#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ksy n VAL 2 N 0.00 1.43 0.51 2.03 3.14 -1.26 -4.25 118.33 119.92 2ksy n VAL 2 Ca 0.00 -0.83 0.12 0.00 -2.96 0.00 0.00 64.34 60.67 2ksy n VAL 2 Cb 0.00 -0.65 0.10 0.00 -1.06 0.00 0.00 33.84 32.22 2ksy n VAL 2 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2ksy n GLY 3 N 1.66 -1.34 0.19 7.55 0.00 -1.26 -4.01 105.19 107.98 2ksy n GLY 3 Ca -0.26 -0.30 -0.10 0.00 0.00 0.00 0.00 46.02 45.36 2ksy n GLY 3 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2ksy h LEU 4 N 0.00 0.53 -2.02 0.99 5.85 -2.01 -3.10 115.31 115.56 2ksy h LEU 4 Ca 0.00 -0.32 0.10 0.00 0.84 0.00 0.00 57.88 58.50 2ksy h LEU 4 Cb 0.77 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 2ksy h LEU 4 CO 0.00 1.05 0.26 0.71 -0.34 0.00 0.00 178.44 180.12 2ksy h THR 5 N 0.33 0.79 -0.90 1.05 1.35 -1.74 -1.65 112.91 112.14 2ksy h THR 5 Ca -0.02 0.00 0.20 0.00 -0.55 0.00 0.00 66.41 66.04 2ksy h THR 5 Cb 1.22 0.82 -0.07 0.00 -1.73 0.00 0.00 68.15 68.39 2ksy h THR 5 CO 0.12 0.00 0.59 0.71 -0.25 0.00 0.00 175.52 176.69 2ksy h THR 6 N 0.00 0.69 0.29 6.82 1.35 -1.76 -1.67 112.91 118.63 2ksy h THR 6 Ca 0.17 -0.15 -0.01 0.00 -0.55 0.00 0.00 66.41 65.86 2ksy h THR 6 Cb 0.68 0.22 0.00 0.00 -1.73 0.00 0.00 68.15 67.32 2ksy h THR 6 CO -0.00 0.08 -0.14 -0.07 -0.25 0.00 0.00 175.52 175.14 2ksy h LEU 7 N 0.43 -0.33 -1.66 3.87 -0.00 -1.50 -0.68 115.31 115.44 2ksy h LEU 7 Ca 0.47 -0.03 -0.01 0.00 -0.00 0.00 0.00 57.88 58.31 2ksy h LEU 7 Cb 1.12 0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 41.85 2ksy h LEU 7 CO -0.18 -0.18 0.11 -0.26 -0.00 0.00 0.00 178.44 177.93 2ksy h PHE 8 N -0.45 0.33 -0.08 1.13 0.04 -1.48 -1.58 116.94 114.84 2ksy h PHE 8 Ca -0.04 -0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.72 2ksy h PHE 8 Cb 0.34 -0.11 -0.00 0.00 2.20 0.00 0.00 35.95 38.38 2ksy h PHE 8 CO -0.04 0.25 -0.00 -1.49 -0.60 0.00 0.00 178.31 176.43 2ksy h TRP 9 N 0.34 0.16 -0.01 -0.55 -0.00 -1.00 -1.48 115.95 113.42 2ksy h TRP 9 Ca 0.09 -0.03 0.01 0.00 -0.00 0.00 0.00 58.89 58.96 2ksy h TRP 9 Cb 0.05 -0.04 -0.02 0.00 -0.00 0.00 0.00 29.16 29.15 2ksy h TRP 9 CO 0.00 0.42 -0.08 -0.07 -0.00 0.00 0.00 178.44 178.71 2ksy h LEU 10 N -0.14 -0.22 -1.49 -4.49 3.38 -0.66 -1.83 115.31 109.86 2ksy h LEU 10 Ca 0.02 0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.10 2ksy h LEU 10 Cb 0.36 0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 2ksy h LEU 10 CO 0.00 -0.11 0.43 1.23 0.09 0.00 0.00 178.44 180.08 2ksy h GLY 11 N -0.13 0.79 1.92 0.83 0.00 -1.29 0.12 103.07 105.32 2ksy h GLY 11 Ca 0.03 -0.25 -0.06 0.00 0.00 0.00 0.00 47.33 47.06 2ksy h GLY 11 CO -0.08 0.18 -0.24 0.00 0.00 0.00 0.00 176.54 176.40 2ksy h ALA 12 N 1.65 1.51 -0.20 3.60 0.00 -0.48 -2.34 119.26 123.00 2ksy h ALA 12 Ca 0.28 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2ksy h ALA 12 Cb 0.32 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2ksy h ALA 12 CO -0.09 0.36 -0.03 0.82 0.00 0.00 0.00 179.25 180.32 2ksy h ILE 13 N 0.09 1.27 -0.12 0.00 2.04 -0.26 -2.31 117.51 118.22 2ksy h ILE 13 Ca 0.01 -0.96 -0.02 0.00 1.00 0.00 0.00 64.86 64.89 2ksy h ILE 13 Cb 0.47 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 38.04 2ksy h ILE 13 CO 0.03 0.29 -0.02 1.23 0.00 0.00 0.00 178.15 179.69 2ksy h GLY 14 N 0.12 0.17 0.79 5.37 0.00 -1.18 -2.51 103.07 105.84 2ksy h GLY 14 Ca 0.05 -0.08 -0.04 0.00 0.00 0.00 0.00 47.33 47.27 2ksy h GLY 14 CO 0.02 0.08 -0.03 -0.33 0.00 0.00 0.00 176.54 176.28 2ksy h MET 15 N 0.16 0.33 -0.97 4.80 2.86 -1.19 -2.64 114.93 118.28 2ksy h MET 15 Ca 0.04 -0.12 0.08 0.00 -2.06 0.00 0.00 59.70 57.64 2ksy h MET 15 Cb 0.15 -0.02 -0.07 0.00 0.06 0.00 0.00 31.60 31.72 2ksy h MET 15 CO 0.00 0.58 0.62 1.25 1.06 0.00 0.00 176.91 180.42 2ksy h LEU 16 N 0.05 0.96 -0.19 1.22 7.12 -1.01 0.65 115.31 124.11 2ksy h LEU 16 Ca 0.05 0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.08 2ksy h LEU 16 Cb 0.45 -0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 40.39 2ksy h LEU 16 CO 0.01 0.59 0.12 0.58 -0.13 0.00 0.00 178.44 179.61 2ksy h VAL 17 N 1.08 1.06 -0.18 1.05 2.07 -1.34 -2.50 116.25 117.49 2ksy h VAL 17 Ca 0.44 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.80 2ksy h VAL 17 Cb 0.25 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 2ksy h VAL 17 CO -0.20 0.06 0.02 1.23 0.02 0.00 0.00 177.57 178.70 2ksy h GLY 18 N 0.25 0.33 -0.05 2.17 0.00 -1.02 -1.69 103.07 103.04 2ksy h GLY 18 Ca 0.07 -0.23 0.14 0.00 0.00 0.00 0.00 47.33 47.31 2ksy h GLY 18 CO -0.01 0.21 0.06 -0.84 0.00 0.00 0.00 176.54 175.95 2ksy h THR 19 N 0.08 0.50 -0.14 4.70 2.02 -0.79 -0.36 112.91 118.91 2ksy h THR 19 Ca 0.05 -0.06 -0.10 0.00 0.77 0.00 0.00 66.41 67.07 2ksy h THR 19 Cb 0.34 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.07 2ksy h THR 19 CO 0.01 0.03 -0.31 -0.07 0.37 0.00 0.00 175.52 175.54 2ksy h LEU 20 N 0.17 0.53 -1.49 2.58 3.38 -1.42 -0.51 115.31 118.53 2ksy h LEU 20 Ca 0.35 -0.56 0.12 0.00 0.09 0.00 0.00 57.88 57.88 2ksy h LEU 20 Cb 0.57 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 2ksy h LEU 20 CO -0.52 0.99 0.50 0.00 0.09 0.00 0.00 178.44 179.50 2ksy h ALA 21 N 0.55 1.97 0.00 1.53 0.00 -0.41 0.03 119.26 122.93 2ksy h ALA 21 Ca 0.00 -0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.62 2ksy h ALA 21 Cb 0.91 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 2ksy h ALA 21 CO 0.07 -0.15 -1.74 1.19 0.00 0.00 0.00 179.25 178.62 2ksy n PHE 22 N -4.49 0.91 0.01 0.00 3.72 -0.23 -3.30 117.46 114.08 2ksy n PHE 22 Ca 0.14 0.33 -0.13 0.00 -0.05 0.00 0.00 57.45 57.74 2ksy n PHE 22 Cb 0.44 -1.16 -0.10 0.00 -0.94 0.00 0.00 39.48 37.73 2ksy n PHE 22 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2ksy h ALA 23 N 1.04 -0.07 0.00 4.37 0.00 -0.41 0.12 119.26 124.32 2ksy h ALA 23 Ca -0.30 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.37 2ksy h ALA 23 Cb 1.99 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.81 2ksy h ALA 23 CO 0.07 -0.28 -0.00 2.35 0.00 0.00 0.00 179.25 181.39 2ksy h TRP 24 N -0.58 -0.00 0.00 0.00 2.91 -1.21 -1.98 115.95 115.09 2ksy h TRP 24 Ca -0.01 -0.00 -0.05 0.00 1.13 0.00 0.00 58.89 59.97 2ksy h TRP 24 Cb 0.51 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.16 2ksy h TRP 24 CO 0.09 0.32 -0.22 0.00 -1.03 0.00 0.00 178.44 177.61 2ksy h ALA 25 N 0.68 1.18 -0.17 2.65 0.00 -1.66 -2.98 119.26 118.96 2ksy h ALA 25 Ca -0.00 -0.20 -0.18 0.00 0.00 0.00 0.00 54.91 54.53 2ksy h ALA 25 Cb 0.32 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.08 2ksy h ALA 25 CO 0.00 0.27 -0.59 0.78 0.00 0.00 0.00 179.25 179.71 2ksy h GLY 26 N 1.40 0.76 2.00 0.00 0.00 -0.58 -2.95 103.07 103.70 2ksy h GLY 26 Ca -0.00 -1.02 -0.04 0.00 0.00 0.00 0.00 47.33 46.28 2ksy h GLY 26 CO 0.03 0.91 -0.17 3.21 0.00 0.00 0.00 176.54 180.52 2ksy h ARG 27 N 0.39 0.00 0.00 4.80 3.08 -1.22 -1.42 114.38 120.01 2ksy h ARG 27 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2ksy h ARG 27 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.27 2ksy h ARG 27 CO 0.12 0.17 -0.15 -3.47 -1.07 0.00 0.00 179.97 175.57 2ksy n ASP 28 N -3.71 0.19 -3.60 7.04 2.03 -1.15 -4.88 116.55 112.48 2ksy n ASP 28 Ca -0.02 0.29 -0.30 0.00 0.52 0.00 0.00 54.79 55.28 2ksy n ASP 28 Cb 0.28 -0.30 0.25 0.00 -0.72 0.00 0.00 41.12 40.64 2ksy n ASP 28 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2ksy s ALA 29 N -3.01 0.64 0.15 -1.67 0.00 -0.54 -5.08 121.76 112.25 2ksy s ALA 29 Ca 0.13 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 50.97 2ksy s ALA 29 Cb 0.18 -2.82 0.00 0.00 0.00 0.00 0.00 23.12 20.48 2ksy s ALA 29 CO 0.58 -3.70 0.00 0.41 0.00 0.00 0.00 175.76 173.05 2ksy n GLY 30 N -1.11 1.58 3.61 0.00 0.00 -1.26 -5.04 105.19 102.96 2ksy n GLY 30 Ca 0.16 -1.94 -0.39 0.00 0.00 0.00 0.00 46.02 43.85 2ksy n GLY 30 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ksy s SER 31 N -1.00 6.28 0.00 1.61 0.15 -1.26 -4.25 113.70 115.23 2ksy s SER 31 Ca 0.00 0.32 0.00 0.00 0.70 0.00 0.00 55.95 56.97 2ksy s SER 31 Cb 0.00 -2.22 0.00 0.00 -1.71 0.00 0.00 66.02 62.09 2ksy s SER 31 CO 0.00 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.85 2ksy n GLY 32 N 4.64 3.60 0.27 9.45 0.00 -1.26 -4.88 105.19 117.01 2ksy n GLY 32 Ca -0.08 -0.91 0.16 0.00 0.00 0.00 0.00 46.02 45.19 2ksy n GLY 32 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2ksy h GLU 33 N 0.00 0.00 -0.99 1.61 5.08 -1.99 -3.09 114.58 115.20 2ksy h GLU 33 Ca 0.00 0.00 0.29 0.00 -1.00 0.00 0.00 59.36 58.65 2ksy h GLU 33 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 2ksy h GLU 33 CO 0.00 0.03 0.76 0.00 -1.00 0.00 0.00 179.01 178.81 2ksy h ARG 34 N 0.00 0.00 -0.22 2.33 3.08 -1.90 0.90 114.38 118.57 2ksy h ARG 34 Ca -0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 2ksy h ARG 34 Cb 0.52 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 2ksy h ARG 34 CO 0.00 0.00 0.06 0.00 -1.07 0.00 0.00 179.97 178.97 2ksy h ARG 35 N 0.00 0.35 -0.09 0.04 2.47 -1.94 0.13 114.38 115.35 2ksy h ARG 35 Ca 0.47 -0.08 -0.11 0.00 -1.26 0.00 0.00 59.98 59.00 2ksy h ARG 35 Cb 1.99 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 30.25 2ksy h ARG 35 CO -0.00 0.45 -0.43 1.88 0.56 0.00 0.00 179.97 182.43 2ksy h TYR 36 N 0.19 0.23 0.19 3.04 0.05 -1.08 -2.46 116.97 117.13 2ksy h TYR 36 Ca 0.07 -0.06 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 2ksy h TYR 36 Cb 0.25 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 37.94 2ksy h TYR 36 CO 0.01 0.60 -0.09 1.88 -1.05 0.00 0.00 178.16 179.50 2ksy h TYR 37 N 0.16 -0.24 -0.76 4.88 0.05 -1.19 -1.85 116.97 118.01 2ksy h TYR 37 Ca 0.01 -0.01 0.08 0.00 0.05 0.00 0.00 58.73 58.87 2ksy h TYR 37 Cb 0.83 0.08 -0.05 0.00 1.01 0.00 0.00 36.73 38.60 2ksy h TYR 37 CO 0.01 0.16 0.50 -0.24 -1.05 0.00 0.00 178.16 177.54 2ksy h VAL 38 N -0.86 0.98 0.01 -2.88 3.04 -1.02 0.11 116.25 115.63 2ksy h VAL 38 Ca -0.03 -0.25 -0.00 0.00 -1.01 0.00 0.00 66.70 65.41 2ksy h VAL 38 Cb 0.51 0.18 0.00 0.00 -2.01 0.00 0.00 31.29 29.98 2ksy h VAL 38 CO 0.04 0.13 -0.01 0.74 -1.01 0.00 0.00 177.57 177.47 2ksy h THR 39 N 0.73 1.17 -0.78 3.17 2.02 -1.47 0.87 112.91 118.61 2ksy h THR 39 Ca 0.34 -0.56 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 2ksy h THR 39 Cb 0.37 1.55 -0.04 0.00 -1.74 0.00 0.00 68.15 68.30 2ksy h THR 39 CO -0.12 0.15 0.46 0.25 0.37 0.00 0.00 175.52 176.62 2ksy h LEU 40 N -0.26 0.95 -0.79 2.58 5.85 -0.50 -1.55 115.31 121.58 2ksy h LEU 40 Ca -0.00 -0.06 -0.12 0.00 0.84 0.00 0.00 57.88 58.53 2ksy h LEU 40 Cb 0.25 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 2ksy h LEU 40 CO 0.00 0.74 -0.43 0.58 -0.34 0.00 0.00 178.44 179.00 2ksy h VAL 41 N 1.08 1.31 -0.72 1.05 2.07 -0.68 -2.87 116.25 117.50 2ksy h VAL 41 Ca 0.28 -1.59 -0.01 0.00 0.82 0.00 0.00 66.70 66.21 2ksy h VAL 41 Cb -0.02 1.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 2ksy h VAL 41 CO -0.05 0.48 0.41 1.23 0.02 0.00 0.00 177.57 179.67 2ksy h GLY 42 N 1.17 1.05 0.88 2.17 0.00 0.19 0.17 103.07 108.70 2ksy h GLY 42 Ca 0.03 -0.46 -0.10 0.00 0.00 0.00 0.00 47.33 46.80 2ksy h GLY 42 CO 0.07 0.44 -0.25 0.16 0.00 0.00 0.00 176.54 176.97 2ksy h ILE 43 N 0.98 1.32 0.00 2.60 3.07 -1.40 -1.21 117.51 122.87 2ksy h ILE 43 Ca 0.25 -1.42 -0.04 0.00 1.55 0.00 0.00 64.86 65.20 2ksy h ILE 43 Cb 0.00 1.73 -0.01 0.00 -0.27 0.00 0.00 36.82 38.28 2ksy h ILE 43 CO -0.04 0.44 -0.19 -1.28 -1.05 0.00 0.00 178.15 176.03 2ksy h SER 44 N 0.25 0.00 0.00 2.16 0.87 -1.38 -2.40 113.55 113.05 2ksy h SER 44 Ca 0.03 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.59 2ksy h SER 44 Cb 0.81 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.77 2ksy h SER 44 CO 0.06 0.19 -0.00 1.23 -0.53 0.00 0.00 176.83 177.78 2ksy h GLY 45 N 1.07 -0.00 1.03 5.77 0.00 -0.79 -2.46 103.07 107.69 2ksy h GLY 45 Ca -0.00 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.39 2ksy h GLY 45 CO 0.02 -0.00 0.50 0.16 0.00 0.00 0.00 176.54 177.23 2ksy h ILE 46 N -1.00 1.06 -0.39 2.60 3.07 -1.23 -1.39 117.51 120.23 2ksy h ILE 46 Ca -0.00 -0.29 -0.11 0.00 1.55 0.00 0.00 64.86 66.01 2ksy h ILE 46 Cb 0.73 0.13 -0.01 0.00 -0.27 0.00 0.00 36.82 37.40 2ksy h ILE 46 CO 0.00 0.16 -0.17 0.00 -1.05 0.00 0.00 178.15 177.08 2ksy h ALA 47 N 1.58 0.55 -0.81 0.16 0.00 -1.54 -2.71 119.26 116.48 2ksy h ALA 47 Ca 0.32 -0.36 0.10 0.00 0.00 0.00 0.00 54.91 54.98 2ksy h ALA 47 Cb 0.19 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 17.77 2ksy h ALA 47 CO -0.11 0.48 0.45 0.00 0.00 0.00 0.00 179.25 180.07 2ksy h ALA 48 N 0.81 1.17 -0.10 0.00 0.00 -0.76 -1.30 119.26 119.09 2ksy h ALA 48 Ca 0.09 0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.85 2ksy h ALA 48 Cb 0.72 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 2ksy h ALA 48 CO 0.05 0.04 -0.74 -0.39 0.00 0.00 0.00 179.25 178.21 2ksy h VAL 49 N 0.73 1.35 -0.82 0.00 -1.51 -1.44 -2.57 116.25 111.99 2ksy h VAL 49 Ca 0.40 -2.09 -0.03 0.00 -1.23 0.00 0.00 66.70 63.75 2ksy h VAL 49 Cb 0.42 2.07 -0.04 0.00 -2.13 0.00 0.00 31.29 31.62 2ksy h VAL 49 CO -0.27 0.64 0.39 0.00 -1.23 0.00 0.00 177.57 177.09 2ksy h ALA 50 N 0.84 1.06 -0.33 5.19 0.00 -1.02 -1.23 119.26 123.76 2ksy h ALA 50 Ca -0.04 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.54 2ksy h ALA 50 Cb 1.33 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 2ksy h ALA 50 CO 0.13 0.63 -0.46 1.88 0.00 0.00 0.00 179.25 181.43 2ksy h TYR 51 N 1.17 1.10 -0.63 0.00 -1.99 -1.27 -1.86 116.97 113.49 2ksy h TYR 51 Ca 0.28 -0.36 -0.03 0.00 2.00 0.00 0.00 58.73 60.61 2ksy h TYR 51 Cb 0.13 -0.22 -0.03 0.00 2.00 0.00 0.00 36.73 38.61 2ksy h TYR 51 CO 0.01 1.19 0.26 0.00 -0.00 0.00 0.00 178.16 179.62 2ksy h ALA 52 N 0.72 0.82 -0.01 3.88 0.00 -1.20 0.10 119.26 123.57 2ksy h ALA 52 Ca 0.04 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 2ksy h ALA 52 Cb 1.07 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 2ksy h ALA 52 CO 0.11 0.43 -0.01 -0.39 0.00 0.00 0.00 179.25 179.38 2ksy h VAL 53 N 0.88 1.41 -0.22 0.00 -1.51 -1.22 -3.06 116.25 112.53 2ksy h VAL 53 Ca 0.21 -1.22 -0.01 0.00 -1.23 0.00 0.00 66.70 64.45 2ksy h VAL 53 Cb 0.19 2.21 -0.01 0.00 -2.13 0.00 0.00 31.29 31.55 2ksy h VAL 53 CO -0.02 0.32 0.11 0.24 -1.23 0.00 0.00 177.57 176.99 2ksy h MET 54 N -0.48 0.30 0.00 5.19 2.07 -1.31 -0.21 114.93 120.50 2ksy h MET 54 Ca 0.00 -0.03 -0.01 0.00 -2.07 0.00 0.00 59.70 57.60 2ksy h MET 54 Cb 0.53 -0.06 -0.00 0.00 -1.87 0.00 0.00 31.60 30.20 2ksy h MET 54 CO 0.00 0.24 -0.05 0.00 1.07 0.00 0.00 176.91 178.17 2ksy h ALA 55 N 1.82 1.21 0.00 6.32 0.00 -0.70 -1.05 119.26 126.86 2ksy h ALA 55 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2ksy h ALA 55 Cb 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2ksy h ALA 55 CO -0.01 0.06 -0.65 1.28 0.00 0.00 0.00 179.25 179.92 2ksy n LEU 56 N -3.45 0.66 0.00 0.00 4.77 -0.10 -4.73 117.00 114.15 2ksy n LEU 56 Ca -0.02 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 2ksy n LEU 56 Cb 0.17 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 2ksy n LEU 56 CO 0.26 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 2ksy n GLY 57 N 1.36 0.45 3.83 -0.72 0.00 -0.40 -5.08 105.19 104.63 2ksy n GLY 57 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 2ksy n GLY 57 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ksy s VAL 58 N -2.00 4.35 0.00 1.61 -7.23 -1.19 -3.61 120.40 112.33 2ksy s VAL 58 Ca 0.00 1.15 0.00 0.00 -1.81 0.00 0.00 61.98 61.32 2ksy s VAL 58 Cb 0.00 -3.64 0.00 0.00 0.56 0.00 0.00 36.38 33.30 2ksy s VAL 58 CO 0.00 -0.63 0.00 0.61 -0.31 0.00 0.00 175.10 174.77 2ksy n GLY 59 N -1.39 1.44 3.67 2.32 0.00 -1.26 -4.26 105.19 105.71 2ksy n GLY 59 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 2ksy n GLY 59 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2ksy s TRP 60 N -3.70 3.23 -0.12 1.61 0.52 -1.24 -2.42 118.94 116.82 2ksy s TRP 60 Ca 0.00 1.34 -0.00 0.00 0.02 0.00 0.00 56.10 57.46 2ksy s TRP 60 Cb 0.00 -3.33 -0.02 0.00 -1.15 0.00 0.00 33.47 28.97 2ksy s TRP 60 CO 0.00 -0.84 -0.11 0.54 0.02 0.00 0.00 176.95 176.56 2ksy s VAL 61 N 2.97 3.27 0.37 4.03 0.11 -0.49 -5.00 120.40 125.66 2ksy s VAL 61 Ca 0.49 -0.60 -0.25 0.00 -2.93 0.00 0.00 61.98 58.70 2ksy s VAL 61 Cb -0.18 -2.37 -0.10 0.00 -1.53 0.00 0.00 36.38 32.20 2ksy s VAL 61 CO 0.12 0.53 1.00 -2.16 -3.33 0.00 0.00 175.10 171.27 2ksy s PRO 62 N 0.10 4.35 -0.33 1.54 0.04 -1.26 -1.57 135.00 137.86 2ksy s PRO 62 Ca -0.05 1.42 -0.00 0.00 0.04 0.00 0.00 61.00 62.41 2ksy s PRO 62 Cb -0.14 -2.63 0.13 0.00 0.04 0.00 0.00 34.50 31.90 2ksy s PRO 62 CO 0.04 0.04 0.24 0.08 0.04 0.00 0.00 177.00 177.44 2ksy s VAL 63 N -1.68 -0.09 0.00 -0.36 1.01 0.50 -4.87 120.40 114.92 2ksy s VAL 63 Ca 0.55 -1.14 0.00 0.00 0.00 0.00 0.00 61.98 61.39 2ksy s VAL 63 Cb -0.20 -0.97 0.00 0.00 0.00 0.00 0.00 36.38 35.21 2ksy s VAL 63 CO 0.25 -0.77 0.00 0.00 0.00 0.00 0.00 175.10 174.58 2ksy n ALA 64 N 4.58 0.00 -0.00 5.51 0.00 -1.26 -0.30 120.51 129.04 2ksy n ALA 64 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2ksy n ALA 64 Cb 0.41 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.86 2ksy n ALA 64 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2ksy n GLU 65 N 0.00 0.05 -3.48 0.00 0.28 -1.26 -5.05 120.64 111.18 2ksy n GLU 65 Ca 0.00 -0.00 -0.19 0.00 -0.16 0.00 0.00 57.16 56.81 2ksy n GLU 65 Cb 0.00 -1.00 -0.01 0.00 1.43 0.00 0.00 31.44 31.86 2ksy n GLU 65 CO 0.00 0.00 0.00 -0.98 -0.16 0.00 0.00 177.13 175.99 2ksy s ARG 66 N -2.01 2.94 -0.12 3.44 1.70 0.59 -5.12 118.95 120.38 2ksy s ARG 66 Ca -0.00 -1.15 0.01 0.00 -0.47 0.00 0.00 55.73 54.12 2ksy s ARG 66 Cb 0.00 -2.70 0.02 0.00 -0.57 0.00 0.00 34.95 31.70 2ksy s ARG 66 CO 0.01 -0.00 -0.14 0.99 -1.08 0.00 0.00 175.30 175.08 2ksy s THR 67 N -2.25 1.44 0.01 4.99 2.01 -1.26 -0.37 115.64 120.21 2ksy s THR 67 Ca 0.46 -0.59 -0.01 0.00 0.31 0.00 0.00 61.69 61.85 2ksy s THR 67 Cb -0.08 -1.34 -0.04 0.00 0.01 0.00 0.00 72.50 71.05 2ksy s THR 67 CO 0.30 0.43 0.16 -0.69 -0.69 0.00 0.00 174.62 174.13 2ksy s VAL 68 N 1.16 5.22 -0.33 3.82 1.01 -0.61 -4.98 120.40 125.69 2ksy s VAL 68 Ca -0.03 -0.31 -0.08 0.00 0.00 0.00 0.00 61.98 61.56 2ksy s VAL 68 Cb -0.14 -3.46 0.02 0.00 0.00 0.00 0.00 36.38 32.80 2ksy s VAL 68 CO -0.04 0.27 0.13 -0.36 0.00 0.00 0.00 175.10 175.11 2ksy s PHE 69 N -1.35 3.21 -0.01 5.22 0.08 -1.26 -1.40 117.98 122.47 2ksy s PHE 69 Ca 0.28 -1.03 -0.26 0.00 0.12 0.00 0.00 56.93 56.05 2ksy s PHE 69 Cb -0.13 -2.33 -0.20 0.00 -0.57 0.00 0.00 43.02 39.80 2ksy s PHE 69 CO 0.20 -0.62 1.31 0.28 -0.10 0.00 0.00 175.22 176.29 2ksy h VAL 70 N 5.92 1.36 -0.09 -0.44 2.07 -1.85 -2.86 116.25 120.35 2ksy h VAL 70 Ca -0.28 -1.06 0.03 0.00 0.82 0.00 0.00 66.70 66.21 2ksy h VAL 70 Cb 1.11 2.07 -0.00 0.00 -1.52 0.00 0.00 31.29 32.94 2ksy h VAL 70 CO 0.62 0.28 0.09 -0.65 0.02 0.00 0.00 177.57 177.93 2ksy h PRO 71 N -0.43 0.00 0.12 1.57 0.11 -1.90 0.46 132.00 131.93 2ksy h PRO 71 Ca 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 2ksy h PRO 71 Cb 0.45 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.56 2ksy h PRO 71 CO 0.00 0.00 -0.06 -0.09 -0.21 0.00 0.00 178.00 177.64 2ksy h ARG 72 N 0.00 -0.16 -0.55 1.05 2.43 -1.89 0.15 114.38 115.41 2ksy h ARG 72 Ca 0.04 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.15 2ksy h ARG 72 Cb 0.22 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 2ksy h ARG 72 CO -0.00 0.31 0.04 1.88 -1.51 0.00 0.00 179.97 180.69 2ksy h TYR 73 N -0.79 0.97 -0.27 2.20 0.05 -1.23 -2.48 116.97 115.41 2ksy h TYR 73 Ca -0.02 -0.14 -0.16 0.00 0.05 0.00 0.00 58.73 58.47 2ksy h TYR 73 Cb 0.55 -0.27 -0.01 0.00 1.01 0.00 0.00 36.73 38.02 2ksy h TYR 73 CO 0.10 0.86 -0.46 0.97 -1.05 0.00 0.00 178.16 178.57 2ksy h ILE 74 N 0.85 1.29 -0.91 -2.88 -0.00 -0.99 -2.54 117.51 112.33 2ksy h ILE 74 Ca 0.17 -1.66 0.07 0.00 -0.00 0.00 0.00 64.86 63.44 2ksy h ILE 74 Cb 0.45 1.58 -0.06 0.00 -0.00 0.00 0.00 36.82 38.79 2ksy h ILE 74 CO 0.02 0.53 0.59 -0.78 -0.00 0.00 0.00 178.15 178.51 2ksy h ASP 75 N 0.56 0.90 -0.55 2.19 3.58 -0.63 -0.67 116.42 121.80 2ksy h ASP 75 Ca 0.03 0.01 -0.11 0.00 0.42 0.00 0.00 57.03 57.38 2ksy h ASP 75 Cb 1.02 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.86 2ksy h ASP 75 CO 0.10 0.57 -0.07 -0.50 -2.88 0.00 0.00 179.24 176.46 2ksy h TRP 76 N 1.02 1.14 0.00 0.28 6.55 -1.21 0.88 115.95 124.61 2ksy h TRP 76 Ca 0.39 -0.22 -0.00 0.00 0.95 0.00 0.00 58.89 60.01 2ksy h TRP 76 Cb 0.22 -0.29 -0.00 0.00 -0.86 0.00 0.00 29.16 28.23 2ksy h TRP 76 CO -0.00 1.04 -0.02 0.82 -1.05 0.00 0.00 178.44 179.23 2ksy h ILE 77 N 0.93 0.91 0.00 1.49 2.04 -0.73 0.26 117.51 122.41 2ksy h ILE 77 Ca 0.15 -0.08 -0.28 0.00 1.00 0.00 0.00 64.86 65.65 2ksy h ILE 77 Cb 0.63 1.04 -0.05 0.00 -0.74 0.00 0.00 36.82 37.71 2ksy h ILE 77 CO 0.04 0.02 -1.78 0.18 0.00 0.00 0.00 178.15 176.61 2ksy n LEU 78 N -4.36 0.71 -0.10 1.44 4.77 -0.79 -4.40 117.00 114.29 2ksy n LEU 78 Ca -0.03 0.34 -0.18 0.00 -0.03 0.00 0.00 56.01 56.11 2ksy n LEU 78 Cb 0.11 0.21 -0.09 0.00 -2.33 0.00 0.00 43.42 41.31 2ksy n LEU 78 CO 0.33 0.36 -0.44 0.71 -1.33 0.00 0.00 177.39 177.02 2ksy h THR 79 N 0.00 0.76 -0.45 -5.08 1.35 -0.35 -3.34 112.91 105.80 2ksy h THR 79 Ca -0.31 -1.94 0.08 0.00 -0.55 0.00 0.00 66.41 63.70 2ksy h THR 79 Cb 1.97 1.80 -0.10 0.00 -1.73 0.00 0.00 68.15 70.09 2ksy h THR 79 CO 0.06 0.26 -0.36 0.74 -0.25 0.00 0.00 175.52 175.97 2ksy h THR 80 N -1.00 0.18 0.00 6.82 2.02 -0.73 0.34 112.91 120.55 2ksy h THR 80 Ca -0.26 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 66.91 2ksy h THR 80 Cb 1.12 0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 67.71 2ksy h THR 80 CO -0.16 0.00 -0.01 1.55 0.37 0.00 0.00 175.52 177.27 2ksy h PRO 81 N -0.25 0.00 0.01 6.66 0.13 -1.77 -1.00 132.00 135.78 2ksy h PRO 81 Ca 0.18 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 65.09 2ksy h PRO 81 Cb 0.55 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.68 2ksy h PRO 81 CO -0.58 0.01 -0.94 1.25 -0.23 0.00 0.00 178.00 177.51 2ksy h LEU 82 N 0.00 0.44 0.15 1.56 7.12 -0.54 -2.03 115.31 122.02 2ksy h LEU 82 Ca -0.00 -0.36 -0.01 0.00 0.13 0.00 0.00 57.88 57.64 2ksy h LEU 82 Cb 0.17 -0.14 0.00 0.00 -0.53 0.00 0.00 40.66 40.17 2ksy h LEU 82 CO 0.00 1.17 -0.07 0.40 -0.13 0.00 0.00 178.44 179.81 2ksy h ILE 83 N 0.18 0.99 -0.15 4.05 1.08 0.33 -2.12 117.51 121.87 2ksy h ILE 83 Ca -0.07 -0.92 0.01 0.00 -0.39 0.00 0.00 64.86 63.49 2ksy h ILE 83 Cb 1.58 1.53 -0.01 0.00 -3.07 0.00 0.00 36.82 36.85 2ksy h ILE 83 CO 0.16 0.20 0.10 -0.37 -0.69 0.00 0.00 178.15 177.55 2ksy h VAL 84 N -0.66 1.01 -0.51 1.67 -1.51 -1.54 0.86 116.25 115.58 2ksy h VAL 84 Ca -0.02 -0.05 -0.05 0.00 -1.23 0.00 0.00 66.70 65.35 2ksy h VAL 84 Cb 0.49 0.84 -0.02 0.00 -2.13 0.00 0.00 31.29 30.47 2ksy h VAL 84 CO 0.03 0.03 0.11 0.22 -1.23 0.00 0.00 177.57 176.74 2ksy h TYR 85 N 0.16 0.80 -0.47 5.19 3.20 -1.21 -1.42 116.97 123.21 2ksy h TYR 85 Ca 0.06 -0.07 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 2ksy h TYR 85 Cb 0.05 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.06 2ksy h TYR 85 CO -0.00 0.68 0.26 0.35 -1.64 0.00 0.00 178.16 177.82 2ksy h PHE 86 N 0.75 0.64 -0.37 -3.82 3.04 -0.14 -1.76 116.94 115.27 2ksy h PHE 86 Ca 0.17 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.08 2ksy h PHE 86 Cb 0.29 -0.21 -0.02 0.00 2.56 0.00 0.00 35.95 38.58 2ksy h PHE 86 CO 0.02 0.47 0.15 -0.07 -2.02 0.00 0.00 178.31 176.86 2ksy h LEU 87 N 0.62 0.47 -1.12 0.59 -0.00 -1.02 -1.67 115.31 113.18 2ksy h LEU 87 Ca 0.17 -0.04 -0.09 0.00 -0.00 0.00 0.00 57.88 57.91 2ksy h LEU 87 Cb 0.04 -0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 40.57 2ksy h LEU 87 CO -0.03 0.42 -0.43 1.23 -0.00 0.00 0.00 178.44 179.64 2ksy h GLY 88 N 0.67 0.00 1.20 0.83 0.00 -0.46 -2.77 103.07 102.54 2ksy h GLY 88 Ca 0.13 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.27 2ksy h GLY 88 CO -0.01 0.00 -0.59 1.41 0.00 0.00 0.00 176.54 177.35 2ksy h LEU 89 N 0.00 0.93 0.94 3.11 3.38 -0.50 0.27 115.31 123.43 2ksy h LEU 89 Ca -0.00 -0.52 -0.05 0.00 0.09 0.00 0.00 57.88 57.40 2ksy h LEU 89 Cb 0.78 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 41.27 2ksy h LEU 89 CO 0.06 1.31 -0.45 -0.07 0.09 0.00 0.00 178.44 179.38 2ksy h LEU 90 N 0.62 -1.06 0.24 1.67 3.38 -1.31 -3.32 115.31 115.52 2ksy h LEU 90 Ca 0.00 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2ksy h LEU 90 Cb 1.20 0.28 0.00 0.00 0.09 0.00 0.00 40.66 42.22 2ksy h LEU 90 CO 0.13 -0.73 -0.11 0.00 0.09 0.00 0.00 178.44 177.81 2ksy h ALA 91 N -1.29 -0.32 -0.17 1.53 0.00 -1.59 -3.46 119.26 113.97 2ksy h ALA 91 Ca -0.13 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2ksy h ALA 91 Cb 0.96 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2ksy h ALA 91 CO 0.21 -0.42 0.00 0.41 0.00 0.00 0.00 179.25 179.45 2ksy n GLY 92 N 0.20 0.77 1.59 0.00 0.00 0.93 -4.37 105.19 104.31 2ksy n GLY 92 Ca -0.08 -0.72 -0.13 0.00 0.00 0.00 0.00 46.02 45.08 2ksy n GLY 92 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ksy n LEU 93 N -0.06 0.00 0.00 0.99 4.32 -1.19 -5.04 117.00 116.02 2ksy n LEU 93 Ca 0.00 -0.54 -0.15 0.00 -0.02 0.00 0.00 56.01 55.29 2ksy n LEU 93 Cb 0.03 -0.45 0.06 0.00 -1.62 0.00 0.00 43.42 41.45 2ksy n LEU 93 CO 0.00 -1.39 0.32 -0.67 -1.22 0.00 0.00 177.39 174.43 2ksy n ASP 94 N -3.73 1.35 -0.10 -1.43 2.03 -1.26 -4.90 116.55 108.50 2ksy n ASP 94 Ca 0.07 -2.03 -0.11 0.00 0.52 0.00 0.00 54.79 53.25 2ksy n ASP 94 Cb 0.26 -0.37 -0.03 0.00 -0.72 0.00 0.00 41.12 40.26 2ksy n ASP 94 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 2ksy h SER 95 N -0.11 0.50 -0.07 1.67 4.64 -2.00 -1.55 113.55 116.63 2ksy h SER 95 Ca -0.21 -0.28 -0.23 0.00 -0.47 0.00 0.00 61.79 60.59 2ksy h SER 95 Cb 0.91 -0.13 0.01 0.00 -0.31 0.00 0.00 62.40 62.88 2ksy h SER 95 CO 0.28 0.65 -0.85 0.03 -0.87 0.00 0.00 176.83 176.07 2ksy h ARG 96 N 0.33 0.74 -0.58 4.77 3.08 -1.99 -3.10 114.38 117.62 2ksy h ARG 96 Ca 0.09 -0.65 0.04 0.00 0.07 0.00 0.00 59.98 59.52 2ksy h ARG 96 Cb 0.38 0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.54 2ksy h ARG 96 CO 0.01 1.25 0.34 0.93 -1.07 0.00 0.00 179.97 181.43 2ksy h GLU 97 N 0.48 0.64 -0.50 0.04 3.07 -1.93 -1.41 114.58 114.97 2ksy h GLU 97 Ca -0.07 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 58.73 2ksy h GLU 97 Cb 1.48 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 29.22 2ksy h GLU 97 CO 0.17 0.42 0.24 0.74 -1.40 0.00 0.00 179.01 179.18 2ksy h PHE 98 N 0.66 0.68 0.00 4.33 0.04 -1.31 -1.49 116.94 119.84 2ksy h PHE 98 Ca 0.24 -0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.94 2ksy h PHE 98 Cb 0.08 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.00 2ksy h PHE 98 CO -0.07 0.50 -0.30 0.78 -0.60 0.00 0.00 178.31 178.62 2ksy h GLY 99 N 0.80 0.00 0.87 -1.45 0.00 -1.21 -2.69 103.07 99.38 2ksy h GLY 99 Ca 0.18 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.37 2ksy h GLY 99 CO -0.02 0.00 -0.47 -2.22 0.00 0.00 0.00 176.54 173.82 2ksy h ILE 100 N 0.00 1.37 -0.38 2.60 2.04 -0.45 -1.52 117.51 121.17 2ksy h ILE 100 Ca -0.00 -1.79 -0.15 0.00 1.00 0.00 0.00 64.86 63.91 2ksy h ILE 100 Cb 0.74 2.17 -0.01 0.00 -0.74 0.00 0.00 36.82 38.98 2ksy h ILE 100 CO 0.04 0.54 -0.36 -0.37 0.00 0.00 0.00 178.15 178.00 2ksy h VAL 101 N 0.11 1.28 -0.13 1.67 -1.51 -1.44 -2.45 116.25 113.77 2ksy h VAL 101 Ca -0.03 -1.53 -0.21 0.00 -1.23 0.00 0.00 66.70 63.70 2ksy h VAL 101 Cb 1.11 1.37 0.01 0.00 -2.13 0.00 0.00 31.29 31.65 2ksy h VAL 101 CO 0.10 0.51 -0.72 0.40 -1.23 0.00 0.00 177.57 176.63 2ksy h ILE 102 N 0.73 1.30 -0.46 7.19 1.08 -1.56 -2.70 117.51 123.09 2ksy h ILE 102 Ca 0.07 -1.95 -0.05 0.00 -0.39 0.00 0.00 64.86 62.53 2ksy h ILE 102 Cb 0.94 2.07 -0.02 0.00 -3.07 0.00 0.00 36.82 36.74 2ksy h ILE 102 CO 0.09 0.61 0.08 0.00 -0.69 0.00 0.00 178.15 178.24 2ksy h THR 103 N 0.42 1.21 -0.33 -0.27 1.03 -1.30 -2.01 112.91 111.66 2ksy h THR 103 Ca -0.05 -0.79 -0.08 0.00 -0.01 0.00 0.00 66.41 65.48 2ksy h THR 103 Cb 1.36 0.77 -0.01 0.00 -1.07 0.00 0.00 68.15 69.21 2ksy h THR 103 CO 0.15 0.29 -0.09 0.25 -0.01 0.00 0.00 175.52 176.11 2ksy h LEU 104 N 0.68 0.65 -1.96 0.00 5.85 -1.44 -2.61 115.31 116.48 2ksy h LEU 104 Ca 0.15 -0.37 -0.02 0.00 0.84 0.00 0.00 57.88 58.48 2ksy h LEU 104 Cb 0.30 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.15 2ksy h LEU 104 CO 0.00 0.87 -0.10 0.78 -0.34 0.00 0.00 178.44 179.65 2ksy h ASN 105 N 0.43 0.00 0.12 1.25 -0.26 -1.17 -1.35 115.58 114.60 2ksy h ASN 105 Ca 0.08 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.82 2ksy h ASN 105 Cb 0.59 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.85 2ksy h ASN 105 CO 0.03 0.10 -0.06 0.74 -1.06 0.00 0.00 177.43 177.19 2ksy h THR 106 N 0.00 1.08 -0.40 2.81 2.02 -1.01 -1.97 112.91 115.45 2ksy h THR 106 Ca -0.00 -0.97 -0.08 0.00 0.77 0.00 0.00 66.41 66.13 2ksy h THR 106 Cb 0.21 1.67 -0.02 0.00 -1.74 0.00 0.00 68.15 68.28 2ksy h THR 106 CO 0.01 0.23 -0.10 1.62 0.37 0.00 0.00 175.52 177.64 2ksy h VAL 107 N -0.63 1.25 0.41 3.16 3.04 -1.27 -1.68 116.25 120.53 2ksy h VAL 107 Ca -0.02 -1.11 -0.02 0.00 -1.01 0.00 0.00 66.70 64.54 2ksy h VAL 107 Cb 0.49 1.06 0.00 0.00 -2.01 0.00 0.00 31.29 30.83 2ksy h VAL 107 CO 0.03 0.38 -0.20 0.58 -1.01 0.00 0.00 177.57 177.35 2ksy h VAL 108 N 0.63 0.59 0.00 1.51 2.07 -1.28 -1.00 116.25 118.78 2ksy h VAL 108 Ca 0.11 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 2ksy h VAL 108 Cb 0.55 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 31.03 2ksy h VAL 108 CO 0.03 0.05 -0.06 -0.03 0.02 0.00 0.00 177.57 177.58 2ksy h MET 109 N -0.69 0.00 -0.04 1.57 4.05 -1.32 -0.69 114.93 117.81 2ksy h MET 109 Ca -0.06 0.00 -0.15 0.00 -0.28 0.00 0.00 59.70 59.21 2ksy h MET 109 Cb 0.50 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.28 2ksy h MET 109 CO 0.09 0.06 -0.67 1.25 0.23 0.00 0.00 176.91 177.87 2ksy h LEU 110 N 0.00 0.19 0.09 3.39 5.85 -0.93 -2.19 115.31 121.71 2ksy h LEU 110 Ca -0.00 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 2ksy h LEU 110 Cb 0.13 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.10 2ksy h LEU 110 CO 0.01 0.80 -0.04 0.00 -0.34 0.00 0.00 178.44 178.87 2ksy h ALA 111 N 1.19 -0.13 -0.48 1.25 0.00 0.24 -2.78 119.26 118.55 2ksy h ALA 111 Ca -0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2ksy h ALA 111 Cb 1.20 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 2ksy h ALA 111 CO 0.10 -0.46 0.21 0.78 0.00 0.00 0.00 179.25 179.88 2ksy h GLY 112 N -0.34 0.75 -0.17 0.00 0.00 -1.52 0.36 103.07 102.15 2ksy h GLY 112 Ca -0.01 -0.39 0.03 0.00 0.00 0.00 0.00 47.33 46.96 2ksy h GLY 112 CO 0.02 0.37 -0.49 -2.75 0.00 0.00 0.00 176.54 173.69 2ksy h PHE 113 N 0.63 -1.48 0.00 5.60 3.04 -1.36 0.14 116.94 123.51 2ksy h PHE 113 Ca 0.16 0.06 0.00 0.00 3.98 0.00 0.00 57.97 62.17 2ksy h PHE 113 Cb 0.15 0.67 0.00 0.00 2.56 0.00 0.00 35.95 39.33 2ksy h PHE 113 CO -0.00 -0.48 0.00 0.00 -2.02 0.00 0.00 178.31 175.80 2ksy h ALA 114 N -0.36 1.00 -0.22 2.41 0.00 -1.47 -3.11 119.26 117.50 2ksy h ALA 114 Ca 0.04 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.98 2ksy h ALA 114 Cb 0.60 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 2ksy h ALA 114 CO -0.43 0.00 0.03 0.78 0.00 0.00 0.00 179.25 179.63 2ksy h GLY 115 N 2.05 0.24 2.00 0.00 0.00 0.15 -1.80 103.07 105.72 2ksy h GLY 115 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2ksy h GLY 115 CO 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 176.54 176.52 2ksy h ALA 116 N 1.17 1.00 -0.24 3.60 0.00 -1.40 -3.19 119.26 120.20 2ksy h ALA 116 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2ksy h ALA 116 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2ksy h ALA 116 CO -0.15 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 177.77 2ksy n MET 117 N -2.38 2.55 -3.02 0.00 2.00 -0.68 -4.88 117.12 110.70 2ksy n MET 117 Ca 0.05 -1.29 -0.38 0.00 0.00 0.00 0.00 57.70 56.08 2ksy n MET 117 Cb 0.42 -1.77 -0.06 0.00 0.00 0.00 0.00 33.22 31.80 2ksy n MET 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 2ksy s VAL 118 N -1.72 4.44 -2.02 2.03 -7.23 -1.16 -4.96 120.40 109.77 2ksy s VAL 118 Ca 0.22 1.56 0.28 0.00 -1.81 0.00 0.00 61.98 62.24 2ksy s VAL 118 Cb 0.17 -4.03 0.51 0.00 0.56 0.00 0.00 36.38 33.59 2ksy s VAL 118 CO 0.07 0.41 1.81 -0.81 -0.31 0.00 0.00 175.10 176.27 2ksy n PRO 119 N 1.28 1.11 0.00 4.82 -0.04 -1.26 -4.88 135.00 136.03 2ksy n PRO 119 Ca -0.04 -0.52 0.00 0.00 -0.04 0.00 0.00 63.50 62.90 2ksy n PRO 119 Cb 0.50 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 2ksy n PRO 119 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ksy n GLY 120 N 1.22 2.74 0.06 0.55 0.00 -1.26 -5.05 105.19 103.45 2ksy n GLY 120 Ca 0.17 -0.28 0.01 0.00 0.00 0.00 0.00 46.02 45.92 2ksy n GLY 120 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2ksy n ILE 121 N 0.00 0.39 0.28 -0.61 -5.35 -1.26 -4.79 119.36 108.02 2ksy n ILE 121 Ca 0.00 -0.41 0.18 0.00 -0.27 0.00 0.00 62.75 62.25 2ksy n ILE 121 Cb 0.00 0.73 0.97 0.00 -1.74 0.00 0.00 39.64 39.60 2ksy n ILE 121 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 2ksy h GLU 122 N 0.00 0.00 -0.99 6.28 5.08 -1.94 -2.61 114.58 120.39 2ksy h GLU 122 Ca 0.00 0.00 0.23 0.00 -1.00 0.00 0.00 59.36 58.59 2ksy h GLU 122 Cb 0.91 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.07 2ksy h GLU 122 CO 0.00 0.00 0.63 0.07 -1.00 0.00 0.00 179.01 178.71 2ksy h ARG 123 N 0.00 0.50 -0.95 2.33 0.11 -1.87 0.36 114.38 114.86 2ksy h ARG 123 Ca 0.00 -0.03 0.22 0.00 0.10 0.00 0.00 59.98 60.27 2ksy h ARG 123 Cb 0.07 -0.11 -0.08 0.00 1.11 0.00 0.00 29.97 30.96 2ksy h ARG 123 CO 0.00 0.33 0.62 1.88 0.10 0.00 0.00 179.97 182.90 2ksy h TYR 124 N 0.51 0.60 -0.00 4.08 0.05 -1.82 -0.29 116.97 120.10 2ksy h TYR 124 Ca 0.56 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 59.35 2ksy h TYR 124 Cb 1.23 -0.18 0.00 0.00 1.01 0.00 0.00 36.73 38.79 2ksy h TYR 124 CO -0.00 0.13 -0.03 0.00 -1.05 0.00 0.00 178.16 177.20 2ksy h ALA 125 N 1.61 0.01 -0.01 3.88 0.00 -1.16 -1.49 119.26 122.08 2ksy h ALA 125 Ca 0.51 -0.38 0.03 0.00 0.00 0.00 0.00 54.91 55.07 2ksy h ALA 125 Cb 1.25 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.99 2ksy h ALA 125 CO -0.21 -0.10 -0.34 -0.07 0.00 0.00 0.00 179.25 178.52 2ksy h LEU 126 N -0.70 -1.02 -1.64 0.00 4.07 -1.20 0.09 115.31 114.92 2ksy h LEU 126 Ca -0.00 0.13 -0.04 0.00 0.08 0.00 0.00 57.88 58.05 2ksy h LEU 126 Cb 0.77 0.41 -0.01 0.00 1.08 0.00 0.00 40.66 42.91 2ksy h LEU 126 CO 0.01 -0.40 -0.20 0.15 -1.08 0.00 0.00 178.44 176.92 2ksy h PHE 127 N -0.49 0.00 -0.61 1.13 3.57 -1.21 -2.49 116.94 116.84 2ksy h PHE 127 Ca 0.06 0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.69 2ksy h PHE 127 Cb 0.58 0.00 -0.11 0.00 2.79 0.00 0.00 35.95 39.21 2ksy h PHE 127 CO -0.37 0.20 -0.03 0.78 -2.23 0.00 0.00 178.31 176.67 2ksy h GLY 128 N 0.70 0.61 1.86 2.40 0.00 0.13 0.52 103.07 109.29 2ksy h GLY 128 Ca -0.00 0.11 -0.14 0.00 0.00 0.00 0.00 47.33 47.29 2ksy h GLY 128 CO 0.03 -0.21 -0.62 0.00 0.00 0.00 0.00 176.54 175.74 2ksy h MET 129 N 0.09 0.15 -0.29 4.80 -0.00 -1.16 -2.86 114.93 115.65 2ksy h MET 129 Ca 0.31 -0.10 -0.02 0.00 -0.00 0.00 0.00 59.70 59.89 2ksy h MET 129 Cb 0.51 0.02 -0.02 0.00 -0.00 0.00 0.00 31.60 32.11 2ksy h MET 129 CO -0.54 0.72 0.11 0.78 -0.00 0.00 0.00 176.91 177.98 2ksy h GLY 130 N 1.63 0.43 0.26 -3.00 0.00 0.22 0.20 103.07 102.81 2ksy h GLY 130 Ca -0.01 -0.19 -0.00 0.00 0.00 0.00 0.00 47.33 47.12 2ksy h GLY 130 CO 0.09 0.19 -0.04 0.00 0.00 0.00 0.00 176.54 176.77 2ksy h ALA 131 N 1.72 -0.12 -0.32 3.60 0.00 -0.07 -0.19 119.26 123.88 2ksy h ALA 131 Ca 0.10 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 54.79 2ksy h ALA 131 Cb 0.10 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 2ksy h ALA 131 CO -0.01 -0.20 0.01 0.28 0.00 0.00 0.00 179.25 179.33 2ksy h VAL 132 N -0.86 0.78 -0.92 0.00 2.07 -1.37 -0.56 116.25 115.38 2ksy h VAL 132 Ca -0.01 -0.04 0.02 0.00 0.82 0.00 0.00 66.70 67.49 2ksy h VAL 132 Cb 0.58 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 30.97 2ksy h VAL 132 CO 0.02 0.02 0.61 0.00 0.02 0.00 0.00 177.57 178.24 2ksy h ALA 133 N 1.27 1.36 -0.16 1.67 0.00 -0.69 -2.46 119.26 120.26 2ksy h ALA 133 Ca 0.15 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.05 2ksy h ALA 133 Cb 0.20 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 2ksy h ALA 133 CO -0.25 0.58 -0.11 0.35 0.00 0.00 0.00 179.25 179.82 2ksy h PHE 134 N 1.23 -0.28 -0.51 0.00 3.57 0.49 0.16 116.94 121.60 2ksy h PHE 134 Ca 0.35 0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.97 2ksy h PHE 134 Cb -0.11 0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.75 2ksy h PHE 134 CO -0.00 -0.17 0.35 0.82 -2.23 0.00 0.00 178.31 177.08 2ksy h ILE 135 N -0.12 0.85 -0.79 1.41 2.04 -0.82 0.28 117.51 120.36 2ksy h ILE 135 Ca 0.10 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.86 2ksy h ILE 135 Cb 0.26 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 2ksy h ILE 135 CO -0.23 0.04 0.43 1.23 0.00 0.00 0.00 178.15 179.62 2ksy h GLY 136 N 0.23 1.19 0.52 5.37 0.00 -0.60 -0.57 103.07 109.20 2ksy h GLY 136 Ca 0.24 -0.54 -0.00 0.00 0.00 0.00 0.00 47.33 47.03 2ksy h GLY 136 CO -0.05 0.52 -0.02 -2.00 0.00 0.00 0.00 176.54 175.00 2ksy h LEU 137 N 1.10 -0.04 -1.74 3.11 5.85 -0.48 -2.75 115.31 120.35 2ksy h LEU 137 Ca 0.28 -0.44 0.11 0.00 0.84 0.00 0.00 57.88 58.67 2ksy h LEU 137 Cb 0.04 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 2ksy h LEU 137 CO -0.04 0.43 0.38 -0.37 -0.34 0.00 0.00 178.44 178.50 2ksy h VAL 138 N -0.53 0.85 -0.19 1.05 -1.51 -1.24 0.29 116.25 114.97 2ksy h VAL 138 Ca -0.01 -0.10 0.00 0.00 -1.23 0.00 0.00 66.70 65.37 2ksy h VAL 138 Cb 0.48 0.54 -0.01 0.00 -2.13 0.00 0.00 31.29 30.17 2ksy h VAL 138 CO 0.01 0.05 0.13 0.22 -1.23 0.00 0.00 177.57 176.75 2ksy h TYR 139 N 0.29 0.24 -0.60 5.19 3.20 -0.95 -1.92 116.97 122.41 2ksy h TYR 139 Ca 0.26 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.17 2ksy h TYR 139 Cb 0.65 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.81 2ksy h TYR 139 CO -0.00 0.16 0.40 1.88 -1.64 0.00 0.00 178.16 178.95 2ksy h TYR 140 N 0.26 0.69 -0.48 -3.82 0.05 -0.67 1.12 116.97 114.11 2ksy h TYR 140 Ca 0.07 0.02 0.06 0.00 0.05 0.00 0.00 58.73 58.93 2ksy h TYR 140 Cb -0.03 -0.23 -0.05 0.00 1.01 0.00 0.00 36.73 37.43 2ksy h TYR 140 CO -0.06 0.40 0.17 -0.07 -1.05 0.00 0.00 178.16 177.55 2ksy h LEU 141 N 0.71 0.18 -3.12 3.88 3.38 -0.62 -1.96 115.31 117.76 2ksy h LEU 141 Ca 0.24 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.27 2ksy h LEU 141 Cb 0.07 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2ksy h LEU 141 CO -0.06 0.13 0.00 0.55 0.09 0.00 0.00 178.44 179.15 2ksy n VAL 142 N -5.00 1.78 0.00 1.22 3.14 -0.80 -4.53 118.33 114.14 2ksy n VAL 142 Ca 0.05 -1.32 0.00 0.00 -2.96 0.00 0.00 64.34 60.10 2ksy n VAL 142 Cb 0.19 0.11 0.00 0.00 -1.06 0.00 0.00 33.84 33.08 2ksy n VAL 142 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2ksy n GLY 143 N 0.58 0.73 0.33 7.55 0.00 0.38 -4.71 105.19 110.06 2ksy n GLY 143 Ca 0.22 -0.10 0.17 0.00 0.00 0.00 0.00 46.02 46.30 2ksy n GLY 143 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2ksy h PRO 144 N 0.00 0.00 -0.17 1.61 0.11 -1.84 -1.40 132.00 130.31 2ksy h PRO 144 Ca 0.00 0.00 0.05 0.00 0.11 0.00 0.00 66.00 66.16 2ksy h PRO 144 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 2ksy h PRO 144 CO 0.00 0.00 0.20 0.52 -0.21 0.00 0.00 178.00 178.51 2ksy h MET 145 N 0.00 0.00 0.10 1.05 2.86 -1.84 -1.67 114.93 115.43 2ksy h MET 145 Ca 0.07 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.71 2ksy h MET 145 Cb 0.41 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.08 2ksy h MET 145 CO -0.00 0.00 -0.05 1.79 1.06 0.00 0.00 176.91 179.71 2ksy h THR 146 N 0.00 1.01 0.00 2.22 1.35 -1.48 -1.08 112.91 114.93 2ksy h THR 146 Ca 0.08 -0.42 -0.14 0.00 -0.55 0.00 0.00 66.41 65.38 2ksy h THR 146 Cb 0.47 1.28 -0.02 0.00 -1.73 0.00 0.00 68.15 68.16 2ksy h THR 146 CO -0.00 0.10 -0.67 -0.33 -0.25 0.00 0.00 175.52 174.37 2ksy h GLU 147 N -0.32 0.00 -0.18 4.72 5.08 -1.59 -1.53 114.58 120.75 2ksy h GLU 147 Ca -0.01 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 2ksy h GLU 147 Cb 0.27 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 2ksy h GLU 147 CO 0.02 0.67 -0.25 1.03 -1.00 0.00 0.00 179.01 179.48 2ksy h SER 148 N 0.00 0.54 0.09 1.42 0.87 -1.28 -3.00 113.55 112.19 2ksy h SER 148 Ca -0.01 -0.51 -0.21 0.00 -1.23 0.00 0.00 61.79 59.83 2ksy h SER 148 Cb 1.30 -0.15 0.02 0.00 -0.44 0.00 0.00 62.40 63.12 2ksy h SER 148 CO 0.09 0.94 -0.89 0.00 -0.53 0.00 0.00 176.83 176.44 2ksy h ALA 149 N 0.61 -0.01 0.00 6.23 0.00 -1.25 -2.95 119.26 121.89 2ksy h ALA 149 Ca 0.02 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.25 2ksy h ALA 149 Cb 0.82 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2ksy h ALA 149 CO 0.06 0.47 0.00 0.45 0.00 0.00 0.00 179.25 180.22 2ksy n SER 150 N -4.05 0.00 -0.14 0.00 2.88 -0.58 -1.36 113.62 110.38 2ksy n SER 150 Ca -0.13 0.36 0.05 0.00 -1.33 0.00 0.00 58.87 57.83 2ksy n SER 150 Cb 0.83 -0.40 0.07 0.00 -0.75 0.00 0.00 64.21 63.96 2ksy n SER 150 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ksy n GLN 151 N -1.40 1.26 -0.11 -1.46 6.02 -1.13 -4.77 117.38 115.78 2ksy n GLN 151 Ca 0.02 -1.90 -0.21 0.00 -0.01 0.00 0.00 57.00 54.90 2ksy n GLN 151 Cb 0.05 -1.13 -0.09 0.00 1.02 0.00 0.00 30.24 30.09 2ksy n GLN 151 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 2ksy n ARG 152 N -0.86 0.56 -3.89 -1.09 0.00 -0.46 -5.03 116.66 105.88 2ksy n ARG 152 Ca 0.08 0.47 -0.08 0.00 -0.00 0.00 0.00 57.85 58.32 2ksy n ARG 152 Cb 0.57 -1.65 -0.02 0.00 0.00 0.00 0.00 32.46 31.35 2ksy n ARG 152 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2ksy s SER 153 N -6.84 -0.09 0.09 6.15 0.15 -1.25 -5.02 113.70 106.88 2ksy s SER 153 Ca -0.30 -0.85 -0.15 0.00 0.70 0.00 0.00 55.95 55.35 2ksy s SER 153 Cb 0.08 0.72 -0.13 0.00 -1.71 0.00 0.00 66.02 64.98 2ksy s SER 153 CO 0.51 -1.37 1.34 0.77 1.20 0.00 0.00 173.24 175.69 2ksy h SER 154 N 2.06 0.77 1.20 5.45 4.64 -1.94 -3.23 113.55 122.52 2ksy h SER 154 Ca -0.24 -0.55 -0.10 0.00 -0.47 0.00 0.00 61.79 60.42 2ksy h SER 154 Cb 1.25 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 63.10 2ksy h SER 154 CO 0.31 1.18 -0.48 1.23 -0.87 0.00 0.00 176.83 178.20 2ksy h GLY 155 N 0.39 0.00 0.92 -0.77 0.00 -1.97 -3.26 103.07 98.38 2ksy h GLY 155 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.39 2ksy h GLY 155 CO 0.10 0.00 0.58 -2.22 0.00 0.00 0.00 176.54 175.00 2ksy h ILE 156 N 0.00 1.09 -1.00 2.60 1.08 -1.86 -1.79 117.51 117.63 2ksy h ILE 156 Ca -0.00 -0.36 0.08 0.00 -0.39 0.00 0.00 64.86 64.19 2ksy h ILE 156 Cb 1.21 -0.04 -0.07 0.00 -3.07 0.00 0.00 36.82 34.86 2ksy h ILE 156 CO 0.06 0.19 0.65 0.11 -0.69 0.00 0.00 178.15 178.47 2ksy h LYS 157 N 1.04 1.10 -0.06 2.37 1.57 -1.64 0.30 116.57 121.26 2ksy h LYS 157 Ca 0.37 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 59.05 2ksy h LYS 157 Cb 0.14 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.20 2ksy h LYS 157 CO -0.13 0.73 -0.10 1.03 -0.57 0.00 0.00 179.45 180.41 2ksy h SER 158 N 1.14 0.19 0.45 0.86 0.87 -1.52 -2.38 113.55 113.16 2ksy h SER 158 Ca 0.45 -0.54 -0.08 0.00 -1.23 0.00 0.00 61.79 60.39 2ksy h SER 158 Cb 0.24 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 2ksy h SER 158 CO -0.19 0.69 -0.36 -0.07 -0.53 0.00 0.00 176.83 176.37 2ksy h LEU 159 N -0.31 0.00 -0.05 2.23 3.38 -1.15 -2.69 115.31 116.71 2ksy h LEU 159 Ca 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 2ksy h LEU 159 Cb 0.66 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.41 2ksy h LEU 159 CO 0.02 0.36 -0.34 0.22 0.09 0.00 0.00 178.44 178.79 2ksy h TYR 160 N 0.00 0.44 -0.36 1.13 3.20 -0.40 -2.37 116.97 118.61 2ksy h TYR 160 Ca -0.00 -0.20 -0.06 0.00 3.14 0.00 0.00 58.73 61.60 2ksy h TYR 160 Cb 0.69 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.88 2ksy h TYR 160 CO 0.00 0.96 -0.02 -0.39 -1.64 0.00 0.00 178.16 177.06 2ksy h VAL 161 N -0.20 1.27 -0.38 1.81 -1.51 -1.41 0.11 116.25 115.94 2ksy h VAL 161 Ca -0.03 -1.04 -0.12 0.00 -1.23 0.00 0.00 66.70 64.29 2ksy h VAL 161 Cb 1.01 1.21 -0.01 0.00 -2.13 0.00 0.00 31.29 31.38 2ksy h VAL 161 CO 0.07 0.34 -0.22 0.03 -1.23 0.00 0.00 177.57 176.56 2ksy h ARG 162 N 0.46 0.82 0.00 5.19 2.47 -1.59 -2.11 114.38 119.63 2ksy h ARG 162 Ca 0.10 -0.38 -0.00 0.00 -1.26 0.00 0.00 59.98 58.44 2ksy h ARG 162 Cb 0.50 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.81 2ksy h ARG 162 CO 0.02 1.01 -0.00 -0.07 0.56 0.00 0.00 179.97 181.49 2ksy h LEU 163 N 0.63 -0.00 -0.02 3.04 4.07 -1.43 -2.47 115.31 119.13 2ksy h LEU 163 Ca 0.08 -0.69 0.00 0.00 0.08 0.00 0.00 57.88 57.36 2ksy h LEU 163 Cb 0.78 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.52 2ksy h LEU 163 CO 0.06 0.69 -0.01 -0.09 -1.08 0.00 0.00 178.44 178.01 2ksy h ARG 164 N -0.69 -0.01 0.13 1.13 1.12 -1.05 0.75 114.38 115.75 2ksy h ARG 164 Ca -0.00 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.86 2ksy h ARG 164 Cb 0.69 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.65 2ksy h ARG 164 CO 0.00 -0.01 -0.06 -0.91 -3.11 0.00 0.00 179.97 175.88 2ksy h ASN 165 N -0.02 -0.15 0.48 -3.80 -0.26 -1.50 -1.73 115.58 108.59 2ksy h ASN 165 Ca 0.01 -0.05 -0.02 0.00 -0.56 0.00 0.00 56.30 55.68 2ksy h ASN 165 Cb 0.03 0.04 0.00 0.00 -1.06 0.00 0.00 38.32 37.34 2ksy h ASN 165 CO -0.03 -0.05 -0.23 0.25 -1.06 0.00 0.00 177.43 176.32 2ksy h LEU 166 N -0.25 -0.54 0.09 1.61 6.46 -1.37 -2.65 115.31 118.65 2ksy h LEU 166 Ca -0.02 -0.00 0.02 0.00 -0.12 0.00 0.00 57.88 57.76 2ksy h LEU 166 Cb 0.19 0.14 -0.04 0.00 -0.73 0.00 0.00 40.66 40.23 2ksy h LEU 166 CO 0.03 -0.36 -0.25 0.74 -0.62 0.00 0.00 178.44 177.98 2ksy h THR 167 N -0.68 0.44 -0.97 1.05 2.02 -0.87 -2.64 112.91 111.26 2ksy h THR 167 Ca -0.07 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.22 2ksy h THR 167 Cb 0.51 0.44 -0.08 0.00 -1.74 0.00 0.00 68.15 67.28 2ksy h THR 167 CO 0.11 0.00 0.60 1.62 0.37 0.00 0.00 175.52 178.22 2ksy h VAL 168 N -0.44 0.94 0.49 3.16 3.04 -1.35 0.66 116.25 122.75 2ksy h VAL 168 Ca 0.04 -0.34 -0.02 0.00 -1.01 0.00 0.00 66.70 65.37 2ksy h VAL 168 Cb 0.48 -0.13 0.00 0.00 -2.01 0.00 0.00 31.29 29.64 2ksy h VAL 168 CO -0.17 0.18 -0.23 0.58 -1.01 0.00 0.00 177.57 176.92 2ksy h VAL 169 N 0.98 0.00 0.00 1.51 2.07 -1.13 0.16 116.25 119.85 2ksy h VAL 169 Ca 0.47 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.96 2ksy h VAL 169 Cb 0.42 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.19 2ksy h VAL 169 CO -0.25 0.00 -0.06 0.17 0.02 0.00 0.00 177.57 177.45 2ksy h LEU 170 N -0.67 0.00 -0.59 2.57 8.10 -1.41 -1.21 115.31 122.11 2ksy h LEU 170 Ca -0.07 0.00 -0.15 0.00 0.11 0.00 0.00 57.88 57.77 2ksy h LEU 170 Cb 0.50 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.71 2ksy h LEU 170 CO 0.11 0.06 -0.54 -0.50 -4.11 0.00 0.00 178.44 173.46 2ksy h TRP 171 N 0.00 0.59 0.00 0.17 4.06 -0.76 -2.46 115.95 117.55 2ksy h TRP 171 Ca -0.00 -0.21 0.00 0.00 2.06 0.00 0.00 58.89 60.74 2ksy h TRP 171 Cb 0.11 -0.11 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 2ksy h TRP 171 CO 0.00 0.91 0.00 0.00 -3.56 0.00 0.00 178.44 175.79 2ksy n ALA 172 N -2.51 1.70 0.12 1.49 0.00 0.55 -1.61 120.51 120.26 2ksy n ALA 172 Ca -0.03 -0.06 0.07 0.00 0.00 0.00 0.00 53.44 53.43 2ksy n ALA 172 Cb 0.59 -1.20 0.03 0.00 0.00 0.00 0.00 19.45 18.86 2ksy n ALA 172 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2ksy h ILE 173 N 0.00 0.27 -0.23 0.00 1.08 -1.34 -3.37 117.51 113.92 2ksy h ILE 173 Ca 0.00 -1.44 0.05 0.00 -0.39 0.00 0.00 64.86 63.08 2ksy h ILE 173 Cb 0.14 1.90 -0.05 0.00 -3.07 0.00 0.00 36.82 35.74 2ksy h ILE 173 CO 0.00 0.15 -0.11 1.88 -0.69 0.00 0.00 178.15 179.38 2ksy h TYR 174 N 0.00 -0.26 -0.72 1.37 0.05 -1.40 -1.33 116.97 114.69 2ksy h TYR 174 Ca -0.04 0.03 0.21 0.00 0.05 0.00 0.00 58.73 58.98 2ksy h TYR 174 Cb 1.20 0.15 -0.03 0.00 1.01 0.00 0.00 36.73 39.06 2ksy h TYR 174 CO 0.00 -0.17 0.63 -1.00 -1.05 0.00 0.00 178.16 176.57 2ksy h PRO 175 N -0.08 0.00 0.09 4.88 0.13 -1.76 -0.57 132.00 134.69 2ksy h PRO 175 Ca 0.12 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.12 2ksy h PRO 175 Cb 0.26 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.41 2ksy h PRO 175 CO -0.28 0.00 -0.59 0.74 -0.23 0.00 0.00 178.00 177.64 2ksy h PHE 176 N 0.00 0.35 -0.39 1.56 0.04 -1.50 -2.86 116.94 114.14 2ksy h PHE 176 Ca 0.34 -0.25 -0.09 0.00 2.80 0.00 0.00 57.97 60.78 2ksy h PHE 176 Cb 1.59 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 39.71 2ksy h PHE 176 CO 0.00 1.23 -0.11 0.82 -0.60 0.00 0.00 178.31 179.64 2ksy h ILE 177 N -0.59 1.25 -0.05 -0.55 1.08 -0.72 0.20 117.51 118.13 2ksy h ILE 177 Ca -0.11 -1.12 -0.09 0.00 -0.39 0.00 0.00 64.86 63.14 2ksy h ILE 177 Cb 1.43 1.07 0.01 0.00 -3.07 0.00 0.00 36.82 36.26 2ksy h ILE 177 CO 0.09 0.38 -0.34 -0.25 -0.69 0.00 0.00 178.15 177.34 2ksy h TRP 178 N 0.63 0.44 -0.02 1.37 7.01 -1.31 0.19 115.95 124.26 2ksy h TRP 178 Ca 0.11 -0.20 -0.01 0.00 2.11 0.00 0.00 58.89 60.90 2ksy h TRP 178 Cb 0.56 -0.06 -0.00 0.00 -2.10 0.00 0.00 29.16 27.55 2ksy h TRP 178 CO 0.03 0.96 -0.01 1.25 -2.79 0.00 0.00 178.44 177.87 2ksy h LEU 179 N -0.20 0.04 0.03 0.65 7.12 -1.45 0.11 115.31 121.61 2ksy h LEU 179 Ca -0.03 -0.40 -0.08 0.00 0.13 0.00 0.00 57.88 57.50 2ksy h LEU 179 Cb 1.01 -0.01 0.01 0.00 -0.53 0.00 0.00 40.66 41.14 2ksy h LEU 179 CO 0.07 0.43 -0.34 -0.07 -0.13 0.00 0.00 178.44 178.39 2ksy h LEU 180 N -0.35 0.25 0.00 2.25 3.38 -0.72 0.08 115.31 120.21 2ksy h LEU 180 Ca 0.00 -0.87 -0.28 0.00 0.09 0.00 0.00 57.88 56.82 2ksy h LEU 180 Cb 0.41 -0.08 0.17 0.00 0.09 0.00 0.00 40.66 41.25 2ksy h LEU 180 CO 0.00 1.09 -0.14 0.61 0.09 0.00 0.00 178.44 180.09 2ksy n GLY 181 N 1.32 -3.70 0.30 0.83 0.00 0.65 -0.05 105.19 104.53 2ksy n GLY 181 Ca -0.11 -1.20 0.10 0.00 0.00 0.00 0.00 46.02 44.82 2ksy n GLY 181 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2ksy h PRO 182 N 0.00 0.30 0.00 1.61 0.11 -1.83 0.10 132.00 132.29 2ksy h PRO 182 Ca -0.31 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2ksy h PRO 182 Cb 1.04 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.08 2ksy h PRO 182 CO 0.18 0.20 0.12 -2.30 -0.21 0.00 0.00 178.00 175.99 2ksy n PRO 183 N -5.13 0.00 0.00 1.05 -0.02 -1.25 -4.18 135.00 125.46 2ksy n PRO 183 Ca 0.19 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 2ksy n PRO 183 Cb 0.59 -1.62 0.00 0.00 -0.02 0.00 0.00 33.50 32.45 2ksy n PRO 183 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ksy n GLY 184 N -1.38 0.50 0.00 -1.23 0.00 0.39 -4.62 105.19 98.85 2ksy n GLY 184 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2ksy n GLY 184 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2ksy n VAL 185 N -0.26 0.00 -2.89 1.61 0.24 0.02 -5.00 118.33 112.05 2ksy n VAL 185 Ca 0.00 -0.49 -0.07 0.00 -2.04 0.00 0.00 64.34 61.75 2ksy n VAL 185 Cb 0.00 1.01 0.01 0.00 -1.47 0.00 0.00 33.84 33.38 2ksy n VAL 185 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2ksy n ALA 186 N -0.69 -3.06 -0.10 2.33 0.00 0.92 -4.91 120.51 115.01 2ksy n ALA 186 Ca 0.00 0.69 -0.23 0.00 0.00 0.00 0.00 53.44 53.90 2ksy n ALA 186 Cb 0.00 -2.12 -0.11 0.00 0.00 0.00 0.00 19.45 17.22 2ksy n ALA 186 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2ksy n LEU 187 N 0.31 1.94 0.00 0.00 4.77 0.65 -4.89 117.00 119.79 2ksy n LEU 187 Ca 0.04 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 2ksy n LEU 187 Cb 0.29 -0.95 0.00 0.00 -2.33 0.00 0.00 43.42 40.42 2ksy n LEU 187 CO 0.42 0.37 0.00 0.18 -1.33 0.00 0.00 177.39 177.04 2ksy n LEU 188 N -4.33 0.00 -4.79 2.23 4.77 -1.26 -5.07 117.00 108.55 2ksy n LEU 188 Ca -0.36 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.24 2ksy n LEU 188 Cb 0.75 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.77 2ksy n LEU 188 CO 0.18 0.00 0.14 -0.89 -1.33 0.00 0.00 177.39 175.48 2ksy s THR 189 N 1.27 5.07 0.39 -5.08 2.01 -1.26 -4.94 115.64 113.09 2ksy s THR 189 Ca 0.00 0.90 0.20 0.00 0.31 0.00 0.00 61.69 63.10 2ksy s THR 189 Cb 0.00 -3.76 0.39 0.00 0.01 0.00 0.00 72.50 69.14 2ksy s THR 189 CO 0.00 0.48 1.69 1.55 -0.69 0.00 0.00 174.62 177.65 2ksy h PRO 190 N 5.46 0.28 -0.05 4.92 0.13 -1.98 0.53 132.00 141.29 2ksy h PRO 190 Ca -0.47 -0.02 -0.11 0.00 -0.87 0.00 0.00 66.00 64.53 2ksy h PRO 190 Cb 1.20 -0.06 0.01 0.00 0.13 0.00 0.00 31.00 32.28 2ksy h PRO 190 CO 0.67 0.19 -0.40 1.79 -0.23 0.00 0.00 178.00 180.02 2ksy h THR 191 N 0.29 1.43 0.26 1.56 1.35 -2.00 -2.91 112.91 112.90 2ksy h THR 191 Ca 0.71 -1.85 -0.01 0.00 -0.55 0.00 0.00 66.41 64.71 2ksy h THR 191 Cb 1.86 2.43 -0.00 0.00 -1.73 0.00 0.00 68.15 70.71 2ksy h THR 191 CO -0.45 0.53 -0.14 0.58 -0.25 0.00 0.00 175.52 175.79 2ksy h VAL 192 N -0.16 0.71 -0.40 6.82 2.07 -1.37 -1.76 116.25 122.16 2ksy h VAL 192 Ca -0.04 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.55 2ksy h VAL 192 Cb 1.08 0.71 -0.06 0.00 -1.52 0.00 0.00 31.29 31.50 2ksy h VAL 192 CO 0.08 0.00 0.06 -0.78 0.02 0.00 0.00 177.57 176.95 2ksy h ASP 193 N -0.38 -0.04 -0.70 0.57 3.58 -1.22 -1.47 116.42 116.77 2ksy h ASP 193 Ca -0.03 0.08 0.08 0.00 0.42 0.00 0.00 57.03 57.58 2ksy h ASP 193 Cb 0.30 0.11 -0.07 0.00 1.72 0.00 0.00 39.33 41.39 2ksy h ASP 193 CO 0.05 0.02 0.36 0.58 -2.88 0.00 0.00 179.24 177.36 2ksy h VAL 194 N 0.18 0.88 -0.82 2.25 2.07 -1.35 -1.23 116.25 118.22 2ksy h VAL 194 Ca 0.20 -0.21 0.14 0.00 0.82 0.00 0.00 66.70 67.64 2ksy h VAL 194 Cb 0.25 0.20 -0.09 0.00 -1.52 0.00 0.00 31.29 30.13 2ksy h VAL 194 CO -0.28 0.11 0.41 0.00 0.02 0.00 0.00 177.57 177.84 2ksy h ALA 195 N 1.41 1.22 -0.50 1.67 0.00 -0.36 0.08 119.26 122.78 2ksy h ALA 195 Ca 0.34 0.08 -0.12 0.00 0.00 0.00 0.00 54.91 55.21 2ksy h ALA 195 Cb 0.32 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2ksy h ALA 195 CO -0.25 -0.09 -0.17 -0.07 0.00 0.00 0.00 179.25 178.67 2ksy h LEU 196 N 0.60 1.01 0.88 0.00 3.38 -0.91 -2.11 115.31 118.16 2ksy h LEU 196 Ca 0.44 -0.38 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 2ksy h LEU 196 Cb 0.61 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 41.09 2ksy h LEU 196 CO -0.35 1.16 -0.45 0.40 0.09 0.00 0.00 178.44 179.29 2ksy h ILE 197 N 0.86 0.00 -0.80 1.22 1.08 -0.08 0.19 117.51 119.98 2ksy h ILE 197 Ca 0.12 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.75 2ksy h ILE 197 Cb 0.74 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 34.44 2ksy h ILE 197 CO 0.06 0.00 0.53 -0.37 -0.69 0.00 0.00 178.15 177.68 2ksy h VAL 198 N -1.21 0.78 -0.21 1.67 -1.51 -1.16 0.32 116.25 114.93 2ksy h VAL 198 Ca -0.12 -0.16 -0.08 0.00 -1.23 0.00 0.00 66.70 65.11 2ksy h VAL 198 Cb 0.94 0.28 -0.01 0.00 -2.13 0.00 0.00 31.29 30.37 2ksy h VAL 198 CO 0.18 0.08 -0.23 0.22 -1.23 0.00 0.00 177.57 176.60 2ksy h TYR 199 N 0.46 0.42 -0.48 5.19 3.20 -0.88 -0.19 116.97 124.69 2ksy h TYR 199 Ca 0.40 -0.08 -0.09 0.00 3.14 0.00 0.00 58.73 62.10 2ksy h TYR 199 Cb 0.87 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 39.02 2ksy h TYR 199 CO -0.00 0.59 -0.04 -0.07 -1.64 0.00 0.00 178.16 176.99 2ksy h LEU 200 N 0.34 0.87 -0.16 2.82 3.38 0.28 0.15 115.31 123.00 2ksy h LEU 200 Ca 0.06 -0.33 -0.23 0.00 0.09 0.00 0.00 57.88 57.47 2ksy h LEU 200 Cb 0.59 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 41.11 2ksy h LEU 200 CO 0.04 0.99 -0.89 0.44 0.09 0.00 0.00 178.44 179.11 2ksy h ASP 201 N 0.73 0.74 0.70 -0.43 5.19 -1.28 -2.72 116.42 119.35 2ksy h ASP 201 Ca 0.13 -0.55 -0.08 0.00 -0.62 0.00 0.00 57.03 55.92 2ksy h ASP 201 Cb 0.57 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.84 2ksy h ASP 201 CO 0.03 1.34 -0.36 0.25 -3.12 0.00 0.00 179.24 177.38 2ksy h LEU 202 N 0.37 0.00 0.16 1.55 5.85 -0.93 -3.13 115.31 119.18 2ksy h LEU 202 Ca -0.08 0.00 -0.30 0.00 0.84 0.00 0.00 57.88 58.34 2ksy h LEU 202 Cb 1.52 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.56 2ksy h LEU 202 CO 0.17 0.36 -1.43 1.62 -0.34 0.00 0.00 178.44 178.82 2ksy h VAL 203 N 0.00 1.30 0.00 1.05 3.04 -0.68 -2.64 116.25 118.33 2ksy h VAL 203 Ca -0.00 -2.86 0.00 0.00 -1.01 0.00 0.00 66.70 62.83 2ksy h VAL 203 Cb 0.81 2.90 0.00 0.00 -2.01 0.00 0.00 31.29 32.99 2ksy h VAL 203 CO 0.05 0.85 0.00 0.41 -1.01 0.00 0.00 177.57 177.87 2ksy n THR 204 N -3.55 0.00 0.00 3.17 -1.04 -1.03 0.50 114.28 112.33 2ksy n THR 204 Ca -0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.87 2ksy n THR 204 Cb 1.05 -0.64 0.00 0.00 -1.82 0.00 0.00 70.33 68.93 2ksy n THR 204 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2ksy n VAL 206 N -0.72 0.00 0.33 12.58 0.31 -0.99 -2.49 118.33 127.34 2ksy n VAL 206 Ca 0.02 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.19 2ksy n VAL 206 Cb 0.01 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.86 2ksy n VAL 206 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2ksy h GLY 207 N 0.00 -1.19 2.00 2.92 0.00 -0.07 -0.27 103.07 106.46 2ksy h GLY 207 Ca 0.00 0.51 -0.10 0.00 0.00 0.00 0.00 47.33 47.74 2ksy h GLY 207 CO 0.00 -0.39 -0.46 0.27 0.00 0.00 0.00 176.54 175.96 2ksy h PHE 208 N -0.97 0.00 -0.22 5.60 -5.15 -1.60 -2.79 116.94 111.81 2ksy h PHE 208 Ca -0.08 0.00 -0.04 0.00 -0.20 0.00 0.00 57.97 57.65 2ksy h PHE 208 Cb 0.79 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.95 2ksy h PHE 208 CO -0.12 0.46 -0.04 0.78 -2.00 0.00 0.00 178.31 177.39 2ksy h GLY 209 N 2.08 0.35 0.49 6.09 0.00 -1.71 1.75 103.07 112.12 2ksy h GLY 209 Ca -0.00 -0.19 -0.05 0.00 0.00 0.00 0.00 47.33 47.08 2ksy h GLY 209 CO 0.06 0.18 -0.19 0.74 0.00 0.00 0.00 176.54 177.34 2ksy h PHE 210 N 0.32 0.24 0.00 5.60 0.04 -0.79 -2.07 116.94 120.28 2ksy h PHE 210 Ca 0.07 -0.11 -0.03 0.00 2.80 0.00 0.00 57.97 60.70 2ksy h PHE 210 Cb 0.28 -0.03 -0.00 0.00 2.20 0.00 0.00 35.95 38.39 2ksy h PHE 210 CO 0.01 0.84 -0.13 0.82 -0.60 0.00 0.00 178.31 179.25 2ksy h ILE 211 N -0.44 0.84 -0.77 -0.55 2.04 -1.24 -1.81 117.51 115.59 2ksy h ILE 211 Ca -0.02 -0.48 -0.04 0.00 1.00 0.00 0.00 64.86 65.32 2ksy h ILE 211 Cb 0.87 1.28 -0.03 0.00 -0.74 0.00 0.00 36.82 38.20 2ksy h ILE 211 CO 0.04 0.13 0.34 0.00 0.00 0.00 0.00 178.15 178.66 2ksy h ALA 212 N 1.87 0.99 -0.11 1.87 0.00 0.29 -1.97 119.26 122.20 2ksy h ALA 212 Ca -0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 2ksy h ALA 212 Cb 0.27 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2ksy h ALA 212 CO 0.02 0.58 -0.09 -0.07 0.00 0.00 0.00 179.25 179.69 2ksy h LEU 213 N 1.09 0.28 0.07 0.00 3.38 -0.62 -2.34 115.31 117.17 2ksy h LEU 213 Ca 0.26 -0.47 0.02 0.00 0.09 0.00 0.00 57.88 57.78 2ksy h LEU 213 Cb 0.16 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 2ksy h LEU 213 CO -0.03 0.68 -0.19 -0.78 0.09 0.00 0.00 178.44 178.22 2ksy h ASP 214 N -0.13 -0.53 0.38 -0.43 1.82 -1.37 0.12 116.42 116.28 2ksy h ASP 214 Ca 0.02 0.07 -0.01 0.00 -0.39 0.00 0.00 57.03 56.72 2ksy h ASP 214 Cb 0.60 0.21 -0.02 0.00 0.68 0.00 0.00 39.33 40.80 2ksy h ASP 214 CO 0.02 -0.26 -0.33 0.00 -1.61 0.00 0.00 179.24 177.06 2ksy h ALA 215 N 0.50 -0.74 -0.47 -0.78 0.00 -1.42 -2.05 119.26 114.31 2ksy h ALA 215 Ca 0.03 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 54.91 2ksy h ALA 215 Cb 0.38 0.46 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 2ksy h ALA 215 CO -0.13 -0.94 0.32 0.00 0.00 0.00 0.00 179.25 178.50 2ksy h ALA 216 N -0.24 2.12 -0.31 0.00 0.00 -1.31 0.44 119.26 119.95 2ksy h ALA 216 Ca -0.03 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 2ksy h ALA 216 Cb 0.64 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2ksy h ALA 216 CO -0.03 -0.23 -0.06 0.00 0.00 0.00 0.00 179.25 178.93 2ksy h ALA 217 N 1.76 1.32 0.00 0.00 0.00 -0.08 -2.37 119.26 119.89 2ksy h ALA 217 Ca 0.22 -0.23 -0.20 0.00 0.00 0.00 0.00 54.91 54.70 2ksy h ALA 217 Cb 0.53 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2ksy h ALA 217 CO -0.04 0.46 -0.88 1.15 0.00 0.00 0.00 179.25 179.94 2ksy h THR 218 N 0.47 1.50 -0.77 0.00 2.02 -0.35 -1.50 112.91 114.28 2ksy h THR 218 Ca 0.10 -2.64 -0.03 0.00 0.77 0.00 0.00 66.41 64.61 2ksy h THR 218 Cb 0.41 2.48 -0.04 0.00 -1.74 0.00 0.00 68.15 69.26 2ksy h THR 218 CO 0.02 0.77 0.38 -0.07 0.37 0.00 0.00 175.52 176.99 2ksy h LEU 219 N 0.10 1.00 0.00 2.58 3.38 -0.84 -1.07 115.31 120.45 2ksy h LEU 219 Ca -0.04 -0.13 -0.11 0.00 0.09 0.00 0.00 57.88 57.69 2ksy h LEU 219 Cb 1.51 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.99 2ksy h LEU 219 CO 0.13 0.84 -0.79 0.08 0.09 0.00 0.00 178.44 178.80 2ksy h ARG 220 N 1.08 0.00 0.00 1.13 0.11 -1.49 -3.30 114.38 111.91 2ksy h ARG 220 Ca 0.26 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.34 2ksy h ARG 220 Cb 0.10 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.18 2ksy h ARG 220 CO -0.04 0.36 0.00 0.00 0.10 0.00 0.00 179.97 180.40 2ksy h ALA 221 N 1.55 1.00 0.00 0.08 0.00 -0.88 0.48 119.26 121.48 2ksy h ALA 221 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2ksy h ALA 221 Cb 1.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2ksy h ALA 221 CO 0.05 0.00 0.00 -0.85 0.00 0.00 0.00 179.25 178.45 2ksy n GLU 222 N -2.97 0.04 0.00 0.00 0.28 -0.44 -3.40 120.64 114.15 2ksy n GLU 222 Ca 0.03 0.28 0.00 0.00 -0.16 0.00 0.00 57.16 57.31 2ksy n GLU 222 Cb 0.45 -1.57 0.00 0.00 1.43 0.00 0.00 31.44 31.75 2ksy n GLU 222 CO 0.00 0.00 0.00 -2.39 -0.16 0.00 0.00 177.13 174.58 2ksy n HIS 223 N -1.64 0.00 -2.79 -1.84 1.44 -1.18 -5.09 115.22 104.12 2ksy n HIS 223 Ca 0.03 0.00 -0.06 0.00 -2.01 0.00 0.00 57.72 55.68 2ksy n HIS 223 Cb 0.18 0.05 0.01 0.00 0.12 0.00 0.00 29.99 30.35 2ksy n HIS 223 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2ksy n GLY 224 N 0.00 -2.05 1.23 -1.39 0.00 0.14 -4.86 105.19 98.26 2ksy n GLY 224 Ca 0.00 1.04 0.00 0.00 0.00 0.00 0.00 46.02 47.06 2ksy n GLY 224 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ksy n GLU 225 N -0.06 -3.32 -1.81 1.61 -0.58 0.32 -4.87 120.64 111.95 2ksy n GLU 225 Ca 0.09 2.54 -0.38 0.00 -0.42 0.00 0.00 57.16 58.98 2ksy n GLU 225 Cb 0.34 -3.08 0.04 0.00 -0.57 0.00 0.00 31.44 28.17 2ksy n GLU 225 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2ksy s SER 226 N -4.34 5.36 0.73 1.62 0.01 -1.26 -4.99 113.70 110.82 2ksy s SER 226 Ca 0.00 2.76 -0.11 0.00 1.31 0.00 0.00 55.95 59.91 2ksy s SER 226 Cb 0.00 -2.64 0.03 0.00 0.21 0.00 0.00 66.02 63.62 2ksy s SER 226 CO 0.00 -1.51 1.08 -0.76 0.41 0.00 0.00 173.24 172.46 2ksy s LEU 227 N -3.43 2.90 0.00 2.44 1.43 -1.26 -5.05 118.68 115.71 2ksy s LEU 227 Ca 0.70 1.40 -0.09 0.00 -1.03 0.00 0.00 54.13 55.11 2ksy s LEU 227 Cb -0.40 -4.18 0.04 0.00 0.03 0.00 0.00 46.19 41.67 2ksy s LEU 227 CO 0.48 -1.56 0.66 0.00 0.23 0.00 0.00 176.35 176.15 2ksy n ALA 228 N -3.18 -1.15 -1.47 4.21 0.00 -1.26 -5.07 120.51 112.58 2ksy n ALA 228 Ca 0.07 -1.41 -0.31 0.00 0.00 0.00 0.00 53.44 51.79 2ksy n ALA 228 Cb 0.55 1.13 0.07 0.00 0.00 0.00 0.00 19.45 21.20 2ksy n ALA 228 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2ksy s GLY 229 N -3.10 1.66 0.08 0.00 0.00 -1.26 -5.08 107.32 99.62 2ksy s GLY 229 Ca 0.21 0.08 0.06 0.00 0.00 0.00 0.00 44.72 45.08 2ksy s GLY 229 CO 0.16 0.43 -0.17 -1.34 0.00 0.00 0.00 173.10 172.17 2ksy s VAL 230 N -3.02 1.36 -0.40 1.40 -7.23 -1.26 -5.12 120.40 106.13 2ksy s VAL 230 Ca 0.59 -1.34 -0.14 0.00 -1.81 0.00 0.00 61.98 59.29 2ksy s VAL 230 Cb -0.15 -1.26 0.02 0.00 0.56 0.00 0.00 36.38 35.56 2ksy s VAL 230 CO 0.55 -0.10 0.28 -0.62 -0.31 0.00 0.00 175.10 174.89 2ksy s ASP 231 N -1.67 6.00 -0.20 4.85 2.15 -1.26 -5.03 116.67 121.50 2ksy s ASP 231 Ca 0.02 -0.95 -0.08 0.00 0.43 0.00 0.00 52.55 51.97 2ksy s ASP 231 Cb -0.10 -2.12 0.09 0.00 -0.30 0.00 0.00 42.92 40.49 2ksy s ASP 231 CO 0.03 -0.44 0.44 0.28 -0.17 0.00 0.00 175.17 175.30 2ksy s THR 232 N 1.64 -0.51 -0.15 1.71 -1.32 -1.26 -5.15 115.64 110.60 2ksy s THR 232 Ca 0.04 0.14 -0.07 0.00 -1.21 0.00 0.00 61.69 60.59 2ksy s THR 232 Cb -0.19 -0.68 -0.04 0.00 -1.51 0.00 0.00 72.50 70.08 2ksy s THR 232 CO 0.09 0.06 0.10 1.51 -2.21 0.00 0.00 174.62 174.17 2ksy s ASP 233 N 2.34 6.02 -0.29 8.08 -4.77 -1.26 -4.76 116.67 122.03 2ksy s ASP 233 Ca -0.04 0.28 -0.01 0.00 -3.30 0.00 0.00 52.55 49.48 2ksy s ASP 233 Cb -0.11 -1.97 0.00 0.00 -1.09 0.00 0.00 42.92 39.75 2ksy s ASP 233 CO -0.13 0.30 0.04 0.41 0.70 0.00 0.00 175.17 176.49 2ksy n THR 234 N 2.71-11.25 -0.64 2.11 -1.04 -1.26 -4.98 114.28 99.92 2ksy n THR 234 Ca -0.18 1.70 -0.29 0.00 -2.04 0.00 0.00 64.05 63.24 2ksy n THR 234 Cb 0.53 -6.66 0.25 0.00 -1.82 0.00 0.00 70.33 62.63 2ksy n THR 234 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2ksy s PRO 235 N -1.66 -1.33 -0.29 -2.82 0.04 -1.26 -4.99 135.00 122.70 2ksy s PRO 235 Ca 0.02 0.52 -0.14 0.00 0.04 0.00 0.00 61.00 61.43 2ksy s PRO 235 Cb -0.00 -1.53 -0.03 0.00 0.04 0.00 0.00 34.50 32.97 2ksy s PRO 235 CO 0.73 -3.91 0.34 0.00 0.04 0.00 0.00 177.00 174.19 2ksy s ALA 236 N -2.53 3.54 0.38 8.56 0.00 -1.26 -5.07 121.76 125.38 2ksy s ALA 236 Ca 0.68 -0.95 -0.20 0.00 0.00 0.00 0.00 51.96 51.49 2ksy s ALA 236 Cb -0.20 -2.69 -0.10 0.00 0.00 0.00 0.00 23.12 20.13 2ksy s ALA 236 CO 0.61 -0.72 0.89 0.14 0.00 0.00 0.00 175.76 176.68 2ksy s VAL 237 N 2.00 4.44 0.00 0.00 -7.23 -1.26 -4.95 120.40 113.40 2ksy s VAL 237 Ca 0.13 1.40 0.00 0.00 -1.81 0.00 0.00 61.98 61.70 2ksy s VAL 237 Cb -0.16 -3.68 0.00 0.00 0.56 0.00 0.00 36.38 33.10 2ksy s VAL 237 CO 0.11 -0.19 0.00 0.00 -0.31 0.00 0.00 175.10 174.70 2ksy n ALA 238 N -0.32 1.15 -2.81 1.32 0.00 -1.26 -5.10 120.51 113.47 2ksy n ALA 238 Ca 0.05 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.34 2ksy n ALA 238 Cb 0.53 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.84 2ksy n ALA 238 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2ksy s ASP 239 N -1.37 0.49 0.00 0.00 -4.77 -1.26 -5.00 116.67 104.75 2ksy s ASP 239 Ca 0.00 -0.07 0.00 0.00 -3.30 0.00 0.00 52.55 49.18 2ksy s ASP 239 Cb 0.00 -0.06 0.00 0.00 -1.09 0.00 0.00 42.92 41.77 2ksy s ASP 239 CO 0.00 0.05 0.00 -0.11 0.70 0.00 0.00 175.17 175.81 2ksy n LEU 240 N 3.02 0.00 -2.01 2.11 7.94 -1.26 -5.15 117.00 121.65 2ksy n LEU 240 Ca -0.13 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.77 2ksy n LEU 240 Cb 0.58 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.53 2ksy n LEU 240 CO 0.25 0.00 -0.40 1.21 -1.11 0.00 0.00 177.39 177.34 2ksy n GLU 241 N -1.10 -4.38 -2.88 1.96 4.07 -1.26 -4.97 120.64 112.09 2ksy n GLU 241 Ca 0.00 3.24 -0.35 0.00 -0.06 0.00 0.00 57.16 59.99 2ksy n GLU 241 Cb 0.00 -3.84 -0.07 0.00 -0.06 0.00 0.00 31.44 27.48 2ksy n GLU 241 CO 0.00 0.00 0.00 -1.01 -0.06 0.00 0.00 177.13 176.06 2ksy s HIS 242 N -0.47 3.53 -0.11 4.31 3.76 -1.26 -4.97 115.29 120.08 2ksy s HIS 242 Ca 0.00 1.61 0.12 0.00 -0.15 0.00 0.00 55.06 56.64 2ksy s HIS 242 Cb 0.00 -2.81 -0.17 0.00 1.11 0.00 0.00 32.58 30.70 2ksy s HIS 242 CO 0.00 0.12 0.30 1.58 -0.85 0.00 0.00 174.74 175.89 2ksy n HIS 243 N 0.12 0.00 -3.59 1.40 -0.00 -1.26 -4.93 115.22 106.95 2ksy n HIS 243 Ca 0.03 0.00 -0.38 0.00 0.46 0.00 0.00 57.72 57.83 2ksy n HIS 243 Cb 0.52 -0.22 -0.11 0.00 -0.12 0.00 0.00 29.99 30.06 2ksy n HIS 243 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2ksy s HIS 244 N -2.69 3.22 0.00 1.57 3.76 -1.26 -4.86 115.29 115.03 2ksy s HIS 244 Ca -0.03 0.12 0.00 0.00 -0.15 0.00 0.00 55.06 55.00 2ksy s HIS 244 Cb 0.08 -2.38 0.00 0.00 1.11 0.00 0.00 32.58 31.39 2ksy s HIS 244 CO 0.49 -0.16 0.00 1.58 -0.85 0.00 0.00 174.74 175.80 2ksy n HIS 245 N 5.06 0.00 -3.83 1.40 -0.00 -1.26 -5.06 115.22 111.53 2ksy n HIS 245 Ca -0.14 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.32 2ksy n HIS 245 Cb 0.52 0.04 -0.17 0.00 -0.00 0.00 0.00 29.99 30.38 2ksy n HIS 245 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2ksy s HIS 246 N -1.26 1.27 0.00 1.57 5.04 -1.26 -5.30 115.29 115.35 2ksy s HIS 246 Ca 0.00 -0.76 0.00 0.00 -1.54 0.00 0.00 55.06 52.76 2ksy s HIS 246 Cb 0.00 -1.12 0.00 0.00 0.04 0.00 0.00 32.58 31.50 2ksy s HIS 246 CO 0.00 -0.53 0.00 1.58 -2.34 0.00 0.00 174.74 173.45