 -1.00 0.00 0.00 179.01 179.06 2jci h ARG 350 N 0.53 1.09 -0.41 2.33 2.47 -0.67 -2.70 114.38 117.01 2jci h ARG 350 Ca 0.04 -0.26 -0.07 0.00 -1.26 0.00 0.00 59.98 58.44 2jci h ARG 350 Cb 0.94 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 29.10 2jci h ARG 350 CO 0.09 0.97 0.00 1.98 0.56 0.00 0.00 179.97 183.57 2jci h MET 351 N 1.02 0.73 -0.50 0.04 4.05 -0.84 -2.74 114.93 116.69 2jci h MET 351 Ca 0.21 -0.23 0.09 0.00 -0.28 0.00 0.00 59.70 59.49 2jci h MET 351 Cb 0.36 -0.07 -0.07 0.00 -0.80 0.00 0.00 31.60 31.03 2jci h MET 351 CO 0.00 0.81 0.09 -0.92 0.23 0.00 0.00 176.91 177.12 2jci h TYR 352 N 0.56 0.13 -0.16 1.39 5.03 -1.23 0.80 116.97 123.50 2jci h TYR 352 Ca 0.12 0.03 -0.07 0.00 2.58 0.00 0.00 58.73 61.38 2jci h TYR 352 Cb 0.48 0.02 -0.01 0.00 1.55 0.00 0.00 36.73 38.76 2jci h TYR 352 CO 0.04 -0.02 -0.23 -0.44 -1.32 0.00 0.00 178.16 176.18 2jci h ASP 353 N 0.22 0.28 0.32 -2.11 3.32 -1.26 0.18 116.42 117.37 2jci h ASP 353 Ca 0.25 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 2jci h ASP 353 Cb 0.34 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.82 2jci h ASP 353 CO -0.34 0.52 -0.15 0.22 -1.72 0.00 0.00 179.24 177.77 2jci h TYR 354 N 0.26 -0.40 -0.42 4.55 5.03 -1.07 -1.62 116.97 123.30 2jci h TYR 354 Ca 0.04 -0.01 0.09 0.00 2.58 0.00 0.00 58.73 61.43 2jci h TYR 354 Cb 0.56 0.13 -0.09 0.00 1.55 0.00 0.00 36.73 38.88 2jci h TYR 354 CO 0.01 -0.07 -0.17 -0.07 -1.32 0.00 0.00 178.16 176.54 2jci h LEU 355 N -0.78 -0.58 -1.31 2.82 4.07 -0.75 -0.38 115.31 118.41 2jci h LEU 355 Ca -0.04 0.15 0.06 0.00 0.08 0.00 0.00 57.88 58.13 2jci h LEU 355 Cb 0.51 0.33 -0.05 0.00 1.08 0.00 0.00 40.66 42.53 2jci h LEU 355 CO 0.07 -0.20 0.51 0.00 -1.08 0.00 0.00 178.44 177.74 2jci h ALA 356 N 1.26 1.65 0.18 1.53 0.00 -0.60 -1.95 119.26 121.32 2jci h ALA 356 Ca 0.20 -0.02 -0.33 0.00 0.00 0.00 0.00 54.91 54.76 2jci h ALA 356 Cb 0.39 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.98 2jci h ALA 356 CO -0.47 0.23 -1.56 0.37 0.00 0.00 0.00 179.25 177.82 2jci h GLN 357 N 0.84 0.39 0.00 0.00 4.15 -1.07 -1.90 115.11 117.51 2jci h GLN 357 Ca 0.33 -0.66 -0.05 0.00 0.77 0.00 0.00 58.65 59.04 2jci h GLN 357 Cb 0.24 0.25 -0.01 0.00 0.21 0.00 0.00 27.48 28.17 2jci h GLN 357 CO -0.11 1.29 -0.25 -0.09 -1.93 0.00 0.00 178.83 177.74 2jci h ARG 358 N 0.11 0.00 -0.63 1.69 2.43 -0.71 -1.04 114.38 116.22 2jci h ARG 358 Ca -0.27 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 2jci h ARG 358 Cb 2.09 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.64 2jci h ARG 358 CO 0.21 0.25 0.00 -0.25 -1.51 0.00 0.00 179.97 178.66 2jci n ASP 359 N -3.75 3.91 -3.87 -3.80 10.43 -0.77 -4.99 116.55 113.72 2jci n ASP 359 Ca -0.01 -2.28 -0.25 0.00 2.57 0.00 0.00 54.79 54.82 2jci n ASP 359 Cb 0.35 -0.50 0.00 0.00 1.84 0.00 0.00 41.12 42.81 2jci n ASP 359 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 2jci n ASN 360 N 1.04 -1.07 -4.94 -2.24 3.02 -0.39 -4.99 115.26 105.69 2jci n ASN 360 Ca 0.22 -0.92 -0.25 0.00 -0.03 0.00 0.00 54.58 53.60 2jci n ASN 360 Cb 0.71 -3.48 0.06 0.00 -0.61 0.00 0.00 39.78 36.45 2jci n ASN 360 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2jci s VAL 361 N -3.77 2.55 -0.22 2.41 1.01 -0.76 -4.99 120.40 116.63 2jci s VAL 361 Ca 0.08 -0.33 0.07 0.00 0.00 0.00 0.00 61.98 61.80 2jci s VAL 361 Cb -0.04 -3.06 0.23 0.00 0.00 0.00 0.00 36.38 33.51 2jci s VAL 361 CO 0.86 -0.06 1.11 -1.54 0.00 0.00 0.00 175.10 175.47 2jci n SER 362 N -2.74 -0.93 0.00 3.32 3.41 -1.26 -4.90 113.62 110.52 2jci n SER 362 Ca 0.07 -1.74 0.00 0.00 -0.26 0.00 0.00 58.87 56.94 2jci n SER 362 Cb 0.60 0.48 0.00 0.00 -0.26 0.00 0.00 64.21 65.03 2jci n SER 362 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jci n ALA 363 N -0.84 0.00 0.00 7.33 0.00 -1.26 -5.25 120.51 120.49 2jci n ALA 363 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2jci n ALA 363 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.17 2jci n ALA 363 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2jci n GLU 369 N 0.00 0.00 0.00 0.00 2.13 -1.26 -5.13 120.64 116.38 2jci n GLU 369 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2jci n GLU 369 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 2jci n GLU 369 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2jci n ALA 370 N 0.00 2.40 -3.56 4.31 0.00 -1.26 -2.75 120.51 119.65 2jci n ALA 370 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 2jci n ALA 370 Cb 0.00 -1.00 -0.11 0.00 0.00 0.00 0.00 19.45 18.34 2jci n ALA 370 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2jci s THR 371 N -1.94 1.06 0.00 0.00 2.01 -1.26 -4.72 115.64 110.79 2jci s THR 371 Ca 0.00 -2.92 0.00 0.00 0.31 0.00 0.00 61.69 59.08 2jci s THR 371 Cb 0.00 -1.73 0.00 0.00 0.01 0.00 0.00 72.50 70.78 2jci s THR 371 CO 0.00 -1.11 0.00 1.67 -0.69 0.00 0.00 174.62 174.49 2jci n GLN 372 N 2.87 0.00 0.00 4.92 7.27 -1.11 -4.68 117.38 126.65 2jci n GLN 372 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.30 2jci n GLN 372 Cb 0.42 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.07 2jci n GLN 372 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 2jci n LYS 373 N 2.02 0.00 0.09 3.69 3.00 -1.26 0.11 118.16 125.81 2jci n LYS 373 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 58.31 58.09 2jci n LYS 373 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 35.03 34.90 2jci n LYS 373 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.40 177.75 2jci h PHE 374 N 0.00 1.02 -0.42 5.64 3.57 -1.89 -3.05 116.94 121.82 2jci h PHE 374 Ca 0.00 -0.64 -0.08 0.00 3.53 0.00 0.00 57.97 60.78 2jci h PHE 374 Cb 0.00 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.64 2jci h PHE 374 CO 0.00 1.48 -0.05 1.88 -2.23 0.00 0.00 178.31 179.39 2jci h TYR 375 N 0.28 0.76 0.06 0.41 0.05 0.49 -0.35 116.97 118.66 2jci h TYR 375 Ca -0.19 -0.11 0.03 0.00 0.05 0.00 0.00 58.73 58.51 2jci h TYR 375 Cb 1.91 -0.21 -0.05 0.00 1.01 0.00 0.00 36.73 39.40 2jci h TYR 375 CO 0.12 0.74 -0.34 0.00 -1.05 0.00 0.00 178.16 177.63 2jci h ARG 376 N 0.66 -0.51 -0.36 4.88 -0.00 -1.71 -2.19 114.38 115.15 2jci h ARG 376 Ca 0.13 0.03 -0.05 0.00 -0.50 0.00 0.00 59.98 59.59 2jci h ARG 376 Cb 0.48 0.12 -0.02 0.00 0.00 0.00 0.00 29.97 30.55 2jci h ARG 376 CO 0.02 -0.34 0.02 -0.44 0.00 0.00 0.00 179.97 179.23 2jci h ASP 377 N -0.53 0.52 0.19 7.04 3.32 -1.34 -1.93 116.42 123.69 2jci h ASP 377 Ca 0.05 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 2jci h ASP 377 Cb 0.59 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.00 2jci h ASP 377 CO -0.24 0.58 -0.09 0.25 -1.72 0.00 0.00 179.24 178.02 2jci h LEU 378 N 0.54 -0.21 -0.90 1.55 6.46 -0.97 -2.26 115.31 119.52 2jci h LEU 378 Ca 0.12 -0.12 0.13 0.00 -0.12 0.00 0.00 57.88 57.89 2jci h LEU 378 Cb 0.32 0.06 -0.09 0.00 -0.73 0.00 0.00 40.66 40.22 2jci h LEU 378 CO 0.01 -0.01 0.51 0.00 -0.62 0.00 0.00 178.44 178.33 2jci h ALA 379 N 0.36 1.36 -0.56 1.25 0.00 -0.72 0.43 119.26 121.38 2jci h ALA 379 Ca -0.03 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 2jci h ALA 379 Cb 0.32 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2jci h ALA 379 CO 0.04 0.04 0.01 0.00 0.00 0.00 0.00 179.25 179.34 2jci h ALA 380 N 1.54 0.97 -0.26 0.00 0.00 -1.27 -2.83 119.26 117.40 2jci h ALA 380 Ca 0.47 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 2jci h ALA 380 Cb 0.57 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2jci h ALA 380 CO -0.31 0.63 -0.11 0.87 0.00 0.00 0.00 179.25 180.33 2jci h LYS 381 N 0.88 0.54 -0.90 0.00 1.57 -0.18 -0.92 116.57 117.56 2jci h LYS 381 Ca 0.16 -0.23 0.13 0.00 -1.87 0.00 0.00 60.65 58.84 2jci h LYS 381 Cb 0.50 -0.02 -0.09 0.00 0.08 0.00 0.00 32.23 32.70 2jci h LYS 381 CO 0.02 0.78 0.52 1.49 -0.57 0.00 0.00 179.45 181.69 2jci h GLU 382 N 0.28 0.77 0.23 3.15 4.57 -0.23 -0.86 114.58 122.49 2jci h GLU 382 Ca 0.06 -0.05 -0.33 0.00 -1.18 0.00 0.00 59.36 57.86 2jci h GLU 382 Cb 0.61 -0.17 0.04 0.00 -0.16 0.00 0.00 28.75 29.06 2jci h GLU 382 CO 0.03 0.51 -1.44 0.82 -1.18 0.00 0.00 179.01 177.76 2jci h ILE 383 N 0.79 1.29 0.00 2.32 2.04 -1.35 0.16 117.51 122.76 2jci h ILE 383 Ca 0.46 -2.67 0.00 0.00 1.00 0.00 0.00 64.86 63.65 2jci h ILE 383 Cb 0.54 2.98 0.00 0.00 -0.74 0.00 0.00 36.82 39.60 2jci h ILE 383 CO -0.30 0.80 0.00 1.05 0.00 0.00 0.00 178.15 179.70 2jci h GLU 384 N 0.17 0.00 0.00 2.37 4.11 -0.91 -3.35 114.58 116.97 2jci h GLU 384 Ca -0.24 0.00 -0.40 0.00 0.07 0.00 0.00 59.36 58.78 2jci h GLU 384 Cb 2.13 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 31.32 2jci h GLU 384 CO 0.27 0.00 -2.22 0.09 0.07 0.00 0.00 179.01 177.22 2jci n ASN 385 N -3.04 1.94 -3.27 3.06 3.02 -0.35 -4.68 115.26 111.94 2jci n ASN 385 Ca 0.03 0.34 -0.29 0.00 -0.03 0.00 0.00 54.58 54.64 2jci n ASN 385 Cb 0.48 -0.84 0.27 0.00 -0.61 0.00 0.00 39.78 39.08 2jci n ASN 385 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jci n GLY 386 N 1.35 -3.70 2.91 7.41 0.00 0.04 -4.86 105.19 108.34 2jci n GLY 386 Ca -0.48 -1.33 -0.30 0.00 0.00 0.00 0.00 46.02 43.90 2jci n GLY 386 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jci s GLY 387 N -3.32 2.23 -0.04 -0.02 0.00 -1.26 -3.78 107.32 101.13 2jci s GLY 387 Ca 0.64 -3.05 0.05 0.00 0.00 0.00 0.00 44.72 42.35 2jci s GLY 387 CO 0.52 1.11 -0.18 -0.19 0.00 0.00 0.00 173.10 174.37 2jci s TYR 388 N -0.03 2.60 -0.25 1.90 2.02 -1.26 -1.64 117.35 120.69 2jci s TYR 388 Ca 0.16 -0.25 -0.12 0.00 -0.37 0.00 0.00 57.07 56.49 2jci s TYR 388 Cb -0.25 -1.60 -0.05 0.00 -0.40 0.00 0.00 41.96 39.67 2jci s TYR 388 CO -0.01 0.11 0.25 0.21 -1.57 0.00 0.00 175.55 174.54 2jci s LYS 389 N -0.67 4.04 -0.37 -0.62 2.20 0.20 -1.53 119.74 123.00 2jci s LYS 389 Ca 0.10 -0.15 -0.06 0.00 -0.36 0.00 0.00 55.97 55.51 2jci s LYS 389 Cb -0.11 -3.60 0.07 0.00 -1.51 0.00 0.00 37.83 32.68 2jci s LYS 389 CO 0.00 -0.09 0.15 0.42 -0.36 0.00 0.00 175.35 175.47 2jci s ILE 390 N 1.50 3.67 -0.21 5.43 1.01 -0.39 -0.43 121.20 131.78 2jci s ILE 390 Ca 0.11 -1.43 -0.19 0.00 0.00 0.00 0.00 60.65 59.14 2jci s ILE 390 Cb -0.15 -3.21 -0.03 0.00 0.01 0.00 0.00 42.46 39.08 2jci s ILE 390 CO 0.08 -0.36 0.55 -0.89 0.00 0.00 0.00 174.94 174.32 2jci s THR 391 N 1.33 5.08 0.61 2.92 2.01 0.96 -1.78 115.64 126.76 2jci s THR 391 Ca 0.01 1.00 0.04 0.00 0.31 0.00 0.00 61.69 63.05 2jci s THR 391 Cb -0.21 -3.87 0.08 0.00 0.01 0.00 0.00 72.50 68.51 2jci s THR 391 CO 0.01 0.15 0.84 0.42 -0.69 0.00 0.00 174.62 175.34 2jci s THR 392 N 1.81 2.35 -2.09 -0.82 -4.23 -0.59 0.31 115.64 112.38 2jci s THR 392 Ca 0.25 -0.77 0.24 0.00 -1.18 0.00 0.00 61.69 60.23 2jci s THR 392 Cb -0.16 -2.58 0.13 0.00 1.34 0.00 0.00 72.50 71.23 2jci s THR 392 CO 0.10 0.00 1.29 0.35 -0.54 0.00 0.00 174.62 175.82 2jci n THR 393 N -2.45 0.00 -2.25 3.99 -2.24 -0.52 -3.30 114.28 107.51 2jci n THR 393 Ca 0.13 -0.25 -0.42 0.00 -2.27 0.00 0.00 64.05 61.24 2jci n THR 393 Cb 0.60 0.98 -0.03 0.00 -2.10 0.00 0.00 70.33 69.78 2jci n THR 393 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2jci s ILE 394 N -2.40 3.63 -0.32 2.28 -1.09 -1.24 -4.44 121.20 117.61 2jci s ILE 394 Ca 0.22 1.12 -0.18 0.00 -2.23 0.00 0.00 60.65 59.59 2jci s ILE 394 Cb 0.19 -3.72 -0.01 0.00 -1.58 0.00 0.00 42.46 37.34 2jci s ILE 394 CO 0.51 0.06 0.50 -0.62 -1.23 0.00 0.00 174.94 174.16 2jci s ASP 395 N 1.36 6.33 0.21 3.58 -1.08 -0.27 -1.11 116.67 125.70 2jci s ASP 395 Ca 0.63 0.12 -0.09 0.00 -0.52 0.00 0.00 52.55 52.69 2jci s ASP 395 Cb -0.33 -2.26 0.29 0.00 -1.46 0.00 0.00 42.92 39.16 2jci s ASP 395 CO 0.29 -0.41 1.76 -0.61 0.52 0.00 0.00 175.17 176.72 2jci h GLN 396 N 8.34 0.49 -0.21 4.34 4.15 -1.93 -1.34 115.11 128.94 2jci h GLN 396 Ca -0.28 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.08 2jci h GLN 396 Cb 1.13 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.70 2jci h GLN 396 CO 0.75 0.32 0.04 0.87 -1.93 0.00 0.00 178.83 178.88 2jci h LYS 397 N 0.50 0.35 -0.16 1.69 1.57 -1.95 -0.77 116.57 117.81 2jci h LYS 397 Ca 0.32 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 59.00 2jci h LYS 397 Cb 0.36 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 2jci h LYS 397 CO -0.28 0.50 0.08 0.82 -0.57 0.00 0.00 179.45 180.00 2jci h ILE 398 N 0.15 1.11 -0.69 1.86 2.04 -1.86 0.12 117.51 120.25 2jci h ILE 398 Ca 0.06 -0.31 0.02 0.00 1.00 0.00 0.00 64.86 65.64 2jci h ILE 398 Cb 0.32 1.03 -0.04 0.00 -0.74 0.00 0.00 36.82 37.39 2jci h ILE 398 CO 0.00 0.10 0.44 -0.74 0.00 0.00 0.00 178.15 177.96 2jci h HIS 399 N 0.14 0.83 -0.07 1.37 2.76 -1.18 0.21 115.15 119.22 2jci h HIS 399 Ca 0.05 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.24 2jci h HIS 399 Cb 0.09 -0.28 -0.00 0.00 1.55 0.00 0.00 27.41 28.77 2jci h HIS 399 CO -0.03 0.49 0.00 1.03 -1.30 0.00 0.00 177.93 178.12 2jci h SER 400 N 0.88 0.12 -1.00 3.26 0.87 -1.05 -1.80 113.55 114.83 2jci h SER 400 Ca 0.27 -0.30 0.21 0.00 -1.23 0.00 0.00 61.79 60.74 2jci h SER 400 Cb -0.03 -0.03 -0.10 0.00 -0.44 0.00 0.00 62.40 61.80 2jci h SER 400 CO -0.09 0.39 0.62 0.00 -0.53 0.00 0.00 176.83 177.21 2jci h ALA 401 N 0.74 1.84 -0.44 6.23 0.00 -0.79 0.11 119.26 126.95 2jci h ALA 401 Ca 0.02 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 2jci h ALA 401 Cb 0.32 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2jci h ALA 401 CO 0.00 -0.21 -0.01 0.52 0.00 0.00 0.00 179.25 179.55 2jci h MET 402 N 0.65 0.72 -0.38 0.00 2.86 0.01 -0.23 114.93 118.56 2jci h MET 402 Ca 0.57 -0.19 -0.10 0.00 -2.06 0.00 0.00 59.70 57.92 2jci h MET 402 Cb 1.05 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.61 2jci h MET 402 CO -0.35 0.74 -0.16 1.96 1.06 0.00 0.00 176.91 180.16 2jci h GLN 403 N 0.68 0.78 -0.81 1.72 1.08 -0.15 -1.57 115.11 116.85 2jci h GLN 403 Ca 0.13 -0.33 -0.04 0.00 -1.45 0.00 0.00 58.65 56.96 2jci h GLN 403 Cb 0.43 -0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.79 2jci h GLN 403 CO 0.02 0.95 0.34 0.77 -0.95 0.00 0.00 178.83 179.96 2jci h SER 404 N 0.58 1.09 -0.26 1.46 0.02 -0.71 -0.68 113.55 115.06 2jci h SER 404 Ca 0.09 -0.16 0.04 0.00 -0.84 0.00 0.00 61.79 60.92 2jci h SER 404 Cb 0.70 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.92 2jci h SER 404 CO 0.05 0.95 0.05 0.00 -1.14 0.00 0.00 176.83 176.74 2jci h ALA 405 N 1.20 0.26 -0.06 3.77 0.00 -0.69 0.61 119.26 124.36 2jci h ALA 405 Ca 0.27 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.12 2jci h ALA 405 Cb 0.19 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2jci h ALA 405 CO -0.03 -0.37 -0.46 -0.24 0.00 0.00 0.00 179.25 178.16 2jci h VAL 406 N 0.15 1.33 -0.28 0.00 3.04 -0.96 -0.72 116.25 118.80 2jci h VAL 406 Ca 0.12 -1.61 -0.10 0.00 -1.01 0.00 0.00 66.70 64.09 2jci h VAL 406 Cb 0.12 1.80 -0.01 0.00 -2.01 0.00 0.00 31.29 31.20 2jci h VAL 406 CO -0.16 0.47 -0.23 0.00 -1.01 0.00 0.00 177.57 176.64 2jci h ALA 407 N 1.43 0.41 0.00 3.17 0.00 -0.58 0.18 119.26 123.86 2jci h ALA 407 Ca 0.01 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.45 2jci h ALA 407 Cb 0.86 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2jci h ALA 407 CO 0.07 0.37 -0.49 -0.44 0.00 0.00 0.00 179.25 178.76 2jci h ASP 408 N 0.39 0.00 0.00 0.00 3.32 -0.76 -3.38 116.42 115.99 2jci h ASP 408 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2jci h ASP 408 Cb 0.79 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.34 2jci h ASP 408 CO 0.06 0.41 0.00 -1.22 -1.72 0.00 0.00 179.24 176.77 2jci n TYR 409 N -3.17 0.00 -0.28 4.55 4.01 -0.29 -4.72 117.16 117.25 2jci n TYR 409 Ca 0.02 -0.05 0.10 0.00 -0.16 0.00 0.00 57.90 57.81 2jci n TYR 409 Cb 0.70 -0.00 0.25 0.00 -0.31 0.00 0.00 39.34 39.98 2jci n TYR 409 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2jci h GLY 410 N 0.00 1.28 1.76 2.72 0.00 -0.70 -1.28 103.07 106.84 2jci h GLY 410 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.25 2jci h GLY 410 CO 0.00 -0.26 0.12 0.10 0.00 0.00 0.00 176.54 176.49 2jci h TYR 411 N 0.30 0.00 0.00 5.60 -0.00 -1.85 -0.02 116.97 121.00 2jci h TYR 411 Ca 0.50 0.00 -0.00 0.00 -0.00 0.00 0.00 58.73 59.23 2jci h TYR 411 Cb 0.93 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.66 2jci h TYR 411 CO -0.23 0.00 -0.00 -0.07 -0.00 0.00 0.00 178.16 177.86 2jci h LEU 412 N 0.00 0.00 0.00 0.10 3.38 -1.59 -2.45 115.31 114.75 2jci h LEU 412 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jci h LEU 412 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2jci h LEU 412 CO 0.00 0.00 -0.80 -0.07 0.09 0.00 0.00 178.44 177.67 2jci h LEU 413 N 0.00 0.00 -9.17 1.67 4.07 -1.17 -3.45 115.31 107.26 2jci h LEU 413 Ca -0.00 -0.09 -0.57 0.00 0.08 0.00 0.00 57.88 57.30 2jci h LEU 413 Cb 0.10 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.80 2jci h LEU 413 CO 0.00 0.05 0.84 -1.81 -1.08 0.00 0.00 178.44 176.44 2jci s ASP 414 N -4.95 6.99 -0.13 -0.43 1.01 -0.92 -4.77 116.67 113.47 2jci s ASP 414 Ca 0.03 1.67 0.17 0.00 0.71 0.00 0.00 52.55 55.12 2jci s ASP 414 Cb 0.11 -2.54 0.34 0.00 1.01 0.00 0.00 42.92 41.83 2jci s ASP 414 CO 0.76 -0.71 1.22 -0.90 0.21 0.00 0.00 175.17 175.74 2jci n ASP 415 N 6.28 2.77 0.00 0.27 5.75 -1.26 -4.91 116.55 125.45 2jci n ASP 415 Ca 0.13 -2.96 0.00 0.00 -0.01 0.00 0.00 54.79 51.95 2jci n ASP 415 Cb 0.45 -0.42 0.00 0.00 -1.03 0.00 0.00 41.12 40.12 2jci n ASP 415 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jci n GLY 416 N -1.05 0.69 1.15 6.12 0.00 -1.26 -4.81 105.19 106.03 2jci n GLY 416 Ca 0.16 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.26 2jci n GLY 416 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jci n THR 417 N -2.00 1.83 0.00 2.61 -2.24 -1.26 -5.08 114.28 108.14 2jci n THR 417 Ca 0.00 -1.38 0.00 0.00 -2.27 0.00 0.00 64.05 60.40 2jci n THR 417 Cb 0.00 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.31 2jci n THR 417 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jci n GLY 418 N 0.43 0.36 3.53 3.38 0.00 -1.26 -4.95 105.19 106.68 2jci n GLY 418 Ca 0.21 -2.27 -0.43 0.00 0.00 0.00 0.00 46.02 43.53 2jci n GLY 418 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2jci s ARG 419 N 0.00 3.35 -0.26 1.61 3.52 -1.26 -4.48 118.95 121.43 2jci s ARG 419 Ca 0.00 -0.22 -0.21 0.00 -0.13 0.00 0.00 55.73 55.17 2jci s ARG 419 Cb 0.00 -3.97 -0.02 0.00 -1.56 0.00 0.00 34.95 29.41 2jci s ARG 419 CO 0.00 -1.15 0.65 0.08 -0.81 0.00 0.00 175.30 174.06 2jci s VAL 420 N 3.25 4.96 0.74 7.11 1.01 -1.26 -4.81 120.40 131.40 2jci s VAL 420 Ca 0.28 1.13 -0.04 0.00 0.00 0.00 0.00 61.98 63.35 2jci s VAL 420 Cb -0.13 -3.96 0.12 0.00 0.00 0.00 0.00 36.38 32.41 2jci s VAL 420 CO 0.21 -0.00 1.02 -1.61 0.00 0.00 0.00 175.10 174.72 2jci s GLU 421 N 2.55 1.70 -0.17 2.72 0.41 -0.71 -4.86 118.70 120.33 2jci s GLU 421 Ca 0.27 -0.81 -0.26 0.00 -0.41 0.00 0.00 54.97 53.76 2jci s GLU 421 Cb -0.15 -2.24 0.07 0.00 -1.78 0.00 0.00 34.13 30.02 2jci s GLU 421 CO 0.09 -1.48 0.67 0.54 -0.49 0.00 0.00 175.26 174.59 2jci s VAL 422 N -3.24 0.00 -0.01 2.63 0.11 -1.26 -2.49 120.40 116.15 2jci s VAL 422 Ca 0.65 -0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.69 2jci s VAL 422 Cb -0.07 -0.96 0.01 0.00 -1.53 0.00 0.00 36.38 33.83 2jci s VAL 422 CO 0.45 -0.01 -0.00 -0.83 -3.33 0.00 0.00 175.10 171.38 2jci s GLY 423 N -0.26 0.06 -0.11 6.54 0.00 -0.65 -2.83 107.32 110.07 2jci s GLY 423 Ca -0.04 0.03 -0.06 0.00 0.00 0.00 0.00 44.72 44.65 2jci s GLY 423 CO 0.04 0.13 0.27 -1.31 0.00 0.00 0.00 173.10 172.23 2jci s ASN 424 N 0.23 -0.30 -0.11 1.64 0.01 -0.82 -1.21 114.94 114.38 2jci s ASN 424 Ca -0.02 0.58 0.03 0.00 -0.71 0.00 0.00 52.86 52.75 2jci s ASN 424 Cb -0.03 0.47 0.00 0.00 0.41 0.00 0.00 41.25 42.10 2jci s ASN 424 CO -0.01 -0.17 -0.22 -0.69 -1.51 0.00 0.00 177.10 174.50 2jci s VAL 425 N 1.27 1.95 -0.29 1.60 1.01 -1.13 -0.02 120.40 124.78 2jci s VAL 425 Ca -0.09 -0.94 -0.08 0.00 0.00 0.00 0.00 61.98 60.87 2jci s VAL 425 Cb -0.10 -1.71 -0.00 0.00 0.00 0.00 0.00 36.38 34.57 2jci s VAL 425 CO -0.09 0.53 0.11 -0.22 0.00 0.00 0.00 175.10 175.43 2jci s LEU 426 N 0.53 3.89 0.02 3.92 2.96 -0.73 -1.62 118.68 127.64 2jci s LEU 426 Ca -0.15 -0.57 0.08 0.00 -0.22 0.00 0.00 54.13 53.27 2jci s LEU 426 Cb -0.17 -1.93 -0.03 0.00 0.50 0.00 0.00 46.19 44.56 2jci s LEU 426 CO 0.05 -0.17 -0.23 -0.32 -1.32 0.00 0.00 176.35 174.36 2jci s MET 427 N 1.56 2.02 -0.31 1.98 -2.45 0.42 0.09 119.30 122.61 2jci s MET 427 Ca 0.04 -0.99 -0.27 0.00 -1.25 0.00 0.00 55.69 53.23 2jci s MET 427 Cb -0.17 -2.08 0.01 0.00 1.25 0.00 0.00 34.83 33.84 2jci s MET 427 CO 0.04 0.54 0.95 0.34 1.05 0.00 0.00 175.02 177.94 2jci s ASP 428 N -1.04 6.83 0.55 1.11 -1.08 0.07 -0.80 116.67 122.31 2jci s ASP 428 Ca 0.12 0.91 0.27 0.00 -0.52 0.00 0.00 52.55 53.33 2jci s ASP 428 Cb -0.10 -2.49 1.60 0.00 -1.46 0.00 0.00 42.92 40.47 2jci s ASP 428 CO 0.02 -0.75 2.16 0.78 0.52 0.00 0.00 175.17 177.90 2jci h ASN 429 N 8.05 0.00 1.20 -0.34 2.35 -0.82 -0.50 115.58 125.51 2jci h ASN 429 Ca -0.22 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.53 2jci h ASN 429 Cb 1.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.45 2jci h ASN 429 CO 0.97 0.06 -0.45 1.56 -1.65 0.00 0.00 177.43 177.92 2jci h GLN 430 N 0.00 0.00 0.00 0.81 7.50 -1.88 -3.42 115.11 118.13 2jci h GLN 430 Ca -0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 2jci h GLN 430 Cb 0.16 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.69 2jci h GLN 430 CO 0.01 0.00 -0.49 0.25 -1.50 0.00 0.00 178.83 177.10 2jci n THR 431 N -2.39 0.00 -0.09 -0.54 -2.24 -1.03 -4.95 114.28 103.04 2jci n THR 431 Ca 0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 2jci n THR 431 Cb 0.47 0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 2jci n THR 431 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jci n GLY 432 N 1.30 1.49 3.75 3.38 0.00 -0.22 -4.59 105.19 110.30 2jci n GLY 432 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2jci n GLY 432 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jci s ALA 433 N -2.63 3.66 -0.38 4.61 0.00 -1.26 -2.32 121.76 123.43 2jci s ALA 433 Ca 0.00 1.41 -0.23 0.00 0.00 0.00 0.00 51.96 53.14 2jci s ALA 433 Cb 0.00 -3.58 0.01 0.00 0.00 0.00 0.00 23.12 19.55 2jci s ALA 433 CO 0.00 -0.82 0.76 0.42 0.00 0.00 0.00 175.76 176.12 2jci s ILE 434 N -0.09 4.74 -0.12 0.00 1.01 -0.64 -0.75 121.20 125.34 2jci s ILE 434 Ca 0.60 0.75 0.14 0.00 0.00 0.00 0.00 60.65 62.14 2jci s ILE 434 Cb -0.44 -4.21 0.01 0.00 0.01 0.00 0.00 42.46 37.83 2jci s ILE 434 CO 0.46 -0.47 1.37 -0.07 0.00 0.00 0.00 174.94 176.22 2jci h LEU 435 N 9.77 0.00 -7.33 2.97 3.38 -0.56 -3.29 115.31 120.25 2jci h LEU 435 Ca -0.25 0.00 0.32 0.00 0.09 0.00 0.00 57.88 58.04 2jci h LEU 435 Cb 1.09 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.73 2jci h LEU 435 CO 0.91 0.57 0.83 -0.83 0.09 0.00 0.00 178.44 180.01 2jci s GLY 436 N -4.52 -0.37 0.10 0.83 0.00 -1.23 -1.11 107.32 101.02 2jci s GLY 436 Ca 0.03 0.59 -0.26 0.00 0.00 0.00 0.00 44.72 45.07 2jci s GLY 436 CO 0.76 0.78 0.96 -0.11 0.00 0.00 0.00 173.10 175.50 2jci s PHE 437 N -2.39 -0.18 -0.13 1.90 -0.12 -1.26 -1.78 117.98 114.02 2jci s PHE 437 Ca 0.16 -0.07 0.01 0.00 -0.05 0.00 0.00 56.93 56.98 2jci s PHE 437 Cb 0.04 0.61 0.02 0.00 -0.63 0.00 0.00 43.02 43.05 2jci s PHE 437 CO -0.03 -0.72 -0.15 0.08 -0.05 0.00 0.00 175.22 174.35 2jci s VAL 438 N -3.18 1.52 -0.52 -2.49 1.01 0.97 -4.75 120.40 112.95 2jci s VAL 438 Ca 0.10 -0.63 0.24 0.00 0.00 0.00 0.00 61.98 61.69 2jci s VAL 438 Cb -0.01 -1.41 0.06 0.00 0.00 0.00 0.00 36.38 35.02 2jci s VAL 438 CO -0.01 0.45 1.27 1.23 0.00 0.00 0.00 175.10 178.04 2jci h GLY 439 N 7.70 0.00 0.00 4.51 0.00 -1.84 -2.19 103.07 111.25 2jci h GLY 439 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.99 2jci h GLY 439 CO 0.50 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.65 2jci n GLY 440 N 1.28 0.25 0.28 4.60 0.00 -1.13 0.30 105.19 110.77 2jci n GLY 440 Ca 0.02 -1.13 0.12 0.00 0.00 0.00 0.00 46.02 45.03 2jci n GLY 440 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2jci h ARG 441 N 0.00 0.00 0.00 1.61 2.47 -1.89 -3.44 114.38 113.12 2jci h ARG 441 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2jci h ARG 441 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 2jci h ARG 441 CO 0.00 0.02 0.00 -1.71 0.56 0.00 0.00 179.97 178.84 2jci n ASN 442 N -4.10 0.00 -0.33 7.04 4.05 -1.26 -4.77 115.26 115.90 2jci n ASN 442 Ca -0.03 0.00 0.06 0.00 0.45 0.00 0.00 54.58 55.06 2jci n ASN 442 Cb 0.11 0.00 0.14 0.00 1.23 0.00 0.00 39.78 41.26 2jci n ASN 442 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2jci n TYR 443 N 0.00 0.35 -0.17 1.20 4.19 -1.24 -0.95 117.16 120.54 2jci n TYR 443 Ca 0.00 1.11 -0.01 0.00 3.31 0.00 0.00 57.90 62.31 2jci n TYR 443 Cb 0.00 -1.05 0.07 0.00 0.49 0.00 0.00 39.34 38.86 2jci n TYR 443 CO 0.00 0.00 0.00 1.96 0.91 0.00 0.00 176.86 179.73 2jci h GLN 444 N 0.00 0.17 0.06 2.98 1.08 -2.00 -3.06 115.11 114.34 2jci h GLN 444 Ca 0.45 -0.01 -0.24 0.00 -1.45 0.00 0.00 58.65 57.40 2jci h GLN 444 Cb 0.71 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.10 2jci h GLN 444 CO -0.93 0.11 -1.10 0.93 -0.95 0.00 0.00 178.83 176.89 2jci h GLU 445 N 0.18 0.16 -3.11 1.46 5.08 -1.46 -3.45 114.58 113.43 2jci h GLU 445 Ca 0.27 -0.26 -0.19 0.00 -1.00 0.00 0.00 59.36 58.18 2jci h GLU 445 Cb 0.39 0.09 -0.29 0.00 0.50 0.00 0.00 28.75 29.45 2jci h GLU 445 CO -0.40 1.10 -0.49 1.21 -1.00 0.00 0.00 179.01 179.44 2jci s ASN 446 N -6.95 -0.23 0.00 1.42 3.84 -0.73 -5.06 114.94 107.22 2jci s ASN 446 Ca -0.02 0.47 0.19 0.00 0.21 0.00 0.00 52.86 53.71 2jci s ASN 446 Cb 0.09 0.40 0.05 0.00 -0.55 0.00 0.00 41.25 41.23 2jci s ASN 446 CO 0.85 -0.13 0.99 0.00 -2.79 0.00 0.00 177.10 176.02 2jci n GLN 447 N 3.81 1.58 -1.65 0.43 3.00 -1.22 -3.70 117.38 119.63 2jci n GLN 447 Ca -0.21 -1.13 -0.48 0.00 -0.01 0.00 0.00 57.00 55.16 2jci n GLN 447 Cb 0.55 -1.35 -0.05 0.00 0.00 0.00 0.00 30.24 29.39 2jci n GLN 447 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 2jci n ASN 448 N 0.31 2.63 -4.49 1.08 3.02 -1.26 -4.89 115.26 111.65 2jci n ASN 448 Ca 0.09 1.09 -0.42 0.00 -0.03 0.00 0.00 54.58 55.30 2jci n ASN 448 Cb 0.41 -1.34 -0.04 0.00 -0.61 0.00 0.00 39.78 38.21 2jci n ASN 448 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2jci s ASN 449 N 1.09 6.21 0.00 6.41 3.84 -1.26 -4.66 114.94 126.57 2jci s ASN 449 Ca 0.82 -0.71 0.30 0.00 0.21 0.00 0.00 52.86 53.48 2jci s ASN 449 Cb -0.78 -2.46 1.50 0.00 -0.55 0.00 0.00 41.25 38.97 2jci s ASN 449 CO 0.43 -1.49 2.04 1.41 -2.79 0.00 0.00 177.10 176.69 2jci n HIS 450 N 8.06 0.00 0.04 0.43 8.25 0.15 -1.68 115.22 130.46 2jci n HIS 450 Ca -0.01 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.28 2jci n HIS 450 Cb 0.47 -0.28 -0.14 0.00 1.12 0.00 0.00 29.99 31.16 2jci n HIS 450 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2jci h ALA 451 N 3.41 0.39 0.00 -1.41 0.00 -1.72 -3.40 119.26 116.53 2jci h ALA 451 Ca 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 54.91 53.67 2jci h ALA 451 Cb 0.27 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2jci h ALA 451 CO 0.00 1.25 -0.62 1.19 0.00 0.00 0.00 179.25 181.07 2jci n PHE 452 N -3.40 0.00 -0.05 0.00 3.72 -1.23 -2.15 117.46 114.35 2jci n PHE 452 Ca -0.21 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.10 2jci n PHE 452 Cb 1.05 -0.02 -0.04 0.00 -0.94 0.00 0.00 39.48 39.54 2jci n PHE 452 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2jci n ASP 453 N -1.32 1.05 -4.78 4.37 8.00 -0.68 -4.94 116.55 118.25 2jci n ASP 453 Ca -0.00 0.09 -0.36 0.00 0.71 0.00 0.00 54.79 55.24 2jci n ASP 453 Cb 0.03 -0.26 -0.02 0.00 -0.02 0.00 0.00 41.12 40.84 2jci n ASP 453 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2jci s THR 454 N -2.18 3.49 -0.12 -3.53 -4.23 -1.04 -4.90 115.64 103.14 2jci s THR 454 Ca -0.13 1.03 -0.00 0.00 -1.18 0.00 0.00 61.69 61.40 2jci s THR 454 Cb 0.05 -3.47 0.02 0.00 1.34 0.00 0.00 72.50 70.44 2jci s THR 454 CO 0.18 -0.10 -0.09 -0.54 -0.54 0.00 0.00 174.62 173.52 2jci s LYS 455 N -2.91 1.69 0.11 3.99 1.02 -1.26 -4.03 119.74 118.35 2jci s LYS 455 Ca 0.65 -0.32 0.03 0.00 0.02 0.00 0.00 55.97 56.35 2jci s LYS 455 Cb -0.22 -1.68 -0.04 0.00 -0.52 0.00 0.00 37.83 35.36 2jci s LYS 455 CO 0.27 -0.25 -0.09 1.03 -0.92 0.00 0.00 175.35 175.39 2jci s ARG 456 N 1.61 0.91 0.22 1.68 1.81 -0.91 -4.70 118.95 119.57 2jci s ARG 456 Ca 0.04 -1.31 -0.32 0.00 -1.72 0.00 0.00 55.73 52.42 2jci s ARG 456 Cb -0.13 -0.45 -0.12 0.00 -0.45 0.00 0.00 34.95 33.80 2jci s ARG 456 CO -0.08 0.04 1.66 0.45 -0.68 0.00 0.00 175.30 176.69 2jci n SER 457 N 0.11 3.75 0.00 0.23 2.88 -1.24 -1.89 113.62 117.46 2jci n SER 457 Ca -0.13 1.08 0.13 0.00 -1.33 0.00 0.00 58.87 58.63 2jci n SER 457 Cb 0.60 -1.54 0.65 0.00 -0.75 0.00 0.00 64.21 63.17 2jci n SER 457 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2jci n PRO 458 N 3.44 0.32 0.00 -1.46 -0.04 -1.26 -4.92 135.00 131.09 2jci n PRO 458 Ca 0.15 0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 2jci n PRO 458 Cb 0.34 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.30 2jci n PRO 458 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jci n ALA 459 N -1.32 0.00 -0.33 0.55 0.00 -1.26 -2.11 120.51 116.04 2jci n ALA 459 Ca 0.12 0.00 0.24 0.00 0.00 0.00 0.00 53.44 53.79 2jci n ALA 459 Cb 0.23 0.00 0.47 0.00 0.00 0.00 0.00 19.45 20.15 2jci n ALA 459 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2jci h SER 460 N 1.54 0.52 0.14 0.00 4.64 -1.77 0.00 113.55 118.62 2jci h SER 460 Ca 0.00 0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 2jci h SER 460 Cb 0.00 0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 2jci h SER 460 CO 0.00 -0.13 0.00 0.35 -0.87 0.00 0.00 176.83 176.18 2jci n THR 461 N -5.05 1.65 0.18 2.95 -2.24 -0.90 -2.00 114.28 108.87 2jci n THR 461 Ca 0.32 0.41 0.03 0.00 -2.27 0.00 0.00 64.05 62.54 2jci n THR 461 Cb 0.97 -1.34 0.35 0.00 -2.10 0.00 0.00 70.33 68.21 2jci n THR 461 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jci h THR 462 N 0.00 1.20 -0.56 4.28 1.03 -1.11 -3.38 112.91 114.37 2jci h THR 462 Ca 0.00 -1.40 -0.06 0.00 -0.01 0.00 0.00 66.41 64.94 2jci h THR 462 Cb 0.07 1.77 -0.02 0.00 -1.07 0.00 0.00 68.15 68.90 2jci h THR 462 CO 0.00 0.39 0.12 0.11 -0.01 0.00 0.00 175.52 176.13 2jci h LYS 463 N 0.00 0.90 -0.15 0.00 1.57 -1.51 -0.31 116.57 117.07 2jci h LYS 463 Ca -0.00 -0.23 -0.07 0.00 -1.87 0.00 0.00 60.65 58.48 2jci h LYS 463 Cb 0.74 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 2jci h LYS 463 CO 0.05 0.85 -0.23 -1.35 -0.57 0.00 0.00 179.45 178.21 2jci h PRO 464 N 0.80 0.26 0.21 3.15 0.11 -1.79 -1.54 132.00 133.20 2jci h PRO 464 Ca 0.17 -0.08 -0.35 0.00 0.11 0.00 0.00 66.00 65.86 2jci h PRO 464 Cb 0.37 -0.02 0.02 0.00 0.11 0.00 0.00 31.00 31.47 2jci h PRO 464 CO 0.00 0.48 -1.66 -0.07 -0.21 0.00 0.00 178.00 176.54 2jci h LEU 465 N 0.24 0.69 0.00 2.35 3.38 -1.60 0.86 115.31 121.22 2jci h LEU 465 Ca 0.04 -0.92 -0.16 0.00 0.09 0.00 0.00 57.88 56.93 2jci h LEU 465 Cb 0.54 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 2jci h LEU 465 CO 0.04 1.76 -1.77 -0.11 0.09 0.00 0.00 178.44 178.45 2jci n LEU 466 N -3.63 0.43 0.00 1.67 0.00 -0.19 -4.11 117.00 111.17 2jci n LEU 466 Ca -0.22 0.19 0.00 0.00 0.00 0.00 0.00 56.01 55.98 2jci n LEU 466 Cb 1.09 0.15 0.00 0.00 0.00 0.00 0.00 43.42 44.66 2jci n LEU 466 CO 0.54 0.17 0.00 0.00 0.00 0.00 0.00 177.39 178.10 2jci n ALA 467 N -2.43 2.65 -0.18 1.96 0.00 -0.82 -4.64 120.51 117.03 2jci n ALA 467 Ca -0.13 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2jci n ALA 467 Cb 0.83 0.00 0.25 0.00 0.00 0.00 0.00 19.45 20.53 2jci n ALA 467 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 2jci h TYR 468 N 0.00 0.90 -0.35 0.00 0.05 -1.48 -1.00 116.97 115.08 2jci h TYR 468 Ca 0.00 0.01 -0.15 0.00 0.05 0.00 0.00 58.73 58.64 2jci h TYR 468 Cb 0.00 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 37.44 2jci h TYR 468 CO 0.00 0.59 -0.37 0.78 -1.05 0.00 0.00 178.16 178.12 2jci h GLY 469 N 0.97 0.95 0.93 3.88 0.00 -0.98 -1.35 103.07 107.47 2jci h GLY 469 Ca 0.25 -0.98 -0.07 0.00 0.00 0.00 0.00 47.33 46.53 2jci h GLY 469 CO -0.05 0.88 -0.03 -2.22 0.00 0.00 0.00 176.54 175.13 2jci h ILE 470 N 0.67 1.27 -0.70 2.60 2.04 -1.62 -1.66 117.51 120.10 2jci h ILE 470 Ca 0.05 -1.05 -0.00 0.00 1.00 0.00 0.00 64.86 64.86 2jci h ILE 470 Cb 0.96 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 38.21 2jci h ILE 470 CO 0.09 0.35 0.43 0.00 0.00 0.00 0.00 178.15 179.02 2jci h ALA 471 N 0.85 1.44 -0.33 1.87 0.00 -1.15 -1.18 119.26 120.77 2jci h ALA 471 Ca 0.10 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 2jci h ALA 471 Cb 0.51 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2jci h ALA 471 CO 0.02 0.49 -0.30 0.82 0.00 0.00 0.00 179.25 180.28 2jci h ILE 472 N 0.96 1.28 0.00 0.00 2.04 -0.98 -1.66 117.51 119.15 2jci h ILE 472 Ca 0.25 -1.43 -0.10 0.00 1.00 0.00 0.00 64.86 64.59 2jci h ILE 472 Cb -0.06 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 2jci h ILE 472 CO -0.05 0.47 -0.46 -0.78 0.00 0.00 0.00 178.15 177.33 2jci h ASP 473 N 0.59 0.00 -0.45 1.72 3.58 -0.30 -2.65 116.42 118.92 2jci h ASP 473 Ca 0.07 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.52 2jci h ASP 473 Cb 0.81 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.86 2jci h ASP 473 CO 0.07 0.46 0.00 0.00 -2.88 0.00 0.00 179.24 176.88 2jci n GLN 474 N -3.85 2.32 -1.50 0.28 1.13 -0.55 -4.89 117.38 110.31 2jci n GLN 474 Ca -0.01 -1.72 -0.09 0.00 -1.94 0.00 0.00 57.00 53.24 2jci n GLN 474 Cb 0.50 -1.47 -0.03 0.00 0.11 0.00 0.00 30.24 29.35 2jci n GLN 474 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2jci n GLY 475 N 1.09 0.82 0.27 1.08 0.00 -1.00 -4.91 105.19 102.54 2jci n GLY 475 Ca 0.16 -0.58 0.10 0.00 0.00 0.00 0.00 46.02 45.69 2jci n GLY 475 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jci n LEU 476 N -1.13 1.51 -3.65 0.99 4.77 -0.65 -4.97 117.00 113.88 2jci n LEU 476 Ca -0.10 -0.65 -0.08 0.00 -0.03 0.00 0.00 56.01 55.15 2jci n LEU 476 Cb 0.38 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.45 2jci n LEU 476 CO 0.14 0.31 0.57 0.00 -1.33 0.00 0.00 177.39 177.07 2jci s MET 477 N -2.55 1.30 0.29 3.23 0.23 -1.19 -4.95 119.30 115.66 2jci s MET 477 Ca 0.13 -0.63 0.02 0.00 -1.03 0.00 0.00 55.69 54.19 2jci s MET 477 Cb 0.16 0.50 -0.04 0.00 -1.53 0.00 0.00 34.83 33.92 2jci s MET 477 CO 0.64 -0.58 0.13 0.20 -2.03 0.00 0.00 175.02 173.38 2jci s GLY 478 N -2.79 1.94 0.56 3.16 0.00 -1.26 -4.36 107.32 104.56 2jci s GLY 478 Ca 0.08 -1.78 0.25 0.00 0.00 0.00 0.00 44.72 43.26 2jci s GLY 478 CO -0.03 -1.60 2.07 1.48 0.00 0.00 0.00 173.10 175.02 2jci h SER 479 N 2.27 0.00 -0.16 1.64 4.64 -1.32 -0.56 113.55 120.06 2jci h SER 479 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 2jci h SER 479 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2jci h SER 479 CO 0.56 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.90 2jci n GLU 480 N -4.13 2.36 -1.57 4.77 -0.58 -1.26 -4.30 120.64 115.93 2jci n GLU 480 Ca 0.03 -2.55 -0.40 0.00 -0.42 0.00 0.00 57.16 53.82 2jci n GLU 480 Cb 0.38 -1.59 0.03 0.00 -0.57 0.00 0.00 31.44 29.68 2jci n GLU 480 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 2jci n THR 481 N -0.72 2.64 -3.57 2.62 -1.04 -0.22 -4.23 114.28 109.76 2jci n THR 481 Ca 0.17 -0.50 -0.37 0.00 -2.04 0.00 0.00 64.05 61.30 2jci n THR 481 Cb 0.70 -1.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.15 2jci n THR 481 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2jci s ILE 482 N -1.43 5.20 0.11 12.58 -1.09 -1.26 -2.12 121.20 133.19 2jci s ILE 482 Ca 0.67 0.65 0.08 0.00 -2.23 0.00 0.00 60.65 59.83 2jci s ILE 482 Cb -0.51 -3.64 -0.04 0.00 -1.58 0.00 0.00 42.46 36.70 2jci s ILE 482 CO 0.54 0.53 -0.21 -0.76 -1.23 0.00 0.00 174.94 173.81 2jci s LEU 483 N -0.61 2.32 0.12 2.97 1.02 0.20 -1.28 118.68 123.43 2jci s LEU 483 Ca 0.20 -0.72 -0.30 0.00 0.02 0.00 0.00 54.13 53.33 2jci s LEU 483 Cb -0.15 -0.89 -0.07 0.00 0.02 0.00 0.00 46.19 45.10 2jci s LEU 483 CO 0.09 0.05 1.13 -0.55 0.02 0.00 0.00 176.35 177.10 2jci s SER 484 N -2.04 7.19 -0.11 2.29 0.15 -0.05 -1.14 113.70 119.99 2jci s SER 484 Ca 0.08 2.05 0.15 0.00 0.70 0.00 0.00 55.95 58.93 2jci s SER 484 Cb -0.09 -2.59 0.24 0.00 -1.71 0.00 0.00 66.02 61.86 2jci s SER 484 CO 0.05 -0.32 1.12 -3.20 1.20 0.00 0.00 173.24 172.08 2jci n ASN 485 N 3.03 2.00 -4.76 5.45 4.05 -0.41 -3.30 115.26 121.32 2jci n ASN 485 Ca 0.05 -2.88 -0.39 0.00 0.45 0.00 0.00 54.58 51.82 2jci n ASN 485 Cb 0.46 -0.38 0.00 0.00 1.23 0.00 0.00 39.78 41.10 2jci n ASN 485 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 177.26 173.90 2jci s TYR 486 N -2.39 2.72 0.43 1.20 1.51 -1.24 -0.08 117.35 119.50 2jci s TYR 486 Ca 0.26 1.44 -0.23 0.00 -1.01 0.00 0.00 57.07 57.52 2jci s TYR 486 Cb 0.23 -3.62 -0.10 0.00 -0.11 0.00 0.00 41.96 38.36 2jci s TYR 486 CO 0.02 -2.10 0.92 -2.30 -1.11 0.00 0.00 175.55 170.98 2jci n PRO 487 N -0.29 1.16 -3.46 -1.71 -0.02 -1.25 -4.86 135.00 124.57 2jci n PRO 487 Ca 0.06 0.42 -0.11 0.00 -2.02 0.00 0.00 63.50 61.85 2jci n PRO 487 Cb 0.45 -1.94 -0.02 0.00 -0.02 0.00 0.00 33.50 31.96 2jci n PRO 487 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 2jci s THR 488 N -1.33 0.00 0.23 3.45 -1.32 -1.26 -4.97 115.64 110.43 2jci s THR 488 Ca 0.64 0.00 0.09 0.00 -1.21 0.00 0.00 61.69 61.21 2jci s THR 488 Cb -0.56 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.39 2jci s THR 488 CO 0.56 0.00 -0.04 0.20 -2.21 0.00 0.00 174.62 173.13 2jci s ASN 489 N -2.47 4.44 0.89 8.08 0.01 -1.26 -1.63 114.94 123.00 2jci s ASN 489 Ca 0.01 -0.61 -0.11 0.00 -0.71 0.00 0.00 52.86 51.44 2jci s ASN 489 Cb -0.01 -0.81 0.13 0.00 0.41 0.00 0.00 41.25 40.97 2jci s ASN 489 CO -0.09 0.05 1.09 -0.36 -1.51 0.00 0.00 177.10 176.28 2jci s PHE 490 N -2.06 2.29 0.47 2.20 0.08 0.64 -4.86 117.98 116.74 2jci s PHE 490 Ca 0.29 1.30 0.14 0.00 0.12 0.00 0.00 56.93 58.78 2jci s PHE 490 Cb -0.07 -3.15 1.10 0.00 -0.57 0.00 0.00 43.02 40.33 2jci s PHE 490 CO 0.18 -2.39 2.05 0.00 -0.10 0.00 0.00 175.22 174.96 2jci h ALA 491 N -1.55 2.00 0.00 5.36 0.00 -2.00 0.11 119.26 123.18 2jci h ALA 491 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2jci h ALA 491 Cb 1.28 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2jci h ALA 491 CO 0.54 -0.07 0.00 0.27 0.00 0.00 0.00 179.25 179.99 2jci n ASN 492 N -4.48 0.00 0.00 0.00 6.94 -1.26 -4.94 115.26 111.52 2jci n ASN 492 Ca 0.04 -0.77 0.00 0.00 -0.02 0.00 0.00 54.58 53.84 2jci n ASN 492 Cb 0.24 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.66 2jci n ASN 492 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2jci n GLY 493 N 0.38 3.00 3.74 4.83 0.00 0.37 -5.04 105.19 112.46 2jci n GLY 493 Ca 0.15 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2jci n GLY 493 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jci n ASN 494 N 0.20 3.96 -4.77 1.61 5.03 -1.26 -4.62 115.26 115.42 2jci n ASN 494 Ca 0.00 1.11 -0.39 0.00 0.87 0.00 0.00 54.58 56.17 2jci n ASN 494 Cb 0.00 -1.59 -0.03 0.00 -1.02 0.00 0.00 39.78 37.14 2jci n ASN 494 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 2jci s PRO 495 N 0.21 4.32 -0.07 3.52 0.04 -1.26 -0.26 135.00 141.50 2jci s PRO 495 Ca 0.69 1.87 -0.30 0.00 0.04 0.00 0.00 61.00 63.29 2jci s PRO 495 Cb -0.49 -2.91 -0.03 0.00 0.04 0.00 0.00 34.50 31.10 2jci s PRO 495 CO 0.41 -0.09 1.21 0.42 0.04 0.00 0.00 177.00 178.99 2jci s ILE 496 N -1.30 4.26 0.34 0.56 1.01 -0.65 -4.83 121.20 120.60 2jci s ILE 496 Ca 0.51 1.57 0.09 0.00 0.00 0.00 0.00 60.65 62.83 2jci s ILE 496 Cb -0.32 -4.01 -0.05 0.00 0.01 0.00 0.00 42.46 38.08 2jci s ILE 496 CO 0.41 -0.02 0.02 -0.04 0.00 0.00 0.00 174.94 175.31 2jci s MET 497 N 2.39 2.09 -0.22 2.79 -1.94 -1.26 -4.71 119.30 118.43 2jci s MET 497 Ca 0.56 -1.75 -0.03 0.00 -1.71 0.00 0.00 55.69 52.75 2jci s MET 497 Cb -0.24 -1.93 0.11 0.00 2.01 0.00 0.00 34.83 34.77 2jci s MET 497 CO 0.21 0.12 0.27 -0.47 -0.01 0.00 0.00 175.02 175.14 2jci s TYR 498 N -2.52 -0.43 0.00 -0.03 5.04 -0.96 -4.73 117.35 113.72 2jci s TYR 498 Ca 0.35 0.30 0.00 0.00 -2.44 0.00 0.00 57.07 55.28 2jci s TYR 498 Cb 0.00 -0.29 0.00 0.00 0.35 0.00 0.00 41.96 42.02 2jci s TYR 498 CO 0.19 -0.68 0.00 0.00 -1.34 0.00 0.00 175.55 173.73 2jci n ALA 499 N 5.33 0.00 1.12 3.97 0.00 -1.26 -1.38 120.51 128.29 2jci n ALA 499 Ca -0.05 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.42 2jci n ALA 499 Cb 0.49 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.03 2jci n ALA 499 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2jci n ASN 500 N 2.16 1.40 -4.70 0.00 3.02 -1.26 -4.94 115.26 110.94 2jci n ASN 500 Ca 0.00 -2.07 -0.35 0.00 -0.03 0.00 0.00 54.58 52.13 2jci n ASN 500 Cb 0.00 -0.26 -0.09 0.00 -0.61 0.00 0.00 39.78 38.83 2jci n ASN 500 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2jci s SER 501 N -0.76 5.47 0.00 6.41 0.15 -0.48 -4.98 113.70 119.52 2jci s SER 501 Ca 0.13 0.18 0.28 0.00 0.70 0.00 0.00 55.95 57.25 2jci s SER 501 Cb 0.08 -1.66 1.02 0.00 -1.71 0.00 0.00 66.02 63.76 2jci s SER 501 CO 0.07 0.35 1.74 0.29 1.20 0.00 0.00 173.24 176.90 2jci n LYS 502 N 2.34 0.53 0.00 5.44 5.02 -1.26 -2.27 118.16 127.96 2jci n LYS 502 Ca -0.19 -0.22 0.00 0.00 -2.02 0.00 0.00 58.31 55.88 2jci n LYS 502 Cb 0.54 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.05 2jci n LYS 502 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jci n GLY 503 N 1.35 3.56 0.00 0.72 0.00 -1.26 -3.76 105.19 105.80 2jci n GLY 503 Ca 0.12 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.35 2jci n GLY 503 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jci n THR 504 N -1.54 0.00 -2.08 2.61 -2.24 0.88 -4.77 114.28 107.15 2jci n THR 504 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2jci n THR 504 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2jci n THR 504 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jci n GLY 505 N 2.74 5.40 3.77 3.38 0.00 -1.26 -3.75 105.19 115.47 2jci n GLY 505 Ca 0.00 -1.17 -0.40 0.00 0.00 0.00 0.00 46.02 44.46 2jci n GLY 505 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2jci s MET 506 N 1.91 3.91 0.14 1.61 -1.94 -1.26 -1.29 119.30 122.39 2jci s MET 506 Ca 0.00 2.26 -0.09 0.00 -1.71 0.00 0.00 55.69 56.15 2jci s MET 506 Cb 0.00 -2.75 -0.01 0.00 2.01 0.00 0.00 34.83 34.08 2jci s MET 506 CO 0.00 -0.57 0.25 0.00 -0.01 0.00 0.00 175.02 174.69 2jci s MET 507 N -2.27 1.07 0.72 2.03 0.23 -0.29 -4.88 119.30 115.90 2jci s MET 507 Ca 0.57 -1.12 -0.12 0.00 -1.03 0.00 0.00 55.69 53.99 2jci s MET 507 Cb -0.40 0.36 0.03 0.00 -1.53 0.00 0.00 34.83 33.29 2jci s MET 507 CO 0.52 -0.38 1.10 0.95 -2.03 0.00 0.00 175.02 175.18 2jci s THR 508 N -3.94 3.33 0.27 3.16 -4.23 -1.26 -0.62 115.64 112.35 2jci s THR 508 Ca 0.14 0.51 -0.08 0.00 -1.18 0.00 0.00 61.69 61.08 2jci s THR 508 Cb 0.04 -3.02 0.42 0.00 1.34 0.00 0.00 72.50 71.28 2jci s THR 508 CO -0.03 -0.50 1.57 0.25 -0.54 0.00 0.00 174.62 175.38 2jci h LEU 509 N -0.64 -0.82 -0.83 4.79 5.85 -1.64 0.18 115.31 122.21 2jci h LEU 509 Ca -0.45 0.28 0.03 0.00 0.84 0.00 0.00 57.88 58.58 2jci h LEU 509 Cb 1.24 0.57 -0.05 0.00 0.37 0.00 0.00 40.66 42.78 2jci h LEU 509 CO 0.53 -0.31 0.54 1.23 -0.34 0.00 0.00 178.44 180.08 2jci h GLY 510 N 0.00 1.20 0.75 3.75 0.00 -1.89 0.34 103.07 107.22 2jci h GLY 510 Ca 0.47 -0.41 -0.10 0.00 0.00 0.00 0.00 47.33 47.28 2jci h GLY 510 CO -0.95 0.37 -0.32 -2.09 0.00 0.00 0.00 176.54 173.54 2jci h GLU 511 N 1.07 0.40 -0.75 4.80 4.81 -1.84 0.48 114.58 123.56 2jci h GLU 511 Ca 0.32 -0.29 0.11 0.00 -0.13 0.00 0.00 59.36 59.37 2jci h GLU 511 Cb -0.03 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.35 2jci h GLU 511 CO -0.10 0.92 0.49 0.00 -0.73 0.00 0.00 179.01 179.59 2jci h ALA 512 N 0.49 1.87 0.00 2.92 0.00 0.28 -2.30 119.26 122.53 2jci h ALA 512 Ca -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2jci h ALA 512 Cb 0.95 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2jci h ALA 512 CO 0.07 -0.04 -0.00 -0.07 0.00 0.00 0.00 179.25 179.21 2jci h LEU 513 N 0.61 -0.00 -1.03 0.00 3.38 -0.21 0.87 115.31 118.91 2jci h LEU 513 Ca 0.35 -0.87 0.03 0.00 0.09 0.00 0.00 57.88 57.49 2jci h LEU 513 Cb 0.54 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.23 2jci h LEU 513 CO -0.13 0.88 0.65 0.78 0.09 0.00 0.00 178.44 180.71 2jci h ASN 514 N -0.90 1.09 1.05 -0.43 -0.26 0.27 -2.06 115.58 114.33 2jci h ASN 514 Ca -0.00 -0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.73 2jci h ASN 514 Cb 0.87 -0.25 0.00 0.00 -1.06 0.00 0.00 38.32 37.88 2jci h ASN 514 CO 0.00 0.75 -0.83 1.88 -1.06 0.00 0.00 177.43 178.17 2jci h TYR 515 N 1.26 0.00 -4.14 1.19 -1.99 -1.56 -3.36 116.97 108.37 2jci h TYR 515 Ca 0.39 0.00 -0.25 0.00 2.00 0.00 0.00 58.73 60.87 2jci h TYR 515 Cb -0.02 0.00 0.09 0.00 2.00 0.00 0.00 36.73 38.81 2jci h TYR 515 CO -0.00 0.00 -0.44 0.45 -0.00 0.00 0.00 178.16 178.17 2jci n SER 516 N -2.57 -4.61 -4.72 3.88 2.88 0.22 -4.96 113.62 103.73 2jci n SER 516 Ca 0.01 -0.35 -0.31 0.00 -1.33 0.00 0.00 58.87 56.89 2jci n SER 516 Cb 0.52 -3.43 0.13 0.00 -0.75 0.00 0.00 64.21 60.68 2jci n SER 516 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 2jci s TRP 517 N -3.21 2.13 -0.24 0.66 0.52 -0.74 -5.00 118.94 113.06 2jci s TRP 517 Ca 0.35 1.61 0.01 0.00 0.02 0.00 0.00 56.10 58.10 2jci s TRP 517 Cb -0.15 -3.18 -0.18 0.00 -1.15 0.00 0.00 33.47 28.81 2jci s TRP 517 CO 0.47 -2.32 -0.15 0.09 0.02 0.00 0.00 176.95 175.06 2jci n ASN 518 N -3.88 1.97 -0.21 2.95 3.02 -1.26 -4.45 115.26 113.39 2jci n ASN 518 Ca 0.10 -0.10 0.01 0.00 -0.03 0.00 0.00 54.58 54.56 2jci n ASN 518 Cb 0.53 -0.44 0.12 0.00 -0.61 0.00 0.00 39.78 39.37 2jci n ASN 518 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 2jci h ILE 519 N 0.01 0.76 -0.85 2.41 2.04 -1.88 -1.66 117.51 118.33 2jci h ILE 519 Ca -0.56 -0.14 0.09 0.00 1.00 0.00 0.00 64.86 65.25 2jci h ILE 519 Cb 1.92 0.30 -0.06 0.00 -0.74 0.00 0.00 36.82 38.25 2jci h ILE 519 CO -0.07 0.08 0.55 -0.65 0.00 0.00 0.00 178.15 178.06 2jci h PRO 520 N 0.42 0.80 -0.10 2.37 0.11 -1.80 -1.39 132.00 132.41 2jci h PRO 520 Ca 0.32 -0.05 -0.16 0.00 0.11 0.00 0.00 66.00 66.22 2jci h PRO 520 Cb 0.41 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.33 2jci h PRO 520 CO -0.32 0.53 -0.62 0.00 -0.21 0.00 0.00 178.00 177.38 2jci h ALA 521 N 1.57 0.75 -0.49 -0.75 0.00 -1.66 -2.22 119.26 116.46 2jci h ALA 521 Ca 0.39 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 2jci h ALA 521 Cb 0.41 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2jci h ALA 521 CO -0.16 0.73 0.24 -0.92 0.00 0.00 0.00 179.25 179.14 2jci h TYR 522 N 0.26 0.70 -0.03 0.00 3.20 -0.87 -2.10 116.97 118.13 2jci h TYR 522 Ca -0.01 -0.03 -0.14 0.00 3.14 0.00 0.00 58.73 61.69 2jci h TYR 522 Cb 1.15 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 39.19 2jci h TYR 522 CO 0.03 0.55 -0.63 -1.49 -1.64 0.00 0.00 178.16 174.98 2jci h TRP 523 N 0.64 0.14 -0.72 -3.82 4.06 -1.20 -2.37 115.95 112.68 2jci h TRP 523 Ca 0.17 -0.06 -0.05 0.00 2.06 0.00 0.00 58.89 61.01 2jci h TRP 523 Cb 0.11 -0.02 -0.03 0.00 -1.00 0.00 0.00 29.16 28.21 2jci h TRP 523 CO -0.01 0.71 0.25 1.15 -3.56 0.00 0.00 178.44 176.98 2jci h THR 524 N 0.08 1.26 -0.10 1.49 2.02 -1.22 -0.16 112.91 116.27 2jci h THR 524 Ca -0.01 -0.87 -0.23 0.00 0.77 0.00 0.00 66.41 66.08 2jci h THR 524 Cb 1.14 0.45 0.01 0.00 -1.74 0.00 0.00 68.15 68.01 2jci h THR 524 CO 0.09 0.34 -0.83 0.22 0.37 0.00 0.00 175.52 175.71 2jci h TYR 525 N 1.06 0.96 -0.64 3.16 3.20 -1.22 -1.95 116.97 121.53 2jci h TYR 525 Ca 0.24 -0.45 0.02 0.00 3.14 0.00 0.00 58.73 61.68 2jci h TYR 525 Cb 0.28 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.37 2jci h TYR 525 CO 0.02 1.27 0.40 0.00 -1.64 0.00 0.00 178.16 178.21 2jci h ARG 526 N 0.45 0.78 -0.72 1.82 3.08 -1.28 -0.59 114.38 117.92 2jci h ARG 526 Ca -0.07 -0.05 0.10 0.00 0.07 0.00 0.00 59.98 60.04 2jci h ARG 526 Cb 1.46 -0.17 -0.08 0.00 0.08 0.00 0.00 29.97 31.26 2jci h ARG 526 CO 0.16 0.51 0.34 1.98 -1.07 0.00 0.00 179.97 181.90 2jci h MET 527 N 0.80 0.55 -0.48 0.04 4.05 -0.75 0.54 114.93 119.68 2jci h MET 527 Ca 0.25 -0.03 -0.05 0.00 -0.28 0.00 0.00 59.70 59.58 2jci h MET 527 Cb -0.01 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 30.65 2jci h MET 527 CO -0.09 0.36 0.09 -0.07 0.23 0.00 0.00 176.91 177.43 2jci h LEU 528 N 0.56 0.75 -0.23 3.39 3.38 -0.56 0.60 115.31 123.20 2jci h LEU 528 Ca 0.36 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 2jci h LEU 528 Cb 0.42 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2jci h LEU 528 CO -0.30 0.81 0.13 0.03 0.09 0.00 0.00 178.44 179.20 2jci h ARG 529 N 0.66 0.32 -0.20 1.13 3.08 -0.74 -1.31 114.38 117.32 2jci h ARG 529 Ca 0.15 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.16 2jci h ARG 529 Cb 0.38 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 2jci h ARG 529 CO 0.01 0.30 0.13 0.93 -1.07 0.00 0.00 179.97 180.27 2jci h GLU 530 N 0.26 0.25 -0.34 0.04 5.08 -0.12 0.10 114.58 119.85 2jci h GLU 530 Ca 0.08 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2jci h GLU 530 Cb 0.07 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2jci h GLU 530 CO -0.01 0.16 0.00 0.09 -1.00 0.00 0.00 179.01 178.25 2jci n ASN 531 N -4.51 2.15 -1.53 1.42 4.13 0.13 -4.97 115.26 112.09 2jci n ASN 531 Ca 0.00 -1.92 -0.17 0.00 1.68 0.00 0.00 54.58 54.17 2jci n ASN 531 Cb 0.09 -0.23 -0.06 0.00 -1.54 0.00 0.00 39.78 38.05 2jci n ASN 531 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2jci n GLY 532 N 1.18 1.14 3.73 7.41 0.00 0.36 -5.00 105.19 114.01 2jci n GLY 532 Ca 0.15 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 2jci n GLY 532 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2jci n VAL 533 N -2.92 0.65 -2.09 1.61 0.31 -0.54 -4.88 118.33 110.47 2jci n VAL 533 Ca -0.18 -0.16 -0.42 0.00 -0.01 0.00 0.00 64.34 63.56 2jci n VAL 533 Cb 0.60 -1.92 -0.01 0.00 -0.91 0.00 0.00 33.84 31.61 2jci n VAL 533 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2jci n ASP 534 N 2.78 4.24 -0.24 4.52 2.03 -1.26 -4.68 116.55 123.94 2jci n ASP 534 Ca 0.11 -2.86 -0.07 0.00 0.52 0.00 0.00 54.79 52.49 2jci n ASP 534 Cb 0.35 -1.68 0.06 0.00 -0.72 0.00 0.00 41.12 39.14 2jci n ASP 534 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 2jci h VAL 535 N 4.81 1.26 -0.77 5.18 2.07 -1.94 -2.33 116.25 124.52 2jci h VAL 535 Ca 0.49 -1.00 0.15 0.00 0.82 0.00 0.00 66.70 67.17 2jci h VAL 535 Cb 0.76 0.58 -0.10 0.00 -1.52 0.00 0.00 31.29 31.01 2jci h VAL 535 CO 1.68 0.38 0.29 0.50 0.02 0.00 0.00 177.57 180.43 2jci h LYS 536 N 1.04 0.40 -0.80 1.57 3.64 -2.00 -1.23 116.57 119.19 2jci h LYS 536 Ca 0.21 -0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.65 2jci h LYS 536 Cb 0.40 -0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 32.06 2jci h LYS 536 CO 0.01 0.26 0.47 0.78 -2.27 0.00 0.00 179.45 178.69 2jci h GLY 537 N 0.41 1.22 0.84 5.01 0.00 -1.81 0.15 103.07 108.89 2jci h GLY 537 Ca 0.43 -0.32 -0.00 0.00 0.00 0.00 0.00 47.33 47.44 2jci h GLY 537 CO -0.44 0.17 0.02 -0.97 0.00 0.00 0.00 176.54 175.32 2jci h TYR 538 N 0.81 0.09 -0.20 5.60 0.05 -1.19 -2.76 116.97 119.37 2jci h TYR 538 Ca 0.37 -0.01 -0.13 0.00 0.05 0.00 0.00 58.73 59.01 2jci h TYR 538 Cb 0.28 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 37.98 2jci h TYR 538 CO -0.06 0.23 -0.44 0.52 -1.05 0.00 0.00 178.16 177.36 2jci h MET 539 N -0.08 0.48 -0.33 4.88 2.86 -0.85 -2.90 114.93 118.99 2jci h MET 539 Ca 0.02 -0.26 -0.06 0.00 -2.06 0.00 0.00 59.70 57.34 2jci h MET 539 Cb 0.18 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 2jci h MET 539 CO -0.00 0.83 -0.06 0.93 1.06 0.00 0.00 176.91 179.67 2jci h GLU 540 N 0.39 0.53 0.00 1.72 5.08 -0.71 -1.86 114.58 119.74 2jci h GLU 540 Ca 0.03 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2jci h GLU 540 Cb 0.93 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.11 2jci h GLU 540 CO 0.08 0.60 0.00 0.87 -1.00 0.00 0.00 179.01 179.56 2jci h LYS 541 N 0.50 0.00 -0.46 2.33 1.57 -1.27 -0.32 116.57 118.91 2jci h LYS 541 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2jci h LYS 541 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 2jci h LYS 541 CO 0.02 0.00 0.00 -1.33 -0.57 0.00 0.00 179.45 177.57 2jci n MET 542 N -2.78 2.48 -0.83 3.15 2.81 -0.77 -4.97 117.12 116.21 2jci n MET 542 Ca 0.00 -2.25 0.00 0.00 -1.81 0.00 0.00 57.70 53.64 2jci n MET 542 Cb 0.21 -1.51 0.00 0.00 -0.71 0.00 0.00 33.22 31.21 2jci n MET 542 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2jci n GLY 543 N 1.51 0.52 3.74 3.03 0.00 -0.13 -4.78 105.19 109.07 2jci n GLY 543 Ca 0.20 -0.60 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 2jci n GLY 543 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jci s TYR 544 N -2.00 3.85 -0.34 1.61 1.51 -0.78 -5.01 117.35 116.20 2jci s TYR 544 Ca 0.00 1.78 -0.02 0.00 -1.01 0.00 0.00 57.07 57.82 2jci s TYR 544 Cb 0.00 -2.99 0.07 0.00 -0.11 0.00 0.00 41.96 38.93 2jci s TYR 544 CO 0.00 0.29 0.07 -1.21 -1.11 0.00 0.00 175.55 173.60 2jci s GLU 545 N -0.36 2.22 -0.13 -0.62 2.02 -1.26 -4.27 118.70 116.31 2jci s GLU 545 Ca 0.44 -1.49 0.02 0.00 0.02 0.00 0.00 54.97 53.95 2jci s GLU 545 Cb -0.24 -3.32 0.01 0.00 0.10 0.00 0.00 34.13 30.68 2jci s GLU 545 CO 0.29 -0.80 -0.18 0.42 0.02 0.00 0.00 175.26 175.02 2jci s ILE 546 N 1.19 1.76 -0.22 -1.63 1.01 -1.26 -4.84 121.20 117.22 2jci s ILE 546 Ca 0.01 -0.80 0.19 0.00 0.00 0.00 0.00 60.65 60.05 2jci s ILE 546 Cb -0.21 -1.59 0.04 0.00 0.01 0.00 0.00 42.46 40.71 2jci s ILE 546 CO -0.03 0.49 1.19 1.55 0.00 0.00 0.00 174.94 178.14 2jci h PRO 547 N 7.44 0.00 -3.15 2.79 0.13 -1.98 -3.43 132.00 133.79 2jci h PRO 547 Ca -0.33 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.42 2jci h PRO 547 Cb 1.18 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.92 2jci h PRO 547 CO 0.53 0.22 -0.72 -2.00 -0.23 0.00 0.00 178.00 175.79 2jci s GLU 548 N -3.10 -0.01 0.00 0.86 2.56 -1.26 -4.99 118.70 112.76 2jci s GLU 548 Ca 0.01 0.24 0.26 0.00 0.00 0.00 0.00 54.97 55.48 2jci s GLU 548 Cb 0.08 -0.96 0.66 0.00 2.00 0.00 0.00 34.13 35.92 2jci s GLU 548 CO 0.76 -0.46 1.52 0.66 -0.56 0.00 0.00 175.26 177.19 2jci n TYR 549 N 5.30 0.00 -2.59 5.30 4.02 -1.26 -4.53 117.16 123.39 2jci n TYR 549 Ca -0.05 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.42 2jci n TYR 549 Cb 0.50 -0.27 0.01 0.00 -0.02 0.00 0.00 39.34 39.56 2jci n TYR 549 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2jci n GLY 550 N 1.47 5.02 2.82 2.72 0.00 -1.26 -4.88 105.19 111.08 2jci n GLY 550 Ca 0.07 -2.34 -0.18 0.00 0.00 0.00 0.00 46.02 43.56 2jci n GLY 550 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jci s ILE 551 N -1.17 0.23 0.31 -0.61 1.01 -1.26 -5.05 121.20 114.66 2jci s ILE 551 Ca 0.37 0.08 0.15 0.00 0.00 0.00 0.00 60.65 61.24 2jci s ILE 551 Cb 0.09 -0.33 0.09 0.00 0.01 0.00 0.00 42.46 42.31 2jci s ILE 551 CO 0.04 0.17 1.78 -0.33 0.00 0.00 0.00 174.94 176.59 2jci h GLU 552 N 7.41 0.00 -0.64 2.79 5.08 -1.95 -2.17 114.58 125.10 2jci h GLU 552 Ca -0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 2jci h GLU 552 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 2jci h GLU 552 CO 0.43 0.41 0.00 -1.13 -1.00 0.00 0.00 179.01 177.73 2jci n SER 553 N -3.88 4.32 -0.20 1.42 3.41 -1.26 -4.56 113.62 112.87 2jci n SER 553 Ca -0.01 -2.48 -0.07 0.00 -0.26 0.00 0.00 58.87 56.05 2jci n SER 553 Cb 0.46 -0.56 0.03 0.00 -0.26 0.00 0.00 64.21 63.88 2jci n SER 553 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2jci h LEU 554 N 3.43 0.74 -1.45 1.04 5.85 -1.51 0.41 115.31 123.82 2jci h LEU 554 Ca 0.00 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.60 2jci h LEU 554 Cb 1.39 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.23 2jci h LEU 554 CO 0.26 0.65 0.01 -0.81 -0.34 0.00 0.00 178.44 178.21 2jci n PRO 555 N -4.56 0.14 -0.16 5.25 -0.04 -1.26 0.53 135.00 134.89 2jci n PRO 555 Ca 0.03 0.64 0.10 0.00 -0.04 0.00 0.00 63.50 64.24 2jci n PRO 555 Cb 0.11 -1.98 0.28 0.00 -0.04 0.00 0.00 33.50 31.87 2jci n PRO 555 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2jci n MET 556 N -2.27 2.14 -0.46 0.54 2.81 0.13 -3.88 117.12 116.14 2jci n MET 556 Ca -0.01 -1.73 0.00 0.00 -1.81 0.00 0.00 57.70 54.15 2jci n MET 556 Cb 0.05 -1.44 0.00 0.00 -0.71 0.00 0.00 33.22 31.12 2jci n MET 556 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2jci n GLY 557 N 1.32 0.74 3.73 3.03 0.00 0.19 -3.68 105.19 110.51 2jci n GLY 557 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2jci n GLY 557 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jci s GLY 558 N -1.58 1.84 -0.09 -0.02 0.00 -0.50 -2.50 107.32 104.47 2jci s GLY 558 Ca 0.00 1.34 0.00 0.00 0.00 0.00 0.00 44.72 46.06 2jci s GLY 558 CO 0.00 2.50 0.00 0.61 0.00 0.00 0.00 173.10 176.21 2jci n GLY 559 N 3.22 0.48 3.17 0.20 0.00 -1.26 -3.96 105.19 107.04 2jci n GLY 559 Ca 0.11 -0.64 -0.23 0.00 0.00 0.00 0.00 46.02 45.26 2jci n GLY 559 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jci s ILE 560 N -2.01 1.32 -0.15 -0.61 1.01 -1.04 -4.60 121.20 115.12 2jci s ILE 560 Ca 0.00 -0.96 -0.09 0.00 0.00 0.00 0.00 60.65 59.60 2jci s ILE 560 Cb 0.00 -1.15 0.05 0.00 0.01 0.00 0.00 42.46 41.37 2jci s ILE 560 CO 0.00 0.17 0.37 -1.61 0.00 0.00 0.00 174.94 173.87 2jci s GLU 561 N -0.92 0.35 0.03 2.79 2.02 -1.26 -3.73 118.70 117.99 2jci s GLU 561 Ca 0.05 0.71 -0.05 0.00 0.02 0.00 0.00 54.97 55.71 2jci s GLU 561 Cb -0.08 -0.03 -0.01 0.00 0.10 0.00 0.00 34.13 34.11 2jci s GLU 561 CO 0.01 -0.15 0.07 0.14 0.02 0.00 0.00 175.26 175.35 2jci s VAL 562 N 1.29 0.13 0.66 2.63 -7.23 -0.79 -4.80 120.40 112.29 2jci s VAL 562 Ca -0.09 -1.06 -0.10 0.00 -1.81 0.00 0.00 61.98 58.92 2jci s VAL 562 Cb -0.08 -0.78 0.00 0.00 0.56 0.00 0.00 36.38 36.08 2jci s VAL 562 CO -0.11 -0.58 1.03 0.42 -0.31 0.00 0.00 175.10 175.55 2jci s THR 563 N -2.36 3.73 0.34 5.32 -4.23 -1.26 -2.15 115.64 115.04 2jci s THR 563 Ca -0.07 0.42 0.03 0.00 -1.18 0.00 0.00 61.69 60.88 2jci s THR 563 Cb -0.03 -3.54 0.21 0.00 1.34 0.00 0.00 72.50 70.49 2jci s THR 563 CO -0.04 -0.67 1.94 0.58 -0.54 0.00 0.00 174.62 175.90 2jci h VAL 564 N -0.48 1.18 -0.52 2.29 2.07 -1.74 -1.66 116.25 117.40 2jci h VAL 564 Ca -0.45 -0.53 -0.12 0.00 0.82 0.00 0.00 66.70 66.42 2jci h VAL 564 Cb 1.24 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 2jci h VAL 564 CO 0.63 0.21 -0.14 0.00 0.02 0.00 0.00 177.57 178.29 2jci h ALA 565 N 1.53 0.72 -0.23 1.67 0.00 -1.79 -0.49 119.26 120.68 2jci h ALA 565 Ca 0.17 -0.37 -0.17 0.00 0.00 0.00 0.00 54.91 54.54 2jci h ALA 565 Cb 0.11 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2jci h ALA 565 CO -0.02 0.66 -0.54 0.37 0.00 0.00 0.00 179.25 179.72 2jci h GLN 566 N 0.88 0.77 -0.18 0.00 5.75 -1.84 -2.54 115.11 117.95 2jci h GLN 566 Ca 0.13 -0.52 -0.10 0.00 -0.15 0.00 0.00 58.65 58.00 2jci h GLN 566 Cb 0.72 0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.33 2jci h GLN 566 CO 0.06 1.15 -0.34 1.25 -2.65 0.00 0.00 178.83 178.29 2jci h HIS 567 N 0.51 0.43 -0.62 3.99 2.76 -1.12 -0.30 115.15 120.80 2jci h HIS 567 Ca -0.00 -0.11 0.01 0.00 -2.20 0.00 0.00 60.37 58.08 2jci h HIS 567 Cb 1.15 -0.10 -0.03 0.00 1.55 0.00 0.00 27.41 29.98 2jci h HIS 567 CO 0.08 0.68 0.41 1.15 -1.30 0.00 0.00 177.93 178.95 2jci h THR 568 N 0.32 1.14 0.00 6.26 2.02 -1.01 -0.45 112.91 121.19 2jci h THR 568 Ca 0.04 -0.28 -0.05 0.00 0.77 0.00 0.00 66.41 66.89 2jci h THR 568 Cb 0.76 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 2jci h THR 568 CO 0.06 0.15 -0.22 -1.13 0.37 0.00 0.00 175.52 174.75 2jci h ASN 569 N 0.81 0.00 0.80 4.18 -0.73 -0.62 0.45 115.58 120.47 2jci h ASN 569 Ca 0.23 0.00 -0.14 0.00 1.87 0.00 0.00 56.30 58.26 2jci h ASN 569 Cb -0.05 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.52 2jci h ASN 569 CO -0.06 0.22 -0.67 1.23 -0.37 0.00 0.00 177.43 177.79 2jci h GLY 570 N 0.81 0.00 1.98 1.57 0.00 -0.60 -2.97 103.07 103.86 2jci h GLY 570 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 2jci h GLY 570 CO 0.03 0.00 -0.63 -0.97 0.00 0.00 0.00 176.54 174.97 2jci h TYR 571 N 0.00 0.00 -0.80 5.60 -1.99 -0.78 -2.84 116.97 116.16 2jci h TYR 571 Ca -0.01 0.00 0.04 0.00 2.00 0.00 0.00 58.73 60.76 2jci h TYR 571 Cb 1.25 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 39.93 2jci h TYR 571 CO 0.00 0.61 0.53 0.37 -0.00 0.00 0.00 178.16 179.67 2jci h GLN 572 N 0.00 0.93 -0.14 4.88 -0.00 -0.88 -0.14 115.11 119.77 2jci h GLN 572 Ca -0.01 -0.06 -0.02 0.00 -0.00 0.00 0.00 58.65 58.57 2jci h GLN 572 Cb 1.47 -0.21 -0.01 0.00 0.00 0.00 0.00 27.48 28.74 2jci h GLN 572 CO 0.08 0.62 0.02 1.15 0.00 0.00 0.00 178.83 180.70 2jci h THR 573 N 0.96 1.22 -0.80 2.39 2.02 -1.35 0.36 112.91 117.71 2jci h THR 573 Ca 0.32 -0.69 0.01 0.00 0.77 0.00 0.00 66.41 66.82 2jci h THR 573 Cb 0.08 1.41 -0.04 0.00 -1.74 0.00 0.00 68.15 67.86 2jci h THR 573 CO -0.10 0.20 0.52 -0.07 0.37 0.00 0.00 175.52 176.45 2jci h LEU 574 N 0.01 0.92 -0.44 2.58 3.38 -1.39 0.12 115.31 120.49 2jci h LEU 574 Ca 0.04 -0.03 -0.18 0.00 0.09 0.00 0.00 57.88 57.81 2jci h LEU 574 Cb 0.29 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2jci h LEU 574 CO 0.00 0.67 -0.73 0.00 0.09 0.00 0.00 178.44 178.47 2jci h ALA 575 N 1.29 0.64 -0.28 1.53 0.00 -0.60 -3.05 119.26 118.79 2jci h ALA 575 Ca 0.29 -0.62 -0.18 0.00 0.00 0.00 0.00 54.91 54.40 2jci h ALA 575 Cb -0.12 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 17.52 2jci h ALA 575 CO -0.06 0.79 0.24 -1.71 0.00 0.00 0.00 179.25 178.50 2jci n ASN 576 N -3.81 5.69 -2.30 0.00 5.15 0.08 -4.80 115.26 115.27 2jci n ASN 576 Ca -0.04 -2.75 -0.15 0.00 -0.60 0.00 0.00 54.58 51.04 2jci n ASN 576 Cb 0.71 -1.03 -0.01 0.00 -0.53 0.00 0.00 39.78 38.91 2jci n ASN 576 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2jci n ASN 577 N 0.74 -4.52 0.00 1.20 5.03 -1.15 -2.34 115.26 114.22 2jci n ASN 577 Ca 0.17 0.16 0.00 0.00 0.87 0.00 0.00 54.58 55.78 2jci n ASN 577 Cb 0.58 -3.84 0.00 0.00 -1.02 0.00 0.00 39.78 35.49 2jci n ASN 577 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2jci n GLY 578 N -0.80 0.66 3.38 7.41 0.00 0.40 -4.18 105.19 112.05 2jci n GLY 578 Ca -0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 2jci n GLY 578 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jci s VAL 579 N -2.16 4.33 0.32 1.61 1.01 -0.99 -0.32 120.40 124.20 2jci s VAL 579 Ca 0.00 -0.69 -0.29 0.00 0.00 0.00 0.00 61.98 61.01 2jci s VAL 579 Cb 0.00 -3.29 -0.10 0.00 0.00 0.00 0.00 36.38 32.99 2jci s VAL 579 CO 0.00 -0.03 1.18 -0.47 0.00 0.00 0.00 175.10 175.78 2jci s TYR 580 N 1.54 3.32 -0.05 5.22 5.04 0.56 -4.59 117.35 128.39 2jci s TYR 580 Ca 0.03 1.58 0.02 0.00 -2.44 0.00 0.00 57.07 56.25 2jci s TYR 580 Cb -0.18 -3.44 0.02 0.00 0.35 0.00 0.00 41.96 38.71 2jci s TYR 580 CO 0.05 -1.12 -0.09 -1.01 -1.34 0.00 0.00 175.55 172.04 2jci s HIS 581 N -1.20 1.11 0.17 4.97 3.76 -1.26 -1.51 115.29 121.34 2jci s HIS 581 Ca 0.48 -0.37 -0.31 0.00 -0.15 0.00 0.00 55.06 54.71 2jci s HIS 581 Cb -0.34 -0.86 -0.09 0.00 1.11 0.00 0.00 32.58 32.39 2jci s HIS 581 CO 0.45 -0.22 1.49 -1.14 -0.85 0.00 0.00 174.74 174.46 2jci s GLN 582 N 0.70 4.26 0.49 1.40 0.74 -1.26 -4.32 119.66 121.66 2jci s GLN 582 Ca -0.12 2.26 -0.23 0.00 0.05 0.00 0.00 55.36 57.33 2jci s GLN 582 Cb -0.15 -3.17 -0.08 0.00 1.10 0.00 0.00 33.01 30.71 2jci s GLN 582 CO 0.02 -0.51 1.09 0.36 -0.55 0.00 0.00 175.29 175.70 2jci n LYS 583 N 3.58 1.39 -3.53 1.67 2.85 -1.26 -4.62 118.16 118.25 2jci n LYS 583 Ca 0.11 0.51 -0.17 0.00 -1.05 0.00 0.00 58.31 57.71 2jci n LYS 583 Cb 0.40 -2.21 -0.06 0.00 -0.65 0.00 0.00 35.03 32.51 2jci n LYS 583 CO 0.00 0.00 0.00 -3.38 -0.05 0.00 0.00 177.40 173.97 2jci s HIS 584 N -1.33 -0.63 -0.13 5.58 -3.43 -0.98 -4.97 115.29 109.39 2jci s HIS 584 Ca 0.67 1.10 0.09 0.00 -0.80 0.00 0.00 55.06 56.11 2jci s HIS 584 Cb -0.49 0.41 -0.12 0.00 -1.43 0.00 0.00 32.58 30.95 2jci s HIS 584 CO 0.54 -0.57 0.24 0.28 -2.00 0.00 0.00 174.74 173.22 2jci n VAL 585 N 0.95 0.00 -4.15 -5.38 0.31 -1.26 -1.62 118.33 107.17 2jci n VAL 585 Ca -0.18 -0.23 -0.34 0.00 -0.01 0.00 0.00 64.34 63.58 2jci n VAL 585 Cb 0.57 0.52 -0.11 0.00 -0.91 0.00 0.00 33.84 33.91 2jci n VAL 585 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2jci s ILE 586 N -2.35 4.40 -0.15 2.52 -1.09 -1.26 -1.44 121.20 121.83 2jci s ILE 586 Ca -0.01 -0.17 0.13 0.00 -2.23 0.00 0.00 60.65 58.36 2jci s ILE 586 Cb 0.06 -2.97 -0.18 0.00 -1.58 0.00 0.00 42.46 37.79 2jci s ILE 586 CO 0.36 0.47 0.04 -1.54 -1.23 0.00 0.00 174.94 173.04 2jci n SER 587 N 3.60 1.39 -3.75 3.58 3.41 0.15 -4.71 113.62 117.29 2jci n SER 587 Ca -0.17 -0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.31 2jci n SER 587 Cb 0.52 0.82 -0.10 0.00 -0.26 0.00 0.00 64.21 65.19 2jci n SER 587 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2jci s LYS 588 N -2.36 0.48 -0.19 4.33 2.20 -1.08 -0.69 119.74 122.43 2jci s LYS 588 Ca -0.08 0.38 0.01 0.00 -0.36 0.00 0.00 55.97 55.92 2jci s LYS 588 Cb 0.04 0.23 0.04 0.00 -1.51 0.00 0.00 37.83 36.63 2jci s LYS 588 CO 0.60 -0.08 -0.10 0.42 -0.36 0.00 0.00 175.35 175.83 2jci s ILE 589 N -0.09 1.57 -0.12 5.43 1.01 0.65 -0.03 121.20 129.61 2jci s ILE 589 Ca -0.03 -0.91 0.03 0.00 0.00 0.00 0.00 60.65 59.74 2jci s ILE 589 Cb -0.03 -1.63 0.01 0.00 0.01 0.00 0.00 42.46 40.82 2jci s ILE 589 CO 0.01 0.20 -0.20 -0.70 0.00 0.00 0.00 174.94 174.25 2jci s GLU 590 N 1.44 2.79 0.62 2.79 2.12 0.43 0.12 118.70 129.00 2jci s GLU 590 Ca -0.00 -0.77 -0.16 0.00 0.36 0.00 0.00 54.97 54.40 2jci s GLU 590 Cb -0.16 -2.24 -0.02 0.00 0.26 0.00 0.00 34.13 31.98 2jci s GLU 590 CO -0.08 0.01 1.10 0.00 -0.54 0.00 0.00 175.26 175.75 2jci s ALA 591 N 0.75 2.57 -0.69 6.30 0.00 0.13 0.60 121.76 131.42 2jci s ALA 591 Ca -0.10 0.55 0.09 0.00 0.00 0.00 0.00 51.96 52.51 2jci s ALA 591 Cb -0.16 -3.30 0.49 0.00 0.00 0.00 0.00 23.12 20.15 2jci s ALA 591 CO 0.01 -1.08 1.28 0.00 0.00 0.00 0.00 175.76 175.97 2jci n ALA 592 N -2.14 1.06 -0.47 0.00 0.00 -0.65 -1.70 120.51 116.61 2jci n ALA 592 Ca 0.10 0.08 0.10 0.00 0.00 0.00 0.00 53.44 53.71 2jci n ALA 592 Cb 0.52 -1.14 0.31 0.00 0.00 0.00 0.00 19.45 19.14 2jci n ALA 592 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2jci n ASP 593 N -1.80 4.09 0.00 0.00 5.68 -1.26 -4.95 116.55 118.31 2jci n ASP 593 Ca -0.00 -2.22 0.00 0.00 -0.50 0.00 0.00 54.79 52.07 2jci n ASP 593 Cb 0.02 -0.48 0.00 0.00 -1.14 0.00 0.00 41.12 39.52 2jci n ASP 593 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2jci n GLY 594 N 1.15 2.60 3.64 6.12 0.00 -0.69 -5.02 105.19 112.99 2jci n GLY 594 Ca 0.23 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.73 2jci n GLY 594 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jci n ARG 595 N -2.00 1.58 -3.07 1.61 1.74 -1.26 -4.81 116.66 110.45 2jci n ARG 595 Ca 0.00 0.55 -0.43 0.00 -0.77 0.00 0.00 57.85 57.20 2jci n ARG 595 Cb 0.00 -2.44 -0.06 0.00 -1.02 0.00 0.00 32.46 28.95 2jci n ARG 595 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2jci s VAL 596 N 4.74 4.75 -0.31 1.55 1.01 -1.26 0.17 120.40 131.05 2jci s VAL 596 Ca 0.99 -0.29 0.25 0.00 0.00 0.00 0.00 61.98 62.92 2jci s VAL 596 Cb -0.85 -4.36 0.33 0.00 0.00 0.00 0.00 36.38 31.51 2jci s VAL 596 CO 0.56 -0.88 1.68 0.58 0.00 0.00 0.00 175.10 177.03 2jci h VAL 597 N 5.90 0.05 -1.36 2.92 2.07 0.57 -3.44 116.25 122.97 2jci h VAL 597 Ca -0.27 -0.97 0.13 0.00 0.82 0.00 0.00 66.70 66.41 2jci h VAL 597 Cb 1.09 1.92 -0.25 0.00 -1.52 0.00 0.00 31.29 32.54 2jci h VAL 597 CO 1.00 0.03 0.25 -0.47 0.02 0.00 0.00 177.57 178.39 2jci s TYR 598 N -3.29 -0.71 -0.03 1.57 6.14 -1.15 -4.84 117.35 115.03 2jci s TYR 598 Ca 0.06 1.31 0.03 0.00 0.64 0.00 0.00 57.07 59.10 2jci s TYR 598 Cb 0.06 0.43 0.00 0.00 0.42 0.00 0.00 41.96 42.87 2jci s TYR 598 CO 0.65 -0.35 -0.11 -2.00 0.64 0.00 0.00 175.55 174.38 2jci s GLU 599 N 2.00 1.20 -0.10 4.97 2.12 -1.26 -0.25 118.70 127.37 2jci s GLU 599 Ca -0.06 -0.37 -0.35 0.00 0.36 0.00 0.00 54.97 54.55 2jci s GLU 599 Cb -0.06 -1.08 -0.13 0.00 0.26 0.00 0.00 34.13 33.13 2jci s GLU 599 CO -0.17 0.12 1.83 0.98 -0.54 0.00 0.00 175.26 177.49 2jci n TYR 600 N 3.35 2.28 -3.47 5.30 9.36 0.13 -4.98 117.16 129.13 2jci n TYR 600 Ca -0.19 0.10 -0.39 0.00 3.32 0.00 0.00 57.90 60.74 2jci n TYR 600 Cb 0.54 -2.62 -0.10 0.00 -0.63 0.00 0.00 39.34 36.52 2jci n TYR 600 CO 0.00 0.00 0.00 -0.65 0.22 0.00 0.00 176.86 176.43 2jci s GLN 601 N 3.74 3.99 -0.38 2.98 -0.21 -1.26 -5.05 119.66 123.47 2jci s GLN 601 Ca 0.93 -0.10 -0.41 0.00 0.02 0.00 0.00 55.36 55.79 2jci s GLN 601 Cb -0.75 -3.66 -0.16 0.00 1.00 0.00 0.00 33.01 29.44 2jci s GLN 601 CO 0.53 -0.24 1.91 -3.47 -2.12 0.00 0.00 175.29 171.90 2jci n ASP 602 N 5.22 1.80 -3.33 5.90 2.03 -1.26 -4.94 116.55 121.97 2jci n ASP 602 Ca -0.11 0.86 -0.26 0.00 0.52 0.00 0.00 54.79 55.80 2jci n ASP 602 Cb 0.51 -1.08 -0.08 0.00 -0.72 0.00 0.00 41.12 39.76 2jci n ASP 602 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2jci n LYS 603 N 6.28 1.61 -1.75 -0.67 4.01 -1.26 -5.12 118.16 121.26 2jci n LYS 603 Ca 0.37 -3.96 -0.42 0.00 -0.51 0.00 0.00 58.31 53.79 2jci n LYS 603 Cb 0.09 -1.77 -0.01 0.00 -0.51 0.00 0.00 35.03 32.83 2jci n LYS 603 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 2jci n PRO 604 N 1.20 2.70 -3.94 1.97 -0.04 -1.26 -4.81 135.00 130.83 2jci n PRO 604 Ca 0.26 0.96 -0.28 0.00 -0.04 0.00 0.00 63.50 64.39 2jci n PRO 604 Cb 0.46 -2.74 -0.17 0.00 -0.04 0.00 0.00 33.50 31.02 2jci n PRO 604 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2jci s VAL 605 N -0.14 1.22 -0.50 0.52 1.01 -0.57 -4.96 120.40 116.98 2jci s VAL 605 Ca 0.63 -0.50 -0.28 0.00 0.00 0.00 0.00 61.98 61.83 2jci s VAL 605 Cb -0.49 -1.25 0.00 0.00 0.00 0.00 0.00 36.38 34.64 2jci s VAL 605 CO 0.50 0.32 1.57 -1.58 0.00 0.00 0.00 175.10 175.91 2jci s GLN 606 N 1.62 3.23 -0.27 2.72 2.00 -1.26 -0.32 119.66 127.38 2jci s GLN 606 Ca 0.04 0.75 -0.15 0.00 -2.00 0.00 0.00 55.36 54.00 2jci s GLN 606 Cb -0.13 -4.17 -0.13 0.00 0.80 0.00 0.00 33.01 29.38 2jci s GLN 606 CO -0.09 -2.00 -0.27 0.28 -0.50 0.00 0.00 175.29 172.71 2jci n VAL 607 N 7.07 1.53 -4.22 1.34 0.31 0.57 -4.91 118.33 120.01 2jci n VAL 607 Ca 0.17 -0.32 -0.31 0.00 -0.01 0.00 0.00 64.34 63.86 2jci n VAL 607 Cb 0.49 -1.92 -0.09 0.00 -0.91 0.00 0.00 33.84 31.42 2jci n VAL 607 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 2jci s TYR 608 N -2.50 3.01 1.05 3.52 1.51 -1.09 -5.02 117.35 117.83 2jci s TYR 608 Ca -0.37 0.01 -0.14 0.00 -1.01 0.00 0.00 57.07 55.56 2jci s TYR 608 Cb 0.13 -1.59 0.13 0.00 -0.11 0.00 0.00 41.96 40.52 2jci s TYR 608 CO 0.50 0.46 0.56 -1.13 -1.11 0.00 0.00 175.55 174.83 2jci n SER 609 N 0.98 -1.66 0.21 2.29 3.41 -1.26 -4.51 113.62 113.08 2jci n SER 609 Ca -0.13 0.10 0.08 0.00 -0.26 0.00 0.00 58.87 58.66 2jci n SER 609 Cb 0.52 -1.19 0.46 0.00 -0.26 0.00 0.00 64.21 63.74 2jci n SER 609 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2jci h LYS 610 N -2.03 0.00 0.46 4.33 1.57 -1.95 -2.44 116.57 116.51 2jci h LYS 610 Ca -0.50 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.25 2jci h LYS 610 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.63 2jci h LYS 610 CO 0.40 0.28 -0.22 0.00 -0.57 0.00 0.00 179.45 179.34 2jci h ALA 611 N 1.72 -0.61 -0.88 3.86 0.00 -1.90 -2.12 119.26 119.32 2jci h ALA 611 Ca -0.00 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 54.81 2jci h ALA 611 Cb 0.69 0.24 -0.11 0.00 0.00 0.00 0.00 17.79 18.61 2jci h ALA 611 CO 0.04 -0.63 -0.52 2.41 0.00 0.00 0.00 179.25 180.55 2jci n THR 612 N -5.21 -0.60 -0.18 0.00 -1.04 -1.23 0.06 114.28 106.09 2jci n THR 612 Ca -0.09 2.17 -0.09 0.00 -2.04 0.00 0.00 64.05 64.00 2jci n THR 612 Cb 0.29 -2.68 0.01 0.00 -1.82 0.00 0.00 70.33 66.13 2jci n THR 612 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jci h ALA 613 N 0.40 0.66 -0.02 2.41 0.00 -1.41 0.43 119.26 121.72 2jci h ALA 613 Ca 0.14 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 2jci h ALA 613 Cb 0.36 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2jci h ALA 613 CO -0.82 0.35 -0.68 1.79 0.00 0.00 0.00 179.25 179.88 2jci h THR 614 N 0.69 1.45 -0.51 0.00 1.35 -1.15 0.01 112.91 114.75 2jci h THR 614 Ca 0.16 -2.23 -0.02 0.00 -0.55 0.00 0.00 66.41 63.77 2jci h THR 614 Cb 0.32 2.19 -0.02 0.00 -1.73 0.00 0.00 68.15 68.90 2jci h THR 614 CO -0.00 0.65 0.26 0.40 -0.25 0.00 0.00 175.52 176.57 2jci h ILE 615 N 0.08 1.19 -0.36 6.82 2.04 0.37 -2.70 117.51 124.95 2jci h ILE 615 Ca -0.01 -0.51 -0.01 0.00 1.00 0.00 0.00 64.86 65.32 2jci h ILE 615 Cb 1.21 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.87 2jci h ILE 615 CO 0.10 0.21 0.17 -0.03 0.00 0.00 0.00 178.15 178.59 2jci h MET 616 N 0.68 0.50 -0.68 2.37 4.05 0.43 -2.30 114.93 119.98 2jci h MET 616 Ca 0.18 -0.05 -0.03 0.00 -0.28 0.00 0.00 59.70 59.52 2jci h MET 616 Cb 0.10 -0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 30.76 2jci h MET 616 CO -0.02 0.39 0.32 1.96 0.23 0.00 0.00 176.91 179.79 2jci h GLN 617 N 0.50 0.98 -0.98 0.39 4.20 -0.70 -0.48 115.11 119.03 2jci h GLN 617 Ca 0.13 -0.15 0.01 0.00 0.06 0.00 0.00 58.65 58.70 2jci h GLN 617 Cb 0.06 -0.17 -0.05 0.00 0.30 0.00 0.00 27.48 27.62 2jci h GLN 617 CO -0.02 0.78 0.65 0.78 -0.67 0.00 0.00 178.83 180.35 2jci h GLY 618 N 0.95 1.38 1.02 3.46 0.00 -1.14 -0.29 103.07 108.44 2jci h GLY 618 Ca 0.23 -0.51 -0.14 0.00 0.00 0.00 0.00 47.33 46.91 2jci h GLY 618 CO -0.03 0.50 -0.37 1.41 0.00 0.00 0.00 176.54 178.05 2jci h LEU 619 N 1.32 0.81 -1.47 3.11 3.38 -1.18 -3.15 115.31 118.13 2jci h LEU 619 Ca 0.36 -0.50 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 2jci h LEU 619 Cb -0.14 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.37 2jci h LEU 619 CO -0.08 1.15 -0.13 -0.07 0.09 0.00 0.00 178.44 179.40 2jci h LEU 620 N 0.50 0.00 -0.59 1.67 3.38 -0.44 -1.72 115.31 118.10 2jci h LEU 620 Ca 0.03 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2jci h LEU 620 Cb 0.96 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 2jci h LEU 620 CO 0.09 0.13 0.30 -0.09 0.09 0.00 0.00 178.44 178.95 2jci h ARG 621 N 0.00 0.85 -0.05 1.13 2.43 -1.03 -2.85 114.38 114.86 2jci h ARG 621 Ca -0.00 -0.12 -0.15 0.00 -0.81 0.00 0.00 59.98 58.90 2jci h ARG 621 Cb 0.56 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 2jci h ARG 621 CO 0.02 0.68 -0.65 0.93 -1.51 0.00 0.00 179.97 179.44 2jci h GLU 622 N 0.81 0.21 -0.82 0.20 4.39 -1.36 -1.84 114.58 116.17 2jci h GLU 622 Ca 0.21 -0.16 0.09 0.00 0.34 0.00 0.00 59.36 59.84 2jci h GLU 622 Cb 0.10 0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 28.71 2jci h GLU 622 CO -0.03 0.78 0.47 0.28 -1.16 0.00 0.00 179.01 179.35 2jci h VAL 623 N 0.15 0.92 0.09 3.13 2.07 -1.20 0.10 116.25 121.51 2jci h VAL 623 Ca -0.01 -0.27 -0.25 0.00 0.82 0.00 0.00 66.70 66.98 2jci h VAL 623 Cb 1.17 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 2jci h VAL 623 CO 0.10 0.14 -1.16 -0.07 0.02 0.00 0.00 177.57 176.60 2jci h LEU 624 N 0.79 0.31 -0.08 2.57 3.38 -1.37 -3.33 115.31 117.59 2jci h LEU 624 Ca 0.39 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 2jci h LEU 624 Cb 0.34 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2jci h LEU 624 CO -0.24 1.25 -0.18 0.77 0.09 0.00 0.00 178.44 180.13 2jci h SER 625 N 0.06 0.00 0.93 -0.43 4.64 -0.68 -2.77 113.55 115.30 2jci h SER 625 Ca -0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 2jci h SER 625 Cb 1.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.98 2jci h SER 625 CO 0.18 0.18 0.00 0.77 -0.87 0.00 0.00 176.83 177.09 2jci h SER 626 N 0.00 0.00 -0.40 4.97 4.64 -0.93 -3.47 113.55 118.36 2jci h SER 626 Ca -0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 2jci h SER 626 Cb 1.11 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.15 2jci h SER 626 CO 0.02 0.00 -0.12 0.54 -0.87 0.00 0.00 176.83 176.41 2jci n ARG 627 N -2.55 -1.79 -0.10 4.77 3.00 -1.05 -4.87 116.66 114.07 2jci n ARG 627 Ca 0.02 0.66 -0.09 0.00 -0.01 0.00 0.00 57.85 58.42 2jci n ARG 627 Cb 0.28 -4.93 -0.02 0.00 0.00 0.00 0.00 32.46 27.80 2jci n ARG 627 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2jci h VAL 628 N 0.00 1.15 -0.24 1.55 2.07 -1.82 -3.24 116.25 115.73 2jci h VAL 628 Ca -0.13 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 66.96 2jci h VAL 628 Cb 0.98 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 2jci h VAL 628 CO 0.19 0.16 0.00 0.35 0.02 0.00 0.00 177.57 178.29 2jci n THR 629 N -4.76 0.64 -3.62 2.57 -2.24 -1.26 -5.01 114.28 100.60 2jci n THR 629 Ca -0.01 -0.82 -0.14 0.00 -2.27 0.00 0.00 64.05 60.81 2jci n THR 629 Cb 0.10 0.77 -0.07 0.00 -2.10 0.00 0.00 70.33 69.03 2jci n THR 629 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2jci s THR 630 N -0.99 0.00 -2.05 4.28 -1.32 -1.22 -4.28 115.64 110.06 2jci s THR 630 Ca 0.20 -0.00 0.12 0.00 -1.21 0.00 0.00 61.69 60.80 2jci s THR 630 Cb 0.12 -1.00 0.31 0.00 -1.51 0.00 0.00 72.50 70.42 2jci s THR 630 CO 0.16 -0.00 1.30 0.35 -2.21 0.00 0.00 174.62 174.22 2jci n THR 631 N 2.58 0.34 -0.16 5.08 -2.24 -0.80 -4.28 114.28 114.79 2jci n THR 631 Ca -0.14 -0.37 -0.04 0.00 -2.27 0.00 0.00 64.05 61.23 2jci n THR 631 Cb 0.55 0.21 0.02 0.00 -2.10 0.00 0.00 70.33 69.01 2jci n THR 631 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2jci h PHE 632 N 1.73 -0.62 -0.83 4.78 3.04 -1.82 0.12 116.94 123.35 2jci h PHE 632 Ca 0.00 0.06 0.01 0.00 3.98 0.00 0.00 57.97 62.02 2jci h PHE 632 Cb 0.39 0.35 -0.04 0.00 2.56 0.00 0.00 35.95 39.21 2jci h PHE 632 CO 0.17 -0.32 0.55 0.87 -2.02 0.00 0.00 178.31 177.56 2jci h LYS 633 N -0.13 1.08 -0.18 1.11 1.79 -1.83 0.18 116.57 118.61 2jci h LYS 633 Ca 0.23 -0.07 -0.01 0.00 -2.18 0.00 0.00 60.65 58.62 2jci h LYS 633 Cb 0.49 -0.24 -0.01 0.00 -1.58 0.00 0.00 32.23 30.89 2jci h LYS 633 CO -0.58 0.72 0.07 0.77 -1.08 0.00 0.00 179.45 179.35 2jci h SER 634 N 1.11 0.24 -0.77 0.86 0.02 -1.38 0.19 113.55 113.82 2jci h SER 634 Ca 0.31 -0.16 0.02 0.00 -0.84 0.00 0.00 61.79 61.11 2jci h SER 634 Cb -0.12 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 62.32 2jci h SER 634 CO -0.07 0.34 0.50 0.78 -1.14 0.00 0.00 176.83 177.24 2jci h ASN 635 N 0.13 0.84 0.52 3.07 2.35 -0.75 -2.42 115.58 119.33 2jci h ASN 635 Ca 0.06 -0.01 -0.18 0.00 -0.55 0.00 0.00 56.30 55.61 2jci h ASN 635 Cb 0.17 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 2jci h ASN 635 CO -0.00 0.60 -0.79 0.25 -1.65 0.00 0.00 177.43 175.83 2jci h LEU 636 N 1.00 0.25 -0.71 1.61 5.85 -0.40 -2.58 115.31 120.33 2jci h LEU 636 Ca 0.29 -0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.84 2jci h LEU 636 Cb -0.05 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 2jci h LEU 636 CO -0.09 0.94 0.46 0.74 -0.34 0.00 0.00 178.44 180.16 2jci h THR 637 N 0.13 1.15 0.00 1.05 2.02 -0.18 0.45 112.91 117.52 2jci h THR 637 Ca -0.03 -0.32 -0.12 0.00 0.77 0.00 0.00 66.41 66.72 2jci h THR 637 Cb 1.38 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 2jci h THR 637 CO 0.12 0.17 -0.56 0.28 0.37 0.00 0.00 175.52 175.90 2jci h SER 638 N 0.92 0.00 0.95 4.18 0.02 -1.30 -2.68 113.55 115.63 2jci h SER 638 Ca 0.27 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 61.01 2jci h SER 638 Cb -0.06 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.45 2jci h SER 638 CO -0.08 0.56 -1.10 -0.07 -1.14 0.00 0.00 176.83 175.00 2jci h LEU 639 N 0.00 0.00 -5.01 5.07 3.38 -1.00 -3.44 115.31 114.31 2jci h LEU 639 Ca -0.01 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 2jci h LEU 639 Cb 1.04 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.64 2jci h LEU 639 CO 0.07 0.91 -0.31 0.21 0.09 0.00 0.00 178.44 179.41 2jci s ASN 640 N -6.50 -0.87 0.53 -0.43 3.04 0.09 -5.01 114.94 105.78 2jci s ASN 640 Ca 0.00 -1.04 0.21 0.00 0.04 0.00 0.00 52.86 52.07 2jci s ASN 640 Cb 0.09 1.14 1.34 0.00 -1.54 0.00 0.00 41.25 42.28 2jci s ASN 640 CO 0.81 -0.03 2.06 1.55 -3.04 0.00 0.00 177.10 178.45 2jci h PRO 641 N 4.62 0.00 0.05 0.43 0.13 -1.61 -1.08 132.00 134.56 2jci h PRO 641 Ca 0.03 -0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.15 2jci h PRO 641 Cb 1.14 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2jci h PRO 641 CO -0.05 0.00 -0.03 1.15 -0.23 0.00 0.00 178.00 178.85 2jci h THR 642 N 0.00 1.24 -0.94 1.56 2.02 -1.91 -2.99 112.91 111.90 2jci h THR 642 Ca 0.14 -1.07 0.14 0.00 0.77 0.00 0.00 66.41 66.40 2jci h THR 642 Cb 0.57 1.94 -0.08 0.00 -1.74 0.00 0.00 68.15 68.83 2jci h THR 642 CO -0.00 0.26 0.60 0.25 0.37 0.00 0.00 175.52 177.00 2jci h LEU 643 N -0.56 0.76 -2.81 2.58 5.85 -1.78 -2.17 115.31 117.18 2jci h LEU 643 Ca -0.01 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 2jci h LEU 643 Cb 0.49 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.42 2jci h LEU 643 CO 0.01 0.38 -0.00 0.00 -0.34 0.00 0.00 178.44 178.49 2jci h ALA 644 N 1.58 1.15 -0.01 1.25 0.00 -1.07 -1.35 119.26 120.80 2jci h ALA 644 Ca 0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.39 2jci h ALA 644 Cb 0.66 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2jci h ALA 644 CO -0.24 0.00 -0.16 0.09 0.00 0.00 0.00 179.25 178.94 2jci n ASN 645 N -3.31 1.44 -4.41 0.00 3.02 -0.82 -4.85 115.26 106.34 2jci n ASN 645 Ca -0.03 -1.26 -0.31 0.00 -0.03 0.00 0.00 54.58 52.95 2jci n ASN 645 Cb 0.08 0.10 0.18 0.00 -0.61 0.00 0.00 39.78 39.54 2jci n ASN 645 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jci n ALA 646 N -0.13 -3.09 -2.91 5.41 0.00 -0.51 -4.89 120.51 114.37 2jci n ALA 646 Ca 0.15 -1.03 -0.44 0.00 0.00 0.00 0.00 53.44 52.12 2jci n ALA 646 Cb 0.38 -1.79 0.00 0.00 0.00 0.00 0.00 19.45 18.04 2jci n ALA 646 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2jci n ASP 647 N -2.80 5.32 -4.72 0.00 2.03 -1.26 -4.98 116.55 110.14 2jci n ASP 647 Ca 0.04 -3.03 -0.41 0.00 0.52 0.00 0.00 54.79 51.90 2jci n ASP 647 Cb 0.57 -1.51 -0.04 0.00 -0.72 0.00 0.00 41.12 39.42 2jci n ASP 647 CO 0.00 0.00 0.00 0.26 -1.92 0.00 0.00 177.20 175.54 2jci s TRP 648 N 0.65 3.70 0.25 -0.67 0.52 -1.26 -4.39 118.94 117.73 2jci s TRP 648 Ca 0.40 1.65 0.08 0.00 0.02 0.00 0.00 56.10 58.25 2jci s TRP 648 Cb -0.02 -3.03 -0.05 0.00 -1.15 0.00 0.00 33.47 29.22 2jci s TRP 648 CO -0.01 0.09 -0.12 0.96 0.02 0.00 0.00 176.95 177.89 2jci s ILE 649 N 0.61 1.81 -0.11 2.03 -4.36 -0.18 -4.57 121.20 116.43 2jci s ILE 649 Ca 0.48 -2.20 -0.33 0.00 -0.26 0.00 0.00 60.65 58.33 2jci s ILE 649 Cb -0.21 -2.24 0.14 0.00 1.25 0.00 0.00 42.46 41.40 2jci s ILE 649 CO 0.27 -0.45 1.39 -0.83 0.24 0.00 0.00 174.94 175.55 2jci s GLY 650 N -3.39 -0.43 -0.05 6.27 0.00 -1.11 -1.15 107.32 107.45 2jci s GLY 650 Ca 0.26 1.06 -0.06 0.00 0.00 0.00 0.00 44.72 45.98 2jci s GLY 650 CO 0.10 0.24 0.17 1.25 0.00 0.00 0.00 173.10 174.86 2jci s LYS 651 N -2.14 0.26 0.41 2.90 2.47 -0.87 -4.52 119.74 118.24 2jci s LYS 651 Ca 0.14 0.11 0.04 0.00 -1.56 0.00 0.00 55.97 54.70 2jci s LYS 651 Cb 0.06 0.12 -0.00 0.00 -1.46 0.00 0.00 37.83 36.54 2jci s LYS 651 CO -0.05 -0.04 0.58 0.95 0.16 0.00 0.00 175.35 176.95 2jci s THR 652 N -0.21 3.83 -0.02 3.43 -4.23 -1.26 -0.70 115.64 116.48 2jci s THR 652 Ca -0.03 -0.77 -0.02 0.00 -1.18 0.00 0.00 61.69 59.69 2jci s THR 652 Cb -0.02 -3.36 0.00 0.00 1.34 0.00 0.00 72.50 70.45 2jci s THR 652 CO 0.01 -0.20 0.05 -0.83 -0.54 0.00 0.00 174.62 173.11 2jci s GLY 653 N -4.23 -0.02 -0.04 3.99 0.00 0.21 -3.43 107.32 103.80 2jci s GLY 653 Ca 0.48 0.10 -0.01 0.00 0.00 0.00 0.00 44.72 45.28 2jci s GLY 653 CO 0.35 0.07 0.04 -1.59 0.00 0.00 0.00 173.10 171.97 2jci s THR 654 N -0.08 -0.01 0.81 0.90 2.01 -1.26 -0.80 115.64 117.19 2jci s THR 654 Ca -0.01 0.34 -0.11 0.00 0.31 0.00 0.00 61.69 62.22 2jci s THR 654 Cb -0.01 -0.20 0.08 0.00 0.01 0.00 0.00 72.50 72.37 2jci s THR 654 CO 0.00 0.18 1.12 -0.89 -0.69 0.00 0.00 174.62 174.34 2jci s THR 655 N 1.93 2.86 0.49 -0.82 2.01 -0.62 -4.43 115.64 117.06 2jci s THR 655 Ca 0.02 0.30 0.15 0.00 0.31 0.00 0.00 61.69 62.47 2jci s THR 655 Cb -0.12 -2.64 0.25 0.00 0.01 0.00 0.00 72.50 69.99 2jci s THR 655 CO -0.03 -0.35 2.10 0.78 -0.69 0.00 0.00 174.62 176.43 2jci h ASN 656 N -1.22 0.03 -0.22 3.53 2.35 -1.97 -0.59 115.58 117.50 2jci h ASN 656 Ca -0.44 -0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.24 2jci h ASN 656 Cb 1.25 -0.01 -0.04 0.00 0.05 0.00 0.00 38.32 39.57 2jci h ASN 656 CO 0.48 0.07 -0.10 0.00 -1.65 0.00 0.00 177.43 176.24 2jci n GLN 657 N -4.48 2.01 -2.19 0.81 1.13 -1.26 -4.95 117.38 108.46 2jci n GLN 657 Ca -0.03 -3.00 -0.20 0.00 -1.94 0.00 0.00 57.00 51.83 2jci n GLN 657 Cb 0.13 -1.74 -0.03 0.00 0.11 0.00 0.00 30.24 28.71 2jci n GLN 657 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 2jci n ASP 658 N -1.01 -5.70 0.13 1.08 10.43 -0.23 -4.49 116.55 116.76 2jci n ASP 658 Ca 0.25 0.11 -0.02 0.00 2.57 0.00 0.00 54.79 57.71 2jci n ASP 658 Cb 0.88 -4.78 0.21 0.00 1.84 0.00 0.00 41.12 39.26 2jci n ASP 658 CO 0.00 0.00 0.00 -0.33 -1.07 0.00 0.00 177.20 175.80 2jci h GLU 659 N 0.00 0.10 -3.68 -1.24 3.07 -1.86 -0.69 114.58 110.29 2jci h GLU 659 Ca -0.47 -0.06 -0.25 0.00 -0.50 0.00 0.00 59.36 58.08 2jci h GLU 659 Cb 1.35 0.01 -0.30 0.00 -0.84 0.00 0.00 28.75 28.97 2jci h GLU 659 CO 0.58 0.60 -0.72 -0.80 -1.40 0.00 0.00 179.01 177.27 2jci s ASN 660 N -6.88 0.04 -0.06 1.42 0.01 -1.26 -4.38 114.94 103.82 2jci s ASN 660 Ca -0.03 0.01 0.05 0.00 -0.71 0.00 0.00 52.86 52.18 2jci s ASN 660 Cb 0.13 -0.02 -0.01 0.00 0.41 0.00 0.00 41.25 41.76 2jci s ASN 660 CO 0.77 -0.04 -0.23 -0.04 -1.51 0.00 0.00 177.10 176.05 2jci s MET 661 N 0.31 2.51 0.03 -0.60 -1.94 -0.78 -1.58 119.30 117.24 2jci s MET 661 Ca -0.03 -0.85 0.07 0.00 -1.71 0.00 0.00 55.69 53.18 2jci s MET 661 Cb -0.04 -2.08 -0.02 0.00 2.01 0.00 0.00 34.83 34.70 2jci s MET 661 CO -0.01 0.32 -0.22 -1.58 -0.01 0.00 0.00 175.02 173.52 2jci s TRP 662 N -0.03 1.93 -0.07 -0.03 0.52 0.02 -1.59 118.94 119.69 2jci s TRP 662 Ca -0.06 -0.38 0.00 0.00 0.02 0.00 0.00 56.10 55.68 2jci s TRP 662 Cb -0.14 -1.18 0.02 0.00 -1.15 0.00 0.00 33.47 31.02 2jci s TRP 662 CO 0.04 0.06 -0.04 -1.17 0.02 0.00 0.00 176.95 175.86 2jci s LEU 663 N -1.01 1.12 -0.16 2.99 0.20 -0.05 -0.62 118.68 121.15 2jci s LEU 663 Ca 0.08 -0.16 -0.01 0.00 0.69 0.00 0.00 54.13 54.73 2jci s LEU 663 Cb -0.09 -0.55 -0.01 0.00 -0.43 0.00 0.00 46.19 45.11 2jci s LEU 663 CO 0.01 -0.10 -0.10 -0.04 -0.29 0.00 0.00 176.35 175.83 2jci s MET 664 N 1.33 3.36 -0.00 1.98 -1.94 0.13 -1.40 119.30 122.76 2jci s MET 664 Ca -0.04 -0.67 0.08 0.00 -1.71 0.00 0.00 55.69 53.35 2jci s MET 664 Cb -0.14 -2.76 -0.02 0.00 2.01 0.00 0.00 34.83 33.92 2jci s MET 664 CO -0.03 0.05 -0.25 -0.51 -0.01 0.00 0.00 175.02 174.28 2jci s LEU 665 N 0.78 2.16 0.02 -0.03 1.43 -0.34 -2.05 118.68 120.66 2jci s LEU 665 Ca -0.04 -0.48 0.02 0.00 -1.03 0.00 0.00 54.13 52.61 2jci s LEU 665 Cb -0.15 -1.35 -0.01 0.00 0.03 0.00 0.00 46.19 44.70 2jci s LEU 665 CO 0.01 0.30 -0.08 -0.44 0.23 0.00 0.00 176.35 176.37 2jci s SER 666 N -0.83 0.92 0.53 2.29 0.01 -0.30 -0.40 113.70 115.93 2jci s SER 666 Ca 0.11 -0.31 0.08 0.00 1.31 0.00 0.00 55.95 57.14 2jci s SER 666 Cb -0.10 -0.05 0.05 0.00 0.21 0.00 0.00 66.02 66.13 2jci s SER 666 CO 0.00 -0.02 0.57 0.42 0.41 0.00 0.00 173.24 174.62 2jci s THR 667 N -0.65 2.05 0.48 1.44 -4.23 -0.69 -1.01 115.64 113.03 2jci s THR 667 Ca -0.02 -1.25 0.15 0.00 -1.18 0.00 0.00 61.69 59.40 2jci s THR 667 Cb -0.06 -2.29 0.23 0.00 1.34 0.00 0.00 72.50 71.72 2jci s THR 667 CO 0.00 0.00 2.07 -0.65 -0.54 0.00 0.00 174.62 175.51 2jci h PRO 668 N 0.54 0.01 0.15 3.99 0.11 -1.82 -3.14 132.00 131.84 2jci h PRO 668 Ca -0.35 -0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.55 2jci h PRO 668 Cb 1.29 -0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.42 2jci h PRO 668 CO 0.50 0.09 -0.94 0.00 -0.21 0.00 0.00 178.00 177.44 2jci h ARG 669 N 0.01 0.32 -6.37 1.05 3.08 -1.91 -3.44 114.38 107.11 2jci h ARG 669 Ca 0.00 -0.54 -0.61 0.00 0.07 0.00 0.00 59.98 58.89 2jci h ARG 669 Cb 0.15 0.20 -0.18 0.00 0.08 0.00 0.00 29.97 30.23 2jci h ARG 669 CO 0.01 1.26 -0.80 -0.51 -1.07 0.00 0.00 179.97 178.86 2jci s LEU 670 N -7.82 2.46 -0.03 3.04 1.43 -1.19 -0.14 118.68 116.43 2jci s LEU 670 Ca -0.14 -0.89 0.05 0.00 -1.03 0.00 0.00 54.13 52.12 2jci s LEU 670 Cb 0.02 -1.07 -0.01 0.00 0.03 0.00 0.00 46.19 45.16 2jci s LEU 670 CO 0.84 0.07 -0.17 -0.89 0.23 0.00 0.00 176.35 176.42 2jci s THR 671 N -1.90 1.41 -0.19 5.49 2.01 0.02 -1.70 115.64 120.78 2jci s THR 671 Ca 0.21 -0.73 0.00 0.00 0.31 0.00 0.00 61.69 61.48 2jci s THR 671 Cb -0.07 -1.20 0.05 0.00 0.01 0.00 0.00 72.50 71.29 2jci s THR 671 CO 0.10 0.40 -0.07 -0.22 -0.69 0.00 0.00 174.62 174.14 2jci s LEU 672 N -0.14 2.02 0.19 4.42 2.96 0.47 -0.44 118.68 128.17 2jci s LEU 672 Ca 0.00 -0.85 -0.11 0.00 -0.22 0.00 0.00 54.13 52.96 2jci s LEU 672 Cb -0.10 -1.07 -0.07 0.00 0.50 0.00 0.00 46.19 45.46 2jci s LEU 672 CO 0.01 -0.18 0.54 -0.83 -1.32 0.00 0.00 176.35 174.56 2jci s GLY 673 N 1.51 2.34 -0.11 7.98 0.00 -0.64 -1.20 107.32 117.20 2jci s GLY 673 Ca -0.01 -0.24 -0.05 0.00 0.00 0.00 0.00 44.72 44.42 2jci s GLY 673 CO -0.08 -0.05 0.25 -0.32 0.00 0.00 0.00 173.10 172.90 2jci s GLY 674 N -2.12 -0.13 0.05 0.20 0.00 -0.49 -2.82 107.32 102.01 2jci s GLY 674 Ca 0.43 0.97 0.08 0.00 0.00 0.00 0.00 44.72 46.21 2jci s GLY 674 CO 0.20 1.53 -0.23 0.86 0.00 0.00 0.00 173.10 175.46 2jci s TRP 675 N 1.71 2.42 0.06 1.90 -0.00 -0.35 -0.88 118.94 123.82 2jci s TRP 675 Ca -0.05 -0.35 0.05 0.00 -0.00 0.00 0.00 56.10 55.75 2jci s TRP 675 Cb -0.11 -1.42 -0.03 0.00 -0.00 0.00 0.00 33.47 31.91 2jci s TRP 675 CO -0.08 0.19 -0.13 0.96 -0.00 0.00 0.00 176.95 177.88 2jci s ILE 676 N -0.86 1.01 -0.14 5.86 -4.36 -0.62 -1.63 121.20 120.46 2jci s ILE 676 Ca 0.13 -1.25 0.00 0.00 -0.26 0.00 0.00 60.65 59.27 2jci s ILE 676 Cb -0.10 -0.99 0.00 0.00 1.25 0.00 0.00 42.46 42.62 2jci s ILE 676 CO 0.03 -0.24 0.00 0.61 0.24 0.00 0.00 174.94 175.59 2jci n GLY 677 N 1.35 -1.14 3.90 6.27 0.00 -1.04 -1.87 105.19 112.66 2jci n GLY 677 Ca -0.21 -1.01 -0.28 0.00 0.00 0.00 0.00 46.02 44.52 2jci n GLY 677 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2jci s HIS 678 N -2.06 3.42 0.31 1.61 3.76 -1.26 -1.75 115.29 119.32 2jci s HIS 678 Ca 0.00 0.13 0.00 0.00 -0.15 0.00 0.00 55.06 55.05 2jci s HIS 678 Cb 0.00 -1.67 0.50 0.00 1.11 0.00 0.00 32.58 32.52 2jci s HIS 678 CO 0.00 0.54 1.90 -0.44 -0.85 0.00 0.00 174.74 175.89 2jci h ASP 679 N 2.57 0.74 -0.28 1.40 3.32 -1.95 -1.76 116.42 120.47 2jci h ASP 679 Ca -0.47 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.49 2jci h ASP 679 Cb 1.18 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.54 2jci h ASP 679 CO 0.70 0.66 0.00 -0.90 -1.72 0.00 0.00 179.24 177.97 2jci n ASP 680 N -4.34 1.52 0.00 6.45 5.68 -1.26 -4.91 116.55 119.69 2jci n ASP 680 Ca 0.05 -2.01 0.00 0.00 -0.50 0.00 0.00 54.79 52.33 2jci n ASP 680 Cb 0.15 -0.19 0.00 0.00 -1.14 0.00 0.00 41.12 39.94 2jci n ASP 680 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2jci n ASN 681 N 0.32 -2.11 -4.81 -1.12 3.02 -0.66 -5.01 115.26 104.89 2jci n ASN 681 Ca 0.09 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.34 2jci n ASN 681 Cb 0.24 -1.03 0.09 0.00 -0.61 0.00 0.00 39.78 38.46 2jci n ASN 681 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 2jci s HIS 682 N -2.38 2.88 0.28 3.10 -3.43 -1.26 -4.79 115.29 109.69 2jci s HIS 682 Ca 0.00 1.16 -0.29 0.00 -0.80 0.00 0.00 55.06 55.12 2jci s HIS 682 Cb 0.00 -3.11 -0.10 0.00 -1.43 0.00 0.00 32.58 27.95 2jci s HIS 682 CO 0.00 -1.70 1.20 -1.12 -2.00 0.00 0.00 174.74 171.11 2jci s SER 683 N -3.93 7.05 0.86 7.38 0.01 -1.26 -4.46 113.70 119.35 2jci s SER 683 Ca 0.60 2.42 -0.13 0.00 1.31 0.00 0.00 55.95 60.16 2jci s SER 683 Cb -0.14 -2.63 0.13 0.00 0.21 0.00 0.00 66.02 63.59 2jci s SER 683 CO 0.54 -0.33 1.21 -0.76 0.41 0.00 0.00 173.24 174.31 2jci s LEU 684 N -1.32 2.66 0.97 2.44 1.43 -0.27 -4.92 118.68 119.68 2jci s LEU 684 Ca 0.48 0.45 -0.12 0.00 -1.03 0.00 0.00 54.13 53.90 2jci s LEU 684 Cb -0.35 -2.75 0.17 0.00 0.03 0.00 0.00 46.19 43.30 2jci s LEU 684 CO 0.44 -2.24 1.09 -0.94 0.23 0.00 0.00 176.35 174.93 2jci s SER 685 N -4.72 2.80 0.43 2.29 1.04 -1.26 -4.91 113.70 109.38 2jci s SER 685 Ca 0.67 1.31 0.18 0.00 0.48 0.00 0.00 55.95 58.59 2jci s SER 685 Cb -0.07 -1.98 0.99 0.00 0.10 0.00 0.00 66.02 65.05 2jci s SER 685 CO 0.50 -3.04 1.93 -0.61 0.98 0.00 0.00 173.24 173.00 2jci h GLN 686 N -1.83 0.00 -0.52 4.02 4.15 -1.97 -3.00 115.11 115.97 2jci h GLN 686 Ca -0.53 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.89 2jci h GLN 686 Cb 1.31 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.00 2jci h GLN 686 CO 0.56 0.25 0.00 1.04 -1.93 0.00 0.00 178.83 178.76 2jci n GLN 687 N -3.96 3.44 -0.18 1.69 1.13 -1.26 -4.59 117.38 113.65 2jci n GLN 687 Ca -0.02 -2.73 0.05 0.00 -1.94 0.00 0.00 57.00 52.36 2jci n GLN 687 Cb 0.33 -1.77 0.33 0.00 0.11 0.00 0.00 30.24 29.24 2jci n GLN 687 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2jci h ALA 688 N 3.25 1.63 0.02 -1.58 0.00 -1.90 0.12 119.26 120.81 2jci h ALA 688 Ca 0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 2jci h ALA 688 Cb 1.32 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2jci h ALA 688 CO 0.19 0.28 -0.61 0.78 0.00 0.00 0.00 179.25 179.89 2jci h GLY 689 N 0.82 0.04 0.40 0.00 0.00 -1.85 0.65 103.07 103.13 2jci h GLY 689 Ca 0.29 -0.10 0.08 0.00 0.00 0.00 0.00 47.33 47.61 2jci h GLY 689 CO -0.09 0.09 0.14 -1.82 0.00 0.00 0.00 176.54 174.86 2jci h TYR 690 N -0.92 0.24 0.00 5.60 3.20 -1.70 -3.14 116.97 120.25 2jci h TYR 690 Ca -0.16 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.74 2jci h TYR 690 Cb 1.20 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.44 2jci h TYR 690 CO 0.20 0.04 -0.33 0.45 -1.64 0.00 0.00 178.16 176.88 2jci n SER 691 N -5.07 1.21 0.22 -2.11 2.88 0.01 -1.91 113.62 108.85 2jci n SER 691 Ca 0.06 0.18 -0.15 0.00 -1.33 0.00 0.00 58.87 57.63 2jci n SER 691 Cb 0.24 -0.45 -0.08 0.00 -0.75 0.00 0.00 64.21 63.17 2jci n SER 691 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 2jci h ASN 692 N -0.33 -0.41 -0.47 -3.46 4.21 -1.37 0.78 115.58 114.53 2jci h ASN 692 Ca 0.00 -0.00 -0.09 0.00 1.21 0.00 0.00 56.30 57.41 2jci h ASN 692 Cb 0.33 0.11 -0.02 0.00 -1.12 0.00 0.00 38.32 37.61 2jci h ASN 692 CO 0.00 -0.28 -0.05 -1.13 -1.29 0.00 0.00 177.43 174.68 2jci h ASN 693 N -0.51 0.91 -0.62 5.81 -1.24 0.13 0.14 115.58 120.19 2jci h ASN 693 Ca -0.05 -0.26 -0.04 0.00 0.71 0.00 0.00 56.30 56.65 2jci h ASN 693 Cb 0.39 -0.24 -0.03 0.00 0.73 0.00 0.00 38.32 39.17 2jci h ASN 693 CO 0.08 0.99 0.23 0.28 -1.29 0.00 0.00 177.43 177.73 2jci h SER 694 N 0.84 0.90 -0.12 1.15 0.02 -1.44 0.47 113.55 115.37 2jci h SER 694 Ca 0.15 -0.14 -0.20 0.00 -0.84 0.00 0.00 61.79 60.75 2jci h SER 694 Cb 0.57 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.88 2jci h SER 694 CO 0.03 0.83 -0.70 -1.13 -1.14 0.00 0.00 176.83 174.72 2jci h ASN 695 N 0.95 0.87 -0.66 3.07 -0.00 -0.37 -2.26 115.58 117.18 2jci h ASN 695 Ca 0.22 -0.54 -0.05 0.00 -0.00 0.00 0.00 56.30 55.93 2jci h ASN 695 Cb 0.23 -0.26 -0.03 0.00 -0.00 0.00 0.00 38.32 38.27 2jci h ASN 695 CO -0.01 1.32 0.21 0.22 -0.00 0.00 0.00 177.43 179.17 2jci h TYR 696 N 0.53 1.07 -0.08 0.67 3.20 -0.50 -2.62 116.97 119.24 2jci h TYR 696 Ca -0.03 -0.11 -0.07 0.00 3.14 0.00 0.00 58.73 61.66 2jci h TYR 696 Cb 1.31 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 39.26 2jci h TYR 696 CO 0.07 0.86 -0.29 0.52 -1.64 0.00 0.00 178.16 177.69 2jci h MET 697 N 0.97 0.14 -0.68 1.82 2.86 -0.84 -1.57 114.93 117.63 2jci h MET 697 Ca 0.21 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.78 2jci h MET 697 Cb 0.30 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.91 2jci h MET 697 CO -0.01 0.43 0.31 0.00 1.06 0.00 0.00 176.91 178.70 2jci h ALA 698 N 1.58 1.26 -0.40 6.32 0.00 -1.11 0.15 119.26 127.06 2jci h ALA 698 Ca 0.02 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 2jci h ALA 698 Cb 0.59 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2jci h ALA 698 CO 0.04 0.56 -0.01 0.45 0.00 0.00 0.00 179.25 180.29 2jci h HIS 699 N 0.97 0.78 -0.34 0.00 -0.00 -1.08 -1.28 115.15 114.21 2jci h HIS 699 Ca 0.24 -0.14 -0.04 0.00 -0.00 0.00 0.00 60.37 60.42 2jci h HIS 699 Cb 0.13 -0.20 -0.01 0.00 -0.00 0.00 0.00 27.41 27.32 2jci h HIS 699 CO 0.01 0.80 0.04 1.25 -0.00 0.00 0.00 177.93 180.03 2jci h LEU 700 N 0.54 0.55 -1.06 2.43 5.85 -0.93 0.38 115.31 123.07 2jci h LEU 700 Ca 0.11 -0.28 0.07 0.00 0.84 0.00 0.00 57.88 58.62 2jci h LEU 700 Cb 0.50 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.32 2jci h LEU 700 CO 0.02 0.69 0.63 0.58 -0.34 0.00 0.00 178.44 180.02 2jci h VAL 701 N 0.39 1.08 -0.15 1.05 2.07 -0.63 -1.84 116.25 118.22 2jci h VAL 701 Ca 0.10 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 2jci h VAL 701 Cb 0.38 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 2jci h VAL 701 CO 0.01 0.20 0.00 -1.13 0.02 0.00 0.00 177.57 176.68 2jci h ASN 702 N 1.12 0.26 -0.96 0.57 -1.24 -0.70 -2.59 115.58 112.03 2jci h ASN 702 Ca 0.42 -0.31 0.14 0.00 0.71 0.00 0.00 56.30 57.26 2jci h ASN 702 Cb 0.18 -0.07 -0.08 0.00 0.73 0.00 0.00 38.32 39.08 2jci h ASN 702 CO -0.16 0.50 0.61 0.00 -1.29 0.00 0.00 177.43 177.09 2jci h ALA 703 N 0.76 1.67 -0.43 1.57 0.00 -0.43 0.84 119.26 123.25 2jci h ALA 703 Ca 0.04 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 2jci h ALA 703 Cb 0.37 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2jci h ALA 703 CO 0.01 0.07 -0.20 0.82 0.00 0.00 0.00 179.25 179.94 2jci h ILE 704 N 0.84 1.27 -0.13 0.00 2.04 -1.12 -2.49 117.51 117.92 2jci h ILE 704 Ca 0.49 -1.32 -0.03 0.00 1.00 0.00 0.00 64.86 64.99 2jci h ILE 704 Cb 0.64 1.15 -0.00 0.00 -0.74 0.00 0.00 36.82 37.87 2jci h ILE 704 CO -0.26 0.45 -0.06 -0.61 0.00 0.00 0.00 178.15 177.68 2jci h GLN 705 N 0.74 0.26 -0.90 2.37 -0.00 -0.76 -1.97 115.11 114.85 2jci h GLN 705 Ca 0.10 -0.11 0.18 0.00 -0.00 0.00 0.00 58.65 58.83 2jci h GLN 705 Cb 0.73 -0.01 -0.07 0.00 0.00 0.00 0.00 27.48 28.13 2jci h GLN 705 CO 0.06 0.59 0.59 1.96 0.00 0.00 0.00 178.83 182.02 2jci h GLN 706 N -0.08 0.49 0.00 1.69 1.08 -0.72 -2.07 115.11 115.50 2jci h GLN 706 Ca 0.03 -0.03 -0.10 0.00 -1.45 0.00 0.00 58.65 57.10 2jci h GLN 706 Cb 0.51 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.81 2jci h GLN 706 CO 0.02 0.33 -0.53 0.00 -0.95 0.00 0.00 178.83 177.69 2jci h ALA 707 N 1.61 0.68 -1.47 3.87 0.00 -1.22 -3.41 119.26 119.33 2jci h ALA 707 Ca 0.47 -0.46 -0.29 0.00 0.00 0.00 0.00 54.91 54.63 2jci h ALA 707 Cb 1.02 -0.06 -0.24 0.00 0.00 0.00 0.00 17.79 18.51 2jci h ALA 707 CO -0.20 0.62 -0.65 0.45 0.00 0.00 0.00 179.25 179.47 2jci s SER 708 N -6.41 -0.44 0.00 0.00 0.15 -0.76 -4.82 113.70 101.42 2jci s SER 708 Ca 0.04 -2.08 0.11 0.00 0.70 0.00 0.00 55.95 54.72 2jci s SER 708 Cb 0.08 1.12 0.52 0.00 -1.71 0.00 0.00 66.02 66.03 2jci s SER 708 CO 0.75 -0.10 1.32 -2.65 1.20 0.00 0.00 173.24 173.75 2jci n PRO 709 N 3.07 0.07 -0.11 5.44 -0.02 -0.88 -1.02 135.00 141.56 2jci n PRO 709 Ca 0.21 0.25 0.05 0.00 -2.02 0.00 0.00 63.50 61.98 2jci n PRO 709 Cb 0.53 -1.50 0.10 0.00 -0.02 0.00 0.00 33.50 32.61 2jci n PRO 709 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2jci n SER 710 N -1.41 2.50 0.16 2.55 7.64 -1.26 -4.75 113.62 119.05 2jci n SER 710 Ca 0.04 -2.38 0.02 0.00 1.01 0.00 0.00 58.87 57.56 2jci n SER 710 Cb 0.11 -0.21 0.23 0.00 -1.01 0.00 0.00 64.21 63.33 2jci n SER 710 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 2jci h ILE 711 N 0.63 1.20 0.00 0.44 6.09 -1.43 -3.06 117.51 121.38 2jci h ILE 711 Ca 0.00 -1.88 -0.14 0.00 -1.37 0.00 0.00 64.86 61.47 2jci h ILE 711 Cb 0.78 2.06 -0.02 0.00 0.47 0.00 0.00 36.82 40.11 2jci h ILE 711 CO 0.03 0.51 -0.69 -0.50 -3.07 0.00 0.00 178.15 174.43 2jci h TRP 712 N 0.00 0.00 0.00 2.19 4.06 -1.85 -3.43 115.95 116.91 2jci h TRP 712 Ca -0.01 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.94 2jci h TRP 712 Cb 1.02 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.18 2jci h TRP 712 CO 0.00 0.69 0.00 0.41 -3.56 0.00 0.00 178.44 175.98 2jci n GLY 713 N 0.70 -0.62 0.00 1.49 0.00 -1.16 -4.24 105.19 101.37 2jci n GLY 713 Ca -0.00 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.43 2jci n GLY 713 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jci n ASN 714 N -1.08 1.30 -4.70 1.61 3.02 -1.26 -4.82 115.26 109.34 2jci n ASN 714 Ca 0.00 -1.30 -0.29 0.00 -0.03 0.00 0.00 54.58 52.96 2jci n ASN 714 Cb 0.00 -0.00 0.16 0.00 -0.61 0.00 0.00 39.78 39.33 2jci n ASN 714 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2jci s GLU 715 N -0.30 0.80 0.06 3.52 8.01 -1.26 -4.90 118.70 124.63 2jci s GLU 715 Ca 0.00 0.65 0.07 0.00 0.01 0.00 0.00 54.97 55.70 2jci s GLU 715 Cb 0.00 -1.77 -0.03 0.00 -4.31 0.00 0.00 34.13 28.02 2jci s GLU 715 CO 0.00 -2.51 -0.20 1.03 0.01 0.00 0.00 175.26 173.59 2jci s ARG 716 N -4.96 1.25 0.40 1.61 1.81 -1.26 -4.34 118.95 113.46 2jci s ARG 716 Ca 0.64 -0.99 -0.25 0.00 -1.72 0.00 0.00 55.73 53.41 2jci s ARG 716 Cb -0.18 -1.40 -0.08 0.00 -0.45 0.00 0.00 34.95 32.83 2jci s ARG 716 CO 0.57 0.35 1.18 -0.06 -0.68 0.00 0.00 175.30 176.66 2jci s PHE 717 N -0.93 3.05 -0.01 -0.53 0.08 -1.26 -5.00 117.98 113.38 2jci s PHE 717 Ca 0.06 1.54 -0.08 0.00 0.12 0.00 0.00 56.93 58.58 2jci s PHE 717 Cb -0.09 -3.42 0.01 0.00 -0.57 0.00 0.00 43.02 38.95 2jci s PHE 717 CO 0.02 -1.38 0.17 0.00 -0.10 0.00 0.00 175.22 173.93 2jci s ALA 718 N -1.40 -0.40 0.24 5.36 0.00 -1.26 -5.05 121.76 119.26 2jci s ALA 718 Ca 0.57 0.04 -0.31 0.00 0.00 0.00 0.00 51.96 52.25 2jci s ALA 718 Cb -0.31 0.03 -0.13 0.00 0.00 0.00 0.00 23.12 22.71 2jci s ALA 718 CO 0.39 -0.19 1.57 1.28 0.00 0.00 0.00 175.76 178.81 2jci n LEU 719 N 1.72 3.74 -4.73 0.00 4.32 -1.26 -4.86 117.00 115.93 2jci n LEU 719 Ca -0.21 1.12 -0.38 0.00 -0.02 0.00 0.00 56.01 56.53 2jci n LEU 719 Cb 0.56 -1.52 0.06 0.00 -1.62 0.00 0.00 43.42 40.90 2jci n LEU 719 CO 0.21 -0.09 0.93 -0.67 -1.22 0.00 0.00 177.39 176.55 2jci n ASP 720 N 2.71 2.30 0.23 -1.43 2.03 -1.26 -4.93 116.55 116.20 2jci n ASP 720 Ca 0.12 0.88 0.10 0.00 0.52 0.00 0.00 54.79 56.42 2jci n ASP 720 Cb 0.34 -1.56 0.54 0.00 -0.72 0.00 0.00 41.12 39.72 2jci n ASP 720 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2jci h PRO 721 N 0.86 0.00 0.00 -0.67 0.11 -1.96 -1.67 132.00 128.67 2jci h PRO 721 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2jci h PRO 721 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 2jci h PRO 721 CO 0.54 0.21 0.00 -1.13 -0.21 0.00 0.00 178.00 177.41 2jci n SER 722 N -3.52 0.00 -4.76 -2.05 3.41 -1.26 -4.78 113.62 100.66 2jci n SER 722 Ca -0.01 -0.30 -0.41 0.00 -0.26 0.00 0.00 58.87 57.89 2jci n SER 722 Cb 0.37 -0.19 -0.01 0.00 -0.26 0.00 0.00 64.21 64.12 2jci n SER 722 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2jci s VAL 723 N -2.37 2.23 -0.17 -3.33 1.01 -0.63 -4.91 120.40 112.22 2jci s VAL 723 Ca 0.27 0.21 -0.11 0.00 0.00 0.00 0.00 61.98 62.36 2jci s VAL 723 Cb 0.16 -3.13 -0.05 0.00 0.00 0.00 0.00 36.38 33.36 2jci s VAL 723 CO 0.33 0.04 0.18 -0.69 0.00 0.00 0.00 175.10 174.97 2jci s VAL 724 N -0.49 5.38 -0.11 2.92 1.01 -0.38 -4.96 120.40 123.78 2jci s VAL 724 Ca 0.58 0.31 -0.07 0.00 0.00 0.00 0.00 61.98 62.79 2jci s VAL 724 Cb -0.45 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 2jci s VAL 724 CO 0.53 0.45 0.16 -0.54 0.00 0.00 0.00 175.10 175.70 2jci s LYS 725 N 0.19 3.48 0.06 2.72 1.02 -1.26 -0.79 119.74 125.16 2jci s LYS 725 Ca 0.12 -0.09 0.06 0.00 0.02 0.00 0.00 55.97 56.07 2jci s LYS 725 Cb -0.12 -3.19 -0.03 0.00 -0.52 0.00 0.00 37.83 33.98 2jci s LYS 725 CO 0.01 0.77 -0.16 -1.12 -0.92 0.00 0.00 175.35 173.93 2jci s SER 726 N -1.07 1.90 -0.29 2.83 0.01 -0.57 -4.87 113.70 111.63 2jci s SER 726 Ca 0.16 -0.56 -0.13 0.00 1.31 0.00 0.00 55.95 56.73 2jci s SER 726 Cb -0.12 -0.10 -0.04 0.00 0.21 0.00 0.00 66.02 65.97 2jci s SER 726 CO 0.05 0.01 0.29 -1.83 0.41 0.00 0.00 173.24 172.17 2jci s GLU 727 N -1.50 3.87 0.39 12.44 -1.05 -1.26 -1.39 118.70 130.19 2jci s GLU 727 Ca 0.02 -0.23 0.05 0.00 -0.15 0.00 0.00 54.97 54.65 2jci s GLU 727 Cb -0.09 -3.70 -0.06 0.00 -0.44 0.00 0.00 34.13 29.84 2jci s GLU 727 CO 0.02 -0.30 0.04 0.14 0.95 0.00 0.00 175.26 176.11 2jci s VAL 728 N 1.92 1.43 0.13 1.83 -7.23 -0.50 -4.45 120.40 113.53 2jci s VAL 728 Ca 0.11 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 57.99 2jci s VAL 728 Cb -0.16 -2.75 -0.06 0.00 0.56 0.00 0.00 36.38 33.96 2jci s VAL 728 CO 0.11 0.00 0.92 -0.76 -0.31 0.00 0.00 175.10 175.06 2jci s LEU 729 N -3.63 4.52 0.45 1.32 1.43 -0.83 0.21 118.68 122.15 2jci s LEU 729 Ca 0.31 1.77 0.27 0.00 -1.03 0.00 0.00 54.13 55.45 2jci s LEU 729 Cb 0.08 -3.53 1.32 0.00 0.03 0.00 0.00 46.19 44.09 2jci s LEU 729 CO 0.15 -0.01 1.74 0.11 0.23 0.00 0.00 176.35 178.57 2jci h LYS 730 N 5.30 0.20 0.00 1.70 1.57 -1.78 0.18 116.57 123.73 2jci h LYS 730 Ca -0.44 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.29 2jci h LYS 730 Cb 1.21 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.47 2jci h LYS 730 CO 0.71 0.13 -0.88 0.66 -0.57 0.00 0.00 179.45 179.49 2jci h SER 731 N 0.20 0.00 0.00 0.86 4.64 -1.93 -3.39 113.55 113.93 2jci h SER 731 Ca 0.65 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.97 2jci h SER 731 Cb 2.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.12 2jci h SER 731 CO -0.23 0.15 0.00 0.35 -0.87 0.00 0.00 176.83 176.23 2jci n THR 732 N -2.83 0.00 -0.78 2.95 -2.24 -1.07 -4.99 114.28 105.32 2jci n THR 732 Ca -0.01 -0.36 -0.03 0.00 -2.27 0.00 0.00 64.05 61.38 2jci n THR 732 Cb 0.62 1.06 -0.01 0.00 -2.10 0.00 0.00 70.33 69.89 2jci n THR 732 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jci n GLY 733 N 0.56 0.29 3.75 3.38 0.00 0.59 -4.41 105.19 109.36 2jci n GLY 733 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 2jci n GLY 733 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jci s GLN 734 N -1.64 2.36 0.45 1.61 -0.21 -1.26 -4.56 119.66 116.42 2jci s GLN 734 Ca 0.00 -1.61 -0.25 0.00 0.02 0.00 0.00 55.36 53.52 2jci s GLN 734 Cb 0.00 -2.16 -0.08 0.00 1.00 0.00 0.00 33.01 31.77 2jci s GLN 734 CO 0.00 0.02 1.39 1.63 -2.12 0.00 0.00 175.29 176.21 2jci n LYS 735 N -1.22 2.14 -1.62 2.91 5.02 0.90 -1.96 118.16 124.32 2jci n LYS 735 Ca -0.02 0.76 -0.39 0.00 -2.02 0.00 0.00 58.31 56.65 2jci n LYS 735 Cb 0.62 -2.58 0.04 0.00 -0.02 0.00 0.00 35.03 33.09 2jci n LYS 735 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 2jci n PRO 736 N -0.22 1.13 -3.13 1.97 -0.01 -1.26 -2.00 135.00 131.47 2jci n PRO 736 Ca 0.06 0.42 0.00 0.00 -0.01 0.00 0.00 63.50 63.97 2jci n PRO 736 Cb 0.41 -2.16 0.00 0.00 -0.01 0.00 0.00 33.50 31.74 2jci n PRO 736 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 2jci n GLY 737 N 1.21 -1.27 3.26 -1.23 0.00 -1.22 -4.77 105.19 101.18 2jci n GLY 737 Ca 0.12 -0.89 -0.33 0.00 0.00 0.00 0.00 46.02 44.91 2jci n GLY 737 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jci s LYS 738 N -0.56 3.23 0.08 1.61 3.01 -1.26 -0.95 119.74 124.90 2jci s LYS 738 Ca 0.00 -0.74 0.06 0.00 -1.01 0.00 0.00 55.97 54.29 2jci s LYS 738 Cb 0.00 -2.67 -0.03 0.00 -1.01 0.00 0.00 37.83 34.12 2jci s LYS 738 CO 0.00 -0.02 -0.17 0.08 0.51 0.00 0.00 175.35 175.75 2jci s VAL 739 N 0.92 1.36 -0.17 3.17 1.01 -0.61 -4.96 120.40 121.11 2jci s VAL 739 Ca -0.03 -1.37 -0.14 0.00 0.00 0.00 0.00 61.98 60.45 2jci s VAL 739 Cb -0.15 -1.26 -0.05 0.00 0.00 0.00 0.00 36.38 34.92 2jci s VAL 739 CO -0.01 -0.13 0.30 -0.94 0.00 0.00 0.00 175.10 174.31 2jci s SER 740 N -1.73 6.41 -0.13 3.32 1.04 -1.26 -1.28 113.70 120.07 2jci s SER 740 Ca 0.02 0.48 -0.00 0.00 0.48 0.00 0.00 55.95 56.92 2jci s SER 740 Cb -0.10 -2.18 0.02 0.00 0.10 0.00 0.00 66.02 63.86 2jci s SER 740 CO 0.03 0.07 -0.11 -0.69 0.98 0.00 0.00 173.24 173.52 2jci s VAL 741 N 0.63 1.30 -0.93 5.02 1.01 -0.92 -4.73 120.40 121.77 2jci s VAL 741 Ca 0.16 -0.46 -0.02 0.00 0.00 0.00 0.00 61.98 61.66 2jci s VAL 741 Cb -0.13 -1.26 0.00 0.00 0.00 0.00 0.00 36.38 34.99 2jci s VAL 741 CO 0.04 0.41 0.24 -0.62 0.00 0.00 0.00 175.10 175.18 2jci n GLU 742 N 4.84 -2.24 0.00 2.72 -0.58 -1.26 -2.72 120.64 121.40 2jci n GLU 742 Ca -0.15 0.54 0.00 0.00 -0.42 0.00 0.00 57.16 57.13 2jci n GLU 742 Cb 0.50 -4.62 0.00 0.00 -0.57 0.00 0.00 31.44 26.75 2jci n GLU 742 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jci n GLY 743 N -1.14 1.09 3.68 0.62 0.00 -1.26 -4.96 105.19 103.22 2jci n GLY 743 Ca -0.09 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 2jci n GLY 743 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2jci n LYS 744 N 0.00 2.74 -1.48 1.61 4.81 -1.10 -4.89 118.16 119.85 2jci n LYS 744 Ca 0.00 1.00 -0.33 0.00 -0.87 0.00 0.00 58.31 58.11 2jci n LYS 744 Cb 0.00 -2.90 0.08 0.00 0.02 0.00 0.00 35.03 32.23 2jci n LYS 744 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 2jci s GLU 745 N 3.21 2.34 -0.00 1.64 2.56 -1.26 -2.18 118.70 125.01 2jci s GLU 745 Ca 0.85 1.47 -0.10 0.00 0.00 0.00 0.00 54.97 57.19 2jci s GLU 745 Cb -0.49 -1.89 0.01 0.00 2.00 0.00 0.00 34.13 33.76 2jci s GLU 745 CO 0.40 -1.62 0.20 0.14 -0.56 0.00 0.00 175.26 173.82 2jci s VAL 746 N -2.36 0.07 -0.38 3.70 -7.23 -0.40 -4.85 120.40 108.94 2jci s VAL 746 Ca 0.68 -0.60 -0.12 0.00 -1.81 0.00 0.00 61.98 60.12 2jci s VAL 746 Cb -0.23 -0.50 0.02 0.00 0.56 0.00 0.00 36.38 36.23 2jci s VAL 746 CO 0.47 -0.33 0.24 -0.70 -0.31 0.00 0.00 175.10 174.46 2jci s GLU 747 N -1.35 2.98 -0.11 4.82 2.56 -1.26 -1.58 118.70 124.76 2jci s GLU 747 Ca -0.14 -0.99 -0.17 0.00 0.00 0.00 0.00 54.97 53.67 2jci s GLU 747 Cb -0.07 -3.81 -0.04 0.00 2.00 0.00 0.00 34.13 32.21 2jci s GLU 747 CO 0.03 -0.67 0.45 0.08 -0.56 0.00 0.00 175.26 174.58 2jci s VAL 748 N 1.62 5.18 0.25 3.70 1.01 -0.13 -5.03 120.40 127.01 2jci s VAL 748 Ca 0.04 0.89 -0.05 0.00 0.00 0.00 0.00 61.98 62.85 2jci s VAL 748 Cb -0.19 -3.78 0.02 0.00 0.00 0.00 0.00 36.38 32.43 2jci s VAL 748 CO 0.08 0.36 0.42 0.35 0.00 0.00 0.00 175.10 176.32 2jci n THR 749 N 3.46 0.00 -0.16 3.92 -2.24 -1.26 -3.37 114.28 114.63 2jci n THR 749 Ca -0.08 -0.97 0.00 0.00 -2.27 0.00 0.00 64.05 60.72 2jci n THR 749 Cb 0.52 0.71 0.00 0.00 -2.10 0.00 0.00 70.33 69.46 2jci n THR 749 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jci n GLY 750 N -0.38 0.86 3.77 3.38 0.00 -1.26 -5.07 105.19 106.49 2jci n GLY 750 Ca -0.02 -1.88 -0.38 0.00 0.00 0.00 0.00 46.02 43.73 2jci n GLY 750 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jci s SER 751 N -3.02 6.16 0.47 1.61 1.04 -1.26 -4.93 113.70 113.77 2jci s SER 751 Ca 0.00 2.43 0.03 0.00 0.48 0.00 0.00 55.95 58.89 2jci s SER 751 Cb 0.00 -2.62 -0.03 0.00 0.10 0.00 0.00 66.02 63.47 2jci s SER 751 CO 0.00 -0.93 0.02 0.42 0.98 0.00 0.00 173.24 173.73 2jci s THR 752 N -1.44 1.33 0.08 2.02 -4.23 -1.26 -2.53 115.64 109.61 2jci s THR 752 Ca 0.62 -2.00 -0.26 0.00 -1.18 0.00 0.00 61.69 58.87 2jci s THR 752 Cb -0.32 -2.41 0.07 0.00 1.34 0.00 0.00 72.50 71.18 2jci s THR 752 CO 0.39 0.00 0.62 0.54 -0.54 0.00 0.00 174.62 175.64 2jci s VAL 753 N -2.88 0.00 0.03 2.29 0.11 0.13 -4.75 120.40 115.34 2jci s VAL 753 Ca 0.16 -0.01 -0.25 0.00 -2.93 0.00 0.00 61.98 58.95 2jci s VAL 753 Cb 0.04 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.84 2jci s VAL 753 CO 0.08 -0.01 0.76 -0.89 -3.33 0.00 0.00 175.10 171.71 2jci s THR 754 N -2.80 4.77 -0.04 5.04 2.01 -1.26 -1.41 115.64 121.95 2jci s THR 754 Ca -0.03 1.61 0.05 0.00 0.31 0.00 0.00 61.69 63.63 2jci s THR 754 Cb -0.01 -4.11 -0.01 0.00 0.01 0.00 0.00 72.50 68.39 2jci s THR 754 CO -0.04 0.35 -0.20 -0.55 -0.69 0.00 0.00 174.62 173.48 2jci s SER 755 N 0.04 2.51 -0.08 3.53 0.15 -0.49 -4.80 113.70 114.57 2jci s SER 755 Ca 0.38 -0.41 -0.06 0.00 0.70 0.00 0.00 55.95 56.57 2jci s SER 755 Cb -0.20 -0.60 -0.04 0.00 -1.71 0.00 0.00 66.02 63.47 2jci s SER 755 CO 0.22 0.21 0.15 -0.31 1.20 0.00 0.00 173.24 174.71 2jci s TYR 756 N -0.15 3.58 0.16 3.44 2.02 -1.26 -1.51 117.35 123.63 2jci s TYR 756 Ca -0.01 0.47 0.07 0.00 -0.37 0.00 0.00 57.07 57.23 2jci s TYR 756 Cb -0.11 -1.90 -0.04 0.00 -0.40 0.00 0.00 41.96 39.50 2jci s TYR 756 CO 0.02 0.71 -0.15 -1.58 -1.57 0.00 0.00 175.55 172.98 2jci s TRP 757 N -1.12 1.58 -0.22 2.71 0.52 0.03 -0.88 118.94 121.55 2jci s TRP 757 Ca 0.19 -0.57 0.12 0.00 0.02 0.00 0.00 56.10 55.86 2jci s TRP 757 Cb -0.12 -0.78 0.44 0.00 -1.15 0.00 0.00 33.47 31.86 2jci s TRP 757 CO 0.09 0.25 1.31 0.00 0.02 0.00 0.00 176.95 178.62 2jci n ALA 758 N 0.08 3.63 -3.05 0.98 0.00 -1.26 -1.25 120.51 119.64 2jci n ALA 758 Ca -0.12 -3.06 0.00 0.00 0.00 0.00 0.00 53.44 50.26 2jci n ALA 758 Cb 0.59 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 19.51 2jci n ALA 758 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2jci n ASN 759 N -1.12 0.82 -0.06 0.00 6.94 -1.26 -4.68 115.26 115.90 2jci n ASN 759 Ca 0.24 -0.63 -0.19 0.00 -0.02 0.00 0.00 54.58 53.98 2jci n ASN 759 Cb 0.82 0.00 -0.13 0.00 -2.36 0.00 0.00 39.78 38.12 2jci n ASN 759 CO 0.00 0.00 0.00 0.07 -1.03 0.00 0.00 177.26 176.30 2jci h LYS 760 N 0.00 0.06 -0.00 -3.83 5.09 -1.96 -3.42 116.57 112.51 2jci h LYS 760 Ca 0.00 -0.11 0.00 0.00 0.09 0.00 0.00 60.65 60.63 2jci h LYS 760 Cb 0.00 0.04 0.00 0.00 0.10 0.00 0.00 32.23 32.37 2jci h LYS 760 CO 0.00 1.05 -0.06 -1.13 -2.09 0.00 0.00 179.45 177.22 2jci n SER 761 N -4.39 0.23 0.00 7.07 3.41 -1.26 -4.99 113.62 113.68 2jci n SER 761 Ca -0.21 -0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.04 2jci n SER 761 Cb 0.65 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 2jci n SER 761 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jci n GLY 762 N 1.28 -0.07 3.80 5.00 0.00 -1.26 -4.91 105.19 109.03 2jci n GLY 762 Ca 0.14 -1.02 -0.34 0.00 0.00 0.00 0.00 46.02 44.80 2jci n GLY 762 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jci s ALA 763 N -1.58 2.89 1.00 4.61 0.00 -1.26 -4.98 121.76 122.44 2jci s ALA 763 Ca 0.00 0.59 -0.16 0.00 0.00 0.00 0.00 51.96 52.39 2jci s ALA 763 Cb 0.00 -3.25 0.21 0.00 0.00 0.00 0.00 23.12 20.09 2jci s ALA 763 CO 0.00 -0.27 1.30 -1.25 0.00 0.00 0.00 175.76 175.53 2jci s PRO 764 N -3.21 0.38 0.29 0.00 0.04 -1.26 -4.67 135.00 126.56 2jci s PRO 764 Ca 0.67 -0.37 -0.23 0.00 0.04 0.00 0.00 61.00 61.11 2jci s PRO 764 Cb -0.16 -1.81 -0.09 0.00 0.04 0.00 0.00 34.50 32.48 2jci s PRO 764 CO 0.19 -2.60 0.84 0.00 0.04 0.00 0.00 177.00 175.48 2jci s ALA 765 N -3.78 3.29 -0.03 8.56 0.00 -1.26 -0.07 121.76 128.47 2jci s ALA 765 Ca 0.74 0.34 -0.37 0.00 0.00 0.00 0.00 51.96 52.67 2jci s ALA 765 Cb -0.04 -3.01 -0.15 0.00 0.00 0.00 0.00 23.12 19.91 2jci s ALA 765 CO 0.53 0.24 1.57 2.41 0.00 0.00 0.00 175.76 180.51 2jci n THR 766 N 0.51 0.16 -4.03 0.00 -1.04 -0.85 -4.74 114.28 104.29 2jci n THR 766 Ca 0.01 -0.03 -0.14 0.00 -2.04 0.00 0.00 64.05 61.85 2jci n THR 766 Cb 0.51 -1.19 -0.02 0.00 -1.82 0.00 0.00 70.33 67.81 2jci n THR 766 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2jci n SER 767 N 4.02 2.26 0.13 8.00 3.41 -1.26 -4.76 113.62 125.42 2jci n SER 767 Ca 0.21 -1.98 -0.05 0.00 -0.26 0.00 0.00 58.87 56.79 2jci n SER 767 Cb 0.20 0.08 -0.03 0.00 -0.26 0.00 0.00 64.21 64.20 2jci n SER 767 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 2jci h TYR 768 N 0.86 -0.33 -1.29 7.33 5.03 -1.94 -3.33 116.97 123.30 2jci h TYR 768 Ca -0.18 -0.01 -0.58 0.00 2.58 0.00 0.00 58.73 60.54 2jci h TYR 768 Cb 0.60 0.11 -0.09 0.00 1.55 0.00 0.00 36.73 38.90 2jci h TYR 768 CO 0.00 -0.21 1.40 -0.98 -1.32 0.00 0.00 178.16 177.05 2jci s ARG 769 N -3.16 3.47 0.02 1.82 1.70 -1.26 -4.83 118.95 116.72 2jci s ARG 769 Ca -0.05 -0.93 0.23 0.00 -0.47 0.00 0.00 55.73 54.51 2jci s ARG 769 Cb 0.01 -5.16 0.15 0.00 -0.57 0.00 0.00 34.95 29.38 2jci s ARG 769 CO 0.16 -2.26 1.14 1.97 -1.08 0.00 0.00 175.30 175.23 2jci n PHE 770 N 9.24 0.11 -3.52 5.89 -1.74 -1.25 -4.96 117.46 121.22 2jci n PHE 770 Ca 0.29 0.03 -0.22 0.00 -0.56 0.00 0.00 57.45 56.99 2jci n PHE 770 Cb 0.51 -0.27 -0.01 0.00 1.52 0.00 0.00 39.48 41.23 2jci n PHE 770 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2jci s ALA 771 N -3.08 4.31 -0.31 1.98 0.00 -1.26 -4.69 121.76 118.71 2jci s ALA 771 Ca 0.07 -1.75 -0.26 0.00 0.00 0.00 0.00 51.96 50.03 2jci s ALA 771 Cb 0.16 -1.06 0.01 0.00 0.00 0.00 0.00 23.12 22.23 2jci s ALA 771 CO 0.78 -0.40 0.91 0.42 0.00 0.00 0.00 175.76 177.47 2jci s ILE 772 N -2.58 4.67 0.05 0.00 -1.09 -0.41 -4.92 121.20 116.93 2jci s ILE 772 Ca 0.47 1.44 0.00 0.00 -2.23 0.00 0.00 60.65 60.33 2jci s ILE 772 Cb -0.04 -4.26 0.00 0.00 -1.58 0.00 0.00 42.46 36.58 2jci s ILE 772 CO 0.28 -0.34 0.00 0.61 -1.23 0.00 0.00 174.94 174.26 2jci n GLY 773 N 4.03 -1.94 0.00 6.18 0.00 -1.26 -0.87 105.19 111.33 2jci n GLY 773 Ca 0.07 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.74 2jci n GLY 773 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jci n GLY 774 N -0.93 2.24 3.79 -0.02 0.00 -1.26 -4.50 105.19 104.51 2jci n GLY 774 Ca 0.00 -1.38 -0.30 0.00 0.00 0.00 0.00 46.02 44.34 2jci n GLY 774 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jci s SER 775 N 0.00 4.54 0.29 1.61 1.04 -1.26 -4.86 113.70 115.06 2jci s SER 775 Ca 0.00 1.48 0.03 0.00 0.48 0.00 0.00 55.95 57.95 2jci s SER 775 Cb 0.00 -2.24 0.73 0.00 0.10 0.00 0.00 66.02 64.61 2jci s SER 775 CO 0.00 -1.96 1.66 0.44 0.98 0.00 0.00 173.24 174.36 2jci h ASP 776 N -1.08 0.12 -0.07 7.02 3.32 -1.99 0.77 116.42 124.50 2jci h ASP 776 Ca -0.46 0.18 -0.01 0.00 0.02 0.00 0.00 57.03 56.76 2jci h ASP 776 Cb 1.25 0.22 -0.01 0.00 0.22 0.00 0.00 39.33 41.02 2jci h ASP 776 CO 0.57 -0.12 0.02 0.00 -1.72 0.00 0.00 179.24 177.99 2jci h ALA 777 N 1.76 1.81 -0.17 3.45 0.00 -1.99 -0.21 119.26 123.92 2jci h ALA 777 Ca 0.56 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.32 2jci h ALA 777 Cb 1.13 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 2jci h ALA 777 CO -0.62 0.15 -0.27 -0.44 0.00 0.00 0.00 179.25 178.08 2jci h ASP 778 N 0.17 0.52 0.13 0.00 3.32 -1.23 -1.24 116.42 118.09 2jci h ASP 778 Ca 0.04 -0.53 -0.16 0.00 0.02 0.00 0.00 57.03 56.40 2jci h ASP 778 Cb 0.09 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 2jci h ASP 778 CO -0.00 0.95 -0.58 1.88 -1.72 0.00 0.00 179.24 179.77 2jci h TYR 779 N 0.11 0.59 -0.34 4.55 0.05 -0.97 0.15 116.97 121.11 2jci h TYR 779 Ca 0.01 -0.22 -0.02 0.00 0.05 0.00 0.00 58.73 58.56 2jci h TYR 779 Cb 0.84 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 38.46 2jci h TYR 779 CO 0.09 0.93 0.13 0.37 -1.05 0.00 0.00 178.16 178.64 2jci h GLN 780 N 0.35 0.51 -0.78 4.88 5.75 -1.03 0.31 115.11 125.09 2jci h GLN 780 Ca -0.00 -0.09 0.02 0.00 -0.15 0.00 0.00 58.65 58.42 2jci h GLN 780 Cb 1.12 -0.08 -0.04 0.00 1.07 0.00 0.00 27.48 29.55 2jci h GLN 780 CO 0.10 0.51 0.51 -0.97 -2.65 0.00 0.00 178.83 176.33 2jci h ASN 781 N 0.40 0.87 0.00 -0.69 -0.73 -0.75 -1.95 115.58 112.73 2jci h ASN 781 Ca 0.11 -0.02 -0.10 0.00 1.87 0.00 0.00 56.30 58.17 2jci h ASN 781 Cb 0.19 -0.21 0.01 0.00 0.27 0.00 0.00 38.32 38.58 2jci h ASN 781 CO -0.01 0.62 -0.38 0.00 -0.37 0.00 0.00 177.43 177.29 2jci h ALA 782 N 1.30 0.04 -1.00 1.57 0.00 -0.54 -3.01 119.26 117.63 2jci h ALA 782 Ca 0.30 -0.51 0.21 0.00 0.00 0.00 0.00 54.91 54.91 2jci h ALA 782 Cb -0.07 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 17.64 2jci h ALA 782 CO -0.08 0.18 0.62 -1.49 0.00 0.00 0.00 179.25 178.48 2jci h TRP 783 N -0.37 0.94 0.50 0.00 4.06 -0.41 -0.59 115.95 120.08 2jci h TRP 783 Ca -0.05 0.03 -0.02 0.00 2.06 0.00 0.00 58.89 60.91 2jci h TRP 783 Cb 1.12 -0.28 0.00 0.00 -1.00 0.00 0.00 29.16 29.01 2jci h TRP 783 CO 0.17 0.18 -0.24 1.03 -3.56 0.00 0.00 178.44 176.02 2jci h SER 784 N 0.64 -0.56 -1.06 -3.49 0.87 -1.39 -1.24 113.55 107.31 2jci h SER 784 Ca 0.58 0.02 0.31 0.00 -1.23 0.00 0.00 61.79 61.46 2jci h SER 784 Cb 1.07 0.15 -0.05 0.00 -0.44 0.00 0.00 62.40 63.13 2jci h SER 784 CO -0.36 -0.30 0.76 -1.28 -0.53 0.00 0.00 176.83 175.12 2jci h SER 785 N -0.87 0.03 0.07 6.23 0.87 -1.36 -0.11 113.55 118.40 2jci h SER 785 Ca -0.07 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.49 2jci h SER 785 Cb 0.51 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 2jci h SER 785 CO 0.11 0.01 -0.03 0.40 -0.53 0.00 0.00 176.83 176.79 2jci h ILE 786 N 0.02 1.24 0.00 2.23 2.04 -0.85 -2.96 117.51 119.23 2jci h ILE 786 Ca 0.51 -1.23 0.00 0.00 1.00 0.00 0.00 64.86 65.14 2jci h ILE 786 Cb 2.00 2.01 0.00 0.00 -0.74 0.00 0.00 36.82 40.10 2jci h ILE 786 CO -0.02 0.30 0.00 -0.37 0.00 0.00 0.00 178.15 178.06 2jci h VAL 787 N -0.66 0.00 0.00 1.67 -1.51 0.06 -3.07 116.25 112.73 2jci h VAL 787 Ca -0.01 -0.10 0.00 0.00 -1.23 0.00 0.00 66.70 65.36 2jci h VAL 787 Cb 0.55 0.85 0.00 0.00 -2.13 0.00 0.00 31.29 30.56 2jci h VAL 787 CO 0.01 0.00 0.25 0.61 -1.23 0.00 0.00 177.57 177.22 2jci n GLY 788 N -0.88 0.47 0.00 5.19 0.00 -0.19 -5.09 105.19 104.69 2jci n GLY 788 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2jci n GLY 788 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76