#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ksy s VAL 2 N 0.00 -0.72 0.00 2.03 0.11 -1.26 -4.96 120.40 115.61 2ksy s VAL 2 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 2ksy s VAL 2 Cb 0.00 -0.77 0.00 0.00 -1.53 0.00 0.00 36.38 34.08 2ksy s VAL 2 CO 0.00 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.38 2ksy n GLY 3 N 5.33 1.40 0.21 6.54 0.00 -1.26 -4.98 105.19 112.43 2ksy n GLY 3 Ca 0.05 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.89 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 0.88 -1.93 0.99 5.85 -1.98 -3.17 115.31 115.95 2ksy h LEU 4 Ca 0.00 -0.66 -0.01 0.00 0.84 0.00 0.00 57.88 58.05 2ksy h LEU 4 Cb 0.00 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 40.77 2ksy h LEU 4 CO 0.00 1.41 -0.04 0.71 -0.34 0.00 0.00 178.44 180.18 2ksy h THR 5 N 0.43 1.01 -0.86 1.05 1.35 -1.94 -2.18 112.91 111.77 2ksy h THR 5 Ca -0.07 -0.13 0.17 0.00 -0.55 0.00 0.00 66.41 65.83 2ksy h THR 5 Cb 1.44 1.07 -0.06 0.00 -1.73 0.00 0.00 68.15 68.87 2ksy h THR 5 CO 0.16 0.04 0.57 0.71 -0.25 0.00 0.00 175.52 176.75 2ksy h THR 6 N 0.00 0.75 0.18 6.82 1.35 -1.91 -1.87 112.91 118.22 2ksy h THR 6 Ca -0.00 -0.17 0.01 0.00 -0.55 0.00 0.00 66.41 65.70 2ksy h THR 6 Cb 0.07 0.21 -0.02 0.00 -1.73 0.00 0.00 68.15 66.68 2ksy h THR 6 CO 0.01 0.09 -0.20 -0.07 -0.25 0.00 0.00 175.52 175.09 2ksy h LEU 7 N 0.49 -0.55 -1.54 3.87 4.07 -1.55 -0.66 115.31 119.44 2ksy h LEU 7 Ca 0.44 0.06 0.02 0.00 0.08 0.00 0.00 57.88 58.48 2ksy h LEU 7 Cb 0.96 0.20 -0.03 0.00 1.08 0.00 0.00 40.66 42.87 2ksy h LEU 7 CO -0.18 -0.30 0.33 -0.26 -1.08 0.00 0.00 178.44 176.96 2ksy h PHE 8 N -0.42 0.58 -0.48 1.13 0.04 -1.50 -1.59 116.94 114.69 2ksy h PHE 8 Ca 0.01 0.01 -0.09 0.00 2.80 0.00 0.00 57.97 60.70 2ksy h PHE 8 Cb 0.41 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 38.35 2ksy h PHE 8 CO -0.16 0.35 -0.04 -1.49 -0.60 0.00 0.00 178.31 176.36 2ksy h TRP 9 N 0.62 0.97 -0.18 -0.55 -0.00 -1.01 -1.40 115.95 114.39 2ksy h TRP 9 Ca 0.19 -0.18 0.01 0.00 -0.00 0.00 0.00 58.89 58.90 2ksy h TRP 9 Cb 0.02 -0.24 -0.01 0.00 -0.00 0.00 0.00 29.16 28.93 2ksy h TRP 9 CO -0.00 0.93 0.10 -0.07 -0.00 0.00 0.00 178.44 179.40 2ksy h LEU 10 N 0.73 0.17 -1.38 -4.49 3.38 -0.21 -2.03 115.31 111.48 2ksy h LEU 10 Ca 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 2ksy h LEU 10 Cb 0.57 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 2ksy h LEU 10 CO 0.03 0.13 0.26 1.23 0.09 0.00 0.00 178.44 180.17 2ksy h GLY 11 N 0.22 0.72 1.97 0.83 0.00 -1.24 -1.20 103.07 104.37 2ksy h GLY 11 Ca 0.07 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 47.05 2ksy h GLY 11 CO -0.03 0.30 -0.15 0.00 0.00 0.00 0.00 176.54 176.66 2ksy h ALA 12 N 1.60 1.71 0.24 3.60 0.00 -0.58 -2.35 119.26 123.48 2ksy h ALA 12 Ca 0.17 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2ksy h ALA 12 Cb 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2ksy h ALA 12 CO -0.03 0.22 -0.12 0.82 0.00 0.00 0.00 179.25 180.15 2ksy h ILE 13 N 0.03 0.79 -0.70 0.00 1.08 -0.55 -0.55 117.51 117.61 2ksy h ILE 13 Ca 0.01 -0.77 0.19 0.00 -0.39 0.00 0.00 64.86 63.90 2ksy h ILE 13 Cb 0.29 1.19 -0.03 0.00 -3.07 0.00 0.00 36.82 35.20 2ksy h ILE 13 CO 0.02 0.15 0.50 1.23 -0.69 0.00 0.00 178.15 179.36 2ksy h GLY 14 N -0.75 0.11 0.21 5.37 0.00 -1.28 -0.16 103.07 106.58 2ksy h GLY 14 Ca -0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 2ksy h GLY 14 CO 0.05 0.00 -0.05 -0.33 0.00 0.00 0.00 176.54 176.22 2ksy h MET 15 N 0.06 0.03 -0.15 4.80 2.86 -1.31 -1.74 114.93 119.49 2ksy h MET 15 Ca 0.34 -0.04 0.04 0.00 -2.06 0.00 0.00 59.70 57.98 2ksy h MET 15 Cb 1.25 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.89 2ksy h MET 15 CO -0.02 0.86 -0.09 1.25 1.06 0.00 0.00 176.91 179.96 2ksy h LEU 16 N -0.78 -0.30 -0.29 1.22 7.12 -0.08 0.55 115.31 122.74 2ksy h LEU 16 Ca -0.01 0.07 -0.02 0.00 0.13 0.00 0.00 57.88 58.05 2ksy h LEU 16 Cb 0.88 0.16 -0.01 0.00 -0.53 0.00 0.00 40.66 41.16 2ksy h LEU 16 CO 0.01 -0.13 0.11 1.62 -0.13 0.00 0.00 178.44 179.92 2ksy h VAL 17 N -0.09 1.19 -0.40 1.05 3.04 -1.19 -2.59 116.25 117.24 2ksy h VAL 17 Ca 0.09 -0.58 0.02 0.00 -1.01 0.00 0.00 66.70 65.21 2ksy h VAL 17 Cb 0.22 1.03 -0.03 0.00 -2.01 0.00 0.00 31.29 30.51 2ksy h VAL 17 CO -0.21 0.20 0.24 1.23 -1.01 0.00 0.00 177.57 178.02 2ksy h GLY 18 N 0.31 0.56 0.38 3.17 0.00 -0.94 0.85 103.07 107.40 2ksy h GLY 18 Ca 0.10 -0.18 0.10 0.00 0.00 0.00 0.00 47.33 47.35 2ksy h GLY 18 CO -0.01 0.15 0.27 -0.84 0.00 0.00 0.00 176.54 176.12 2ksy h THR 19 N 0.48 0.78 -0.27 4.70 2.02 0.25 0.21 112.91 121.09 2ksy h THR 19 Ca 0.16 -0.16 -0.19 0.00 0.77 0.00 0.00 66.41 66.99 2ksy h THR 19 Cb 0.01 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 66.69 2ksy h THR 19 CO -0.08 0.09 -0.58 -0.07 0.37 0.00 0.00 175.52 175.25 2ksy h LEU 20 N 0.47 0.96 -1.63 2.58 3.38 -1.12 -0.00 115.31 119.95 2ksy h LEU 20 Ca 0.33 -0.53 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 2ksy h LEU 20 Cb 0.41 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2ksy h LEU 20 CO -0.31 1.32 0.20 0.00 0.09 0.00 0.00 178.44 179.75 2ksy h ALA 21 N 0.69 1.72 0.01 1.53 0.00 0.21 -0.40 119.26 123.03 2ksy h ALA 21 Ca 0.00 -0.04 -0.31 0.00 0.00 0.00 0.00 54.91 54.57 2ksy h ALA 21 Cb 1.19 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 2ksy h ALA 21 CO 0.13 0.24 -1.80 1.19 0.00 0.00 0.00 179.25 179.01 2ksy n PHE 22 N -4.46 0.93 0.00 0.00 3.72 -0.04 -3.46 117.46 114.15 2ksy n PHE 22 Ca 0.02 0.32 -0.13 0.00 -0.05 0.00 0.00 57.45 57.61 2ksy n PHE 22 Cb 0.08 -1.17 -0.09 0.00 -0.94 0.00 0.00 39.48 37.36 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 0.90 -0.02 -0.37 4.37 0.00 -0.69 0.23 119.26 123.68 2ksy h ALA 23 Ca -0.32 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.34 2ksy h ALA 23 Cb 2.04 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.82 2ksy h ALA 23 CO 0.07 -0.30 0.11 2.35 0.00 0.00 0.00 179.25 181.49 2ksy h TRP 24 N -0.46 0.60 0.00 0.00 2.91 -1.27 -1.61 115.95 116.12 2ksy h TRP 24 Ca -0.00 -0.06 -0.05 0.00 1.13 0.00 0.00 58.89 59.90 2ksy h TRP 24 Cb 0.44 -0.17 -0.01 0.00 -0.51 0.00 0.00 29.16 28.91 2ksy h TRP 24 CO 0.07 0.58 -0.25 0.00 -1.03 0.00 0.00 178.44 177.82 2ksy h ALA 25 N 0.95 0.94 -0.06 2.65 0.00 -1.61 -3.26 119.26 118.86 2ksy h ALA 25 Ca 0.12 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 2ksy h ALA 25 Cb 0.27 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2ksy h ALA 25 CO -0.00 0.31 -0.35 0.78 0.00 0.00 0.00 179.25 179.98 2ksy h GLY 26 N 2.64 0.38 1.56 0.00 0.00 -0.19 -3.17 103.07 104.29 2ksy h GLY 26 Ca -0.00 -0.55 0.05 0.00 0.00 0.00 0.00 47.33 46.82 2ksy h GLY 26 CO 0.03 0.49 0.17 3.21 0.00 0.00 0.00 176.54 180.45 2ksy h ARG 27 N -0.15 0.00 -4.07 4.80 2.47 -1.34 -3.33 114.38 112.77 2ksy h ARG 27 Ca -0.03 0.00 -0.74 0.00 -1.26 0.00 0.00 59.98 57.96 2ksy h ARG 27 Cb 1.01 0.00 -0.29 0.00 -1.65 0.00 0.00 29.97 29.04 2ksy h ARG 27 CO 0.07 0.00 -0.27 0.34 0.56 0.00 0.00 179.97 180.67 2ksy s ASP 28 N -5.96 5.90 0.00 7.04 2.15 -1.20 -5.00 116.67 119.60 2ksy s ASP 28 Ca -0.05 -2.20 0.00 0.00 0.43 0.00 0.00 52.55 50.73 2ksy s ASP 28 Cb 0.16 -2.05 0.00 0.00 -0.30 0.00 0.00 42.92 40.73 2ksy s ASP 28 CO 0.57 -0.64 0.00 0.00 -0.17 0.00 0.00 175.17 174.93 2ksy n ALA 29 N 4.54 0.00 -1.95 3.66 0.00 -1.25 -4.90 120.51 120.62 2ksy n ALA 29 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2ksy n ALA 29 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 2ksy n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ksy n GLY 30 N 0.00 1.78 3.47 0.00 0.00 -1.26 -5.06 105.19 104.12 2ksy n GLY 30 Ca 0.00 -2.00 -0.42 0.00 0.00 0.00 0.00 46.02 43.60 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 6.07 0.00 1.61 0.15 -1.26 -4.26 113.70 115.01 2ksy s SER 31 Ca 0.00 -0.77 0.00 0.00 0.70 0.00 0.00 55.95 55.88 2ksy s SER 31 Cb 0.00 -2.14 0.00 0.00 -1.71 0.00 0.00 66.02 62.17 2ksy s SER 31 CO 0.00 -0.39 0.00 0.61 1.20 0.00 0.00 173.24 174.66 2ksy n GLY 32 N 5.13 1.01 0.14 9.45 0.00 -1.26 -4.93 105.19 114.73 2ksy n GLY 32 Ca -0.12 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.04 1.61 4.39 -1.99 -3.35 114.58 114.20 2ksy h GLU 33 Ca 0.00 0.00 0.27 0.00 0.34 0.00 0.00 59.36 59.97 2ksy h GLU 33 Cb 0.00 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 28.56 2ksy h GLU 33 CO 0.00 0.06 0.67 0.07 -1.16 0.00 0.00 179.01 178.65 2ksy h ARG 34 N 0.00 0.37 0.04 2.33 0.11 -1.90 -0.65 114.38 114.68 2ksy h ARG 34 Ca -0.02 -0.02 -0.00 0.00 0.10 0.00 0.00 59.98 60.04 2ksy h ARG 34 Cb 1.08 -0.08 0.00 0.00 1.11 0.00 0.00 29.97 32.07 2ksy h ARG 34 CO 0.01 0.25 -0.02 0.00 0.10 0.00 0.00 179.97 180.30 2ksy h ARG 35 N 0.38 -0.06 -0.05 0.08 2.47 -1.97 -0.52 114.38 114.72 2ksy h ARG 35 Ca 0.60 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 59.29 2ksy h ARG 35 Cb 1.53 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 29.85 2ksy h ARG 35 CO -0.29 0.05 -0.13 1.88 0.56 0.00 0.00 179.97 182.03 2ksy h TYR 36 N -0.15 0.07 0.16 3.04 -1.99 -1.39 -1.86 116.97 114.85 2ksy h TYR 36 Ca -0.01 -0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.71 2ksy h TYR 36 Cb 0.13 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 38.84 2ksy h TYR 36 CO -0.05 0.20 -0.08 1.88 -0.00 0.00 0.00 178.16 180.12 2ksy h TYR 37 N 0.07 -0.20 -0.80 4.88 0.05 -1.05 -2.25 116.97 117.68 2ksy h TYR 37 Ca 0.01 -0.00 0.09 0.00 0.05 0.00 0.00 58.73 58.87 2ksy h TYR 37 Cb 0.28 0.06 -0.05 0.00 1.01 0.00 0.00 36.73 38.03 2ksy h TYR 37 CO 0.00 0.19 0.52 0.28 -1.05 0.00 0.00 178.16 178.10 2ksy h VAL 38 N -0.95 0.98 0.08 -2.88 2.07 -1.07 -0.41 116.25 114.07 2ksy h VAL 38 Ca -0.02 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 2ksy h VAL 38 Cb 0.47 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 2ksy h VAL 38 CO 0.04 0.14 -0.04 0.74 0.02 0.00 0.00 177.57 178.47 2ksy h THR 39 N 0.78 1.05 -0.15 2.57 2.02 -1.41 -1.37 112.91 116.40 2ksy h THR 39 Ca 0.36 -0.44 0.03 0.00 0.77 0.00 0.00 66.41 67.13 2ksy h THR 39 Cb 0.37 1.33 -0.03 0.00 -1.74 0.00 0.00 68.15 68.09 2ksy h THR 39 CO -0.14 0.11 -0.05 0.25 0.37 0.00 0.00 175.52 176.07 2ksy h LEU 40 N -0.30 -0.17 -1.35 2.58 5.85 -0.73 -1.56 115.31 119.63 2ksy h LEU 40 Ca -0.01 0.05 0.06 0.00 0.84 0.00 0.00 57.88 58.82 2ksy h LEU 40 Cb 0.26 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.35 2ksy h LEU 40 CO 0.02 -0.06 0.48 0.58 -0.34 0.00 0.00 178.44 179.12 2ksy h VAL 41 N -0.02 1.04 -0.56 1.05 2.07 -1.08 -1.21 116.25 117.54 2ksy h VAL 41 Ca 0.07 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 2ksy h VAL 41 Cb 0.13 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.05 2ksy h VAL 41 CO -0.16 0.14 0.28 1.23 0.02 0.00 0.00 177.57 179.08 2ksy h GLY 42 N 0.79 0.83 0.75 2.17 0.00 -0.25 -1.58 103.07 105.78 2ksy h GLY 42 Ca 0.31 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 47.24 2ksy h GLY 42 CO -0.10 0.36 -0.25 -2.22 0.00 0.00 0.00 176.54 174.32 2ksy h ILE 43 N 0.78 0.37 -0.09 2.60 2.04 -0.74 -2.45 117.51 120.02 2ksy h ILE 43 Ca 0.20 -0.37 0.03 0.00 1.00 0.00 0.00 64.86 65.71 2ksy h ILE 43 Cb 0.06 0.50 -0.00 0.00 -0.74 0.00 0.00 36.82 36.64 2ksy h ILE 43 CO -0.03 0.05 0.11 -1.28 0.00 0.00 0.00 178.15 177.00 2ksy h SER 44 N -0.96 0.00 0.27 1.72 0.87 -1.40 -2.18 113.55 111.86 2ksy h SER 44 Ca -0.07 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.48 2ksy h SER 44 Cb 0.62 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.58 2ksy h SER 44 CO 0.12 0.00 -0.13 1.23 -0.53 0.00 0.00 176.83 177.52 2ksy h GLY 45 N 0.00 -0.37 1.12 5.77 0.00 -1.13 -2.29 103.07 106.17 2ksy h GLY 45 Ca 0.04 0.14 0.06 0.00 0.00 0.00 0.00 47.33 47.57 2ksy h GLY 45 CO -0.00 -0.14 0.45 0.16 0.00 0.00 0.00 176.54 177.01 2ksy h ILE 46 N -1.05 1.03 -0.43 2.60 3.07 -1.29 -0.41 117.51 121.03 2ksy h ILE 46 Ca -0.04 -0.25 -0.10 0.00 1.55 0.00 0.00 64.86 66.02 2ksy h ILE 46 Cb 0.38 0.25 -0.02 0.00 -0.27 0.00 0.00 36.82 37.16 2ksy h ILE 46 CO 0.06 0.13 -0.15 0.00 -1.05 0.00 0.00 178.15 177.14 2ksy h ALA 47 N 1.63 0.93 -0.30 0.16 0.00 -1.49 -2.67 119.26 117.51 2ksy h ALA 47 Ca 0.29 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2ksy h ALA 47 Cb 0.22 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2ksy h ALA 47 CO -0.09 0.62 0.17 0.00 0.00 0.00 0.00 179.25 179.95 2ksy h ALA 48 N 1.11 1.73 0.03 0.00 0.00 -0.47 -2.34 119.26 119.33 2ksy h ALA 48 Ca 0.11 -0.05 -0.26 0.00 0.00 0.00 0.00 54.91 54.71 2ksy h ALA 48 Cb 0.65 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 18.34 2ksy h ALA 48 CO 0.05 0.23 -1.07 -0.39 0.00 0.00 0.00 179.25 178.07 2ksy h VAL 49 N 0.41 1.33 -0.69 0.00 -1.51 -1.17 -2.37 116.25 112.25 2ksy h VAL 49 Ca 0.11 -2.40 -0.03 0.00 -1.23 0.00 0.00 66.70 63.15 2ksy h VAL 49 Cb 0.01 2.49 -0.03 0.00 -2.13 0.00 0.00 31.29 31.62 2ksy h VAL 49 CO -0.02 0.73 0.29 0.00 -1.23 0.00 0.00 177.57 177.34 2ksy h ALA 50 N 0.49 0.89 -0.19 5.19 0.00 -1.14 -0.72 119.26 123.78 2ksy h ALA 50 Ca -0.13 -0.17 -0.20 0.00 0.00 0.00 0.00 54.91 54.41 2ksy h ALA 50 Cb 1.72 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 19.25 2ksy h ALA 50 CO 0.20 0.49 -0.68 1.88 0.00 0.00 0.00 179.25 181.14 2ksy h TYR 51 N 0.97 1.05 -0.74 0.00 0.05 -1.51 -1.60 116.97 115.19 2ksy h TYR 51 Ca 0.23 -0.44 -0.04 0.00 0.05 0.00 0.00 58.73 58.53 2ksy h TYR 51 Cb 0.18 -0.17 -0.03 0.00 1.01 0.00 0.00 36.73 37.71 2ksy h TYR 51 CO 0.01 1.26 0.30 0.00 -1.05 0.00 0.00 178.16 178.69 2ksy h ALA 52 N 0.58 0.96 0.02 3.88 0.00 -1.25 -1.36 119.26 122.10 2ksy h ALA 52 Ca -0.03 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 2ksy h ALA 52 Cb 1.30 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2ksy h ALA 52 CO 0.14 0.58 -0.01 -0.39 0.00 0.00 0.00 179.25 179.57 2ksy h VAL 53 N 1.06 1.49 -0.26 0.00 -1.51 -1.14 -3.23 116.25 112.66 2ksy h VAL 53 Ca 0.25 -1.64 0.07 0.00 -1.23 0.00 0.00 66.70 64.15 2ksy h VAL 53 Cb 0.20 2.58 -0.01 0.00 -2.13 0.00 0.00 31.29 31.93 2ksy h VAL 53 CO -0.02 0.42 0.18 0.24 -1.23 0.00 0.00 177.57 177.16 2ksy h MET 54 N -0.74 0.02 -0.74 5.19 2.07 -1.30 -1.05 114.93 118.39 2ksy h MET 54 Ca -0.00 -0.00 0.03 0.00 -2.07 0.00 0.00 59.70 57.66 2ksy h MET 54 Cb 0.70 -0.01 -0.04 0.00 -1.87 0.00 0.00 31.60 30.38 2ksy h MET 54 CO 0.00 0.02 0.49 0.00 1.07 0.00 0.00 176.91 178.48 2ksy h ALA 55 N 1.87 1.56 -0.12 6.32 0.00 -1.26 -0.33 119.26 127.29 2ksy h ALA 55 Ca 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2ksy h ALA 55 Cb 0.46 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2ksy h ALA 55 CO -0.00 0.37 0.00 1.28 0.00 0.00 0.00 179.25 180.89 2ksy n LEU 56 N -4.45 1.24 -0.01 0.00 4.32 -0.45 -4.80 117.00 112.84 2ksy n LEU 56 Ca 0.09 -0.52 0.00 0.00 -0.02 0.00 0.00 56.01 55.56 2ksy n LEU 56 Cb 0.11 -0.08 0.00 0.00 -1.62 0.00 0.00 43.42 41.83 2ksy n LEU 56 CO 0.35 0.26 0.00 0.61 -1.22 0.00 0.00 177.39 177.39 2ksy n GLY 57 N 1.04 1.39 3.72 -0.72 0.00 -0.14 -5.07 105.19 105.42 2ksy n GLY 57 Ca 0.15 -0.31 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 2ksy n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ksy s VAL 58 N -2.03 5.10 0.00 1.61 1.01 -0.90 -3.72 120.40 121.47 2ksy s VAL 58 Ca 0.00 1.25 0.00 0.00 0.00 0.00 0.00 61.98 63.23 2ksy s VAL 58 Cb 0.00 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.43 2ksy s VAL 58 CO 0.00 0.29 0.00 0.61 0.00 0.00 0.00 175.10 176.00 2ksy n GLY 59 N 3.14 1.44 3.57 4.51 0.00 -1.26 -4.13 105.19 112.46 2ksy n GLY 59 Ca -0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.87 1.89 -0.17 1.61 0.52 -1.24 -2.15 118.94 116.52 2ksy s TRP 60 Ca 0.00 0.58 -0.10 0.00 0.02 0.00 0.00 56.10 56.59 2ksy s TRP 60 Cb 0.00 -3.99 -0.05 0.00 -1.15 0.00 0.00 33.47 28.28 2ksy s TRP 60 CO 0.00 -1.34 0.17 0.54 0.02 0.00 0.00 176.95 176.35 2ksy s VAL 61 N 10.97 5.39 0.44 4.03 0.11 -0.75 -4.98 120.40 135.61 2ksy s VAL 61 Ca 0.69 0.29 -0.22 0.00 -2.93 0.00 0.00 61.98 59.81 2ksy s VAL 61 Cb -0.03 -3.50 -0.09 0.00 -1.53 0.00 0.00 36.38 31.24 2ksy s VAL 61 CO 0.09 0.47 1.03 -2.16 -3.33 0.00 0.00 175.10 171.20 2ksy s PRO 62 N 0.07 4.01 -0.31 1.54 0.04 -1.26 -1.89 135.00 137.20 2ksy s PRO 62 Ca 0.12 1.39 -0.02 0.00 0.04 0.00 0.00 61.00 62.53 2ksy s PRO 62 Cb -0.12 -2.29 0.12 0.00 0.04 0.00 0.00 34.50 32.25 2ksy s PRO 62 CO 0.01 -0.26 0.20 0.08 0.04 0.00 0.00 177.00 177.07 2ksy s VAL 63 N -1.87 -0.11 0.00 -0.36 1.01 0.82 -4.89 120.40 115.00 2ksy s VAL 63 Ca 0.63 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.69 2ksy s VAL 63 Cb -0.18 -0.99 0.00 0.00 0.00 0.00 0.00 36.38 35.22 2ksy s VAL 63 CO 0.22 -0.72 0.00 0.00 0.00 0.00 0.00 175.10 174.60 2ksy n ALA 64 N 4.94 0.00 -0.00 5.51 0.00 -1.26 -0.60 120.51 129.11 2ksy n ALA 64 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2ksy n ALA 64 Cb 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.86 2ksy n ALA 64 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2ksy n GLU 65 N 0.00 0.39 -4.18 0.00 -0.58 -1.26 -5.05 120.64 109.96 2ksy n GLU 65 Ca 0.00 -0.01 -0.23 0.00 -0.42 0.00 0.00 57.16 56.50 2ksy n GLU 65 Cb 0.00 -1.03 -0.06 0.00 -0.57 0.00 0.00 31.44 29.78 2ksy n GLU 65 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 2ksy s ARG 66 N -2.08 2.46 0.01 3.49 1.70 0.23 -5.14 118.95 119.63 2ksy s ARG 66 Ca -0.00 -1.38 0.05 0.00 -0.47 0.00 0.00 55.73 53.93 2ksy s ARG 66 Cb 0.01 -2.26 -0.03 0.00 -0.57 0.00 0.00 34.95 32.10 2ksy s ARG 66 CO 0.05 0.29 -0.15 0.99 -1.08 0.00 0.00 175.30 175.39 2ksy s THR 67 N -2.32 2.98 0.05 4.99 2.01 -1.26 -0.13 115.64 121.96 2ksy s THR 67 Ca 0.34 -0.98 0.05 0.00 0.31 0.00 0.00 61.69 61.41 2ksy s THR 67 Cb -0.06 -2.23 -0.02 0.00 0.01 0.00 0.00 72.50 70.20 2ksy s THR 67 CO 0.22 0.43 -0.15 0.68 -0.69 0.00 0.00 174.62 175.10 2ksy s VAL 68 N -0.87 1.22 -0.28 3.82 -7.23 -0.79 -4.95 120.40 111.32 2ksy s VAL 68 Ca 0.14 -1.10 -0.08 0.00 -1.81 0.00 0.00 61.98 59.13 2ksy s VAL 68 Cb -0.11 -1.11 -0.01 0.00 0.56 0.00 0.00 36.38 35.71 2ksy s VAL 68 CO 0.04 -0.01 0.09 -0.36 -0.31 0.00 0.00 175.10 174.55 2ksy s PHE 69 N -0.92 3.12 0.28 2.82 0.08 -1.26 -1.82 117.98 120.28 2ksy s PHE 69 Ca 0.02 -0.62 0.05 0.00 0.12 0.00 0.00 56.93 56.50 2ksy s PHE 69 Cb -0.08 -2.27 0.42 0.00 -0.57 0.00 0.00 43.02 40.52 2ksy s PHE 69 CO 0.02 -0.44 1.69 -0.24 -0.10 0.00 0.00 175.22 176.14 2ksy h VAL 70 N 5.66 1.30 0.00 -0.44 3.04 -1.75 -3.13 116.25 120.94 2ksy h VAL 70 Ca -0.35 -1.49 0.00 0.00 -1.01 0.00 0.00 66.70 63.85 2ksy h VAL 70 Cb 1.15 1.62 0.00 0.00 -2.01 0.00 0.00 31.29 32.05 2ksy h VAL 70 CO 0.59 0.45 0.00 -0.65 -1.01 0.00 0.00 177.57 176.96 2ksy h PRO 71 N 0.27 0.00 0.33 4.17 0.11 -1.83 -2.78 132.00 132.26 2ksy h PRO 71 Ca 0.03 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.12 2ksy h PRO 71 Cb 0.80 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.92 2ksy h PRO 71 CO 0.06 0.00 -0.16 0.00 -0.21 0.00 0.00 178.00 177.70 2ksy h ARG 72 N 0.00 -0.43 -0.10 1.05 2.47 -1.92 -0.09 114.38 115.37 2ksy h ARG 72 Ca 0.00 0.03 -0.14 0.00 -1.26 0.00 0.00 59.98 58.61 2ksy h ARG 72 Cb 0.45 0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.86 2ksy h ARG 72 CO 0.00 -0.10 -0.55 1.88 0.56 0.00 0.00 179.97 181.76 2ksy h TYR 73 N -0.83 0.36 -0.16 3.04 0.05 -1.71 -2.70 116.97 115.02 2ksy h TYR 73 Ca -0.05 -0.13 -0.09 0.00 0.05 0.00 0.00 58.73 58.52 2ksy h TYR 73 Cb 0.52 -0.07 -0.00 0.00 1.01 0.00 0.00 36.73 38.19 2ksy h TYR 73 CO 0.03 0.77 -0.27 0.97 -1.05 0.00 0.00 178.16 178.61 2ksy h ILE 74 N 0.22 1.36 -0.60 -2.88 -0.00 -1.54 -2.38 117.51 111.68 2ksy h ILE 74 Ca 0.00 -1.51 0.03 0.00 -0.00 0.00 0.00 64.86 63.38 2ksy h ILE 74 Cb 1.04 1.95 -0.03 0.00 -0.00 0.00 0.00 36.82 39.78 2ksy h ILE 74 CO 0.09 0.45 0.40 -0.78 -0.00 0.00 0.00 178.15 178.31 2ksy h ASP 75 N 0.08 0.61 -0.24 2.19 3.58 -0.99 -0.09 116.42 121.56 2ksy h ASP 75 Ca 0.01 -0.01 -0.08 0.00 0.42 0.00 0.00 57.03 57.37 2ksy h ASP 75 Cb 0.85 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.74 2ksy h ASP 75 CO 0.06 0.43 -0.11 -0.50 -2.88 0.00 0.00 179.24 176.23 2ksy h TRP 76 N 0.71 0.69 -0.05 0.28 6.55 -1.35 0.22 115.95 123.01 2ksy h TRP 76 Ca 0.24 -0.12 -0.06 0.00 0.95 0.00 0.00 58.89 59.90 2ksy h TRP 76 Cb 0.07 -0.18 -0.01 0.00 -0.86 0.00 0.00 29.16 28.17 2ksy h TRP 76 CO -0.00 0.73 -0.25 0.82 -1.05 0.00 0.00 178.44 178.68 2ksy h ILE 77 N 0.59 1.21 0.00 1.49 2.04 -0.50 0.94 117.51 123.28 2ksy h ILE 77 Ca 0.10 -0.97 -0.01 0.00 1.00 0.00 0.00 64.86 64.98 2ksy h ILE 77 Cb 0.54 1.46 -0.00 0.00 -0.74 0.00 0.00 36.82 38.07 2ksy h ILE 77 CO 0.03 0.29 -1.25 0.18 0.00 0.00 0.00 178.15 177.40 2ksy n LEU 78 N -4.20 0.67 -0.11 1.44 4.77 -0.82 -4.30 117.00 114.45 2ksy n LEU 78 Ca -0.02 0.26 -0.24 0.00 -0.03 0.00 0.00 56.01 55.98 2ksy n LEU 78 Cb 0.33 -0.03 -0.11 0.00 -2.33 0.00 0.00 43.42 41.27 2ksy n LEU 78 CO 0.38 -0.12 -0.96 0.35 -1.33 0.00 0.00 177.39 175.71 2ksy n THR 79 N -2.61 1.56 -0.16 -5.08 -2.24 0.72 -4.35 114.28 102.12 2ksy n THR 79 Ca -0.02 -0.28 -0.02 0.00 -2.27 0.00 0.00 64.05 61.47 2ksy n THR 79 Cb 0.58 -1.90 0.06 0.00 -2.10 0.00 0.00 70.33 66.97 2ksy n THR 79 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2ksy h THR 80 N -0.79 0.58 -0.17 4.28 2.02 -1.04 0.85 112.91 118.64 2ksy h THR 80 Ca -0.51 -0.03 0.05 0.00 0.77 0.00 0.00 66.41 66.69 2ksy h THR 80 Cb 1.55 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 68.43 2ksy h THR 80 CO -0.24 0.02 0.24 1.55 0.37 0.00 0.00 175.52 177.45 2ksy h PRO 81 N 0.10 0.00 0.03 6.66 0.13 -1.77 -1.07 132.00 136.07 2ksy h PRO 81 Ca 0.26 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.27 2ksy h PRO 81 Cb 0.39 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.53 2ksy h PRO 81 CO -0.44 0.00 -0.46 -0.07 -0.23 0.00 0.00 178.00 176.80 2ksy h LEU 82 N 0.00 0.36 0.34 1.56 4.07 -1.04 -2.19 115.31 118.40 2ksy h LEU 82 Ca 0.08 -0.83 -0.02 0.00 0.08 0.00 0.00 57.88 57.20 2ksy h LEU 82 Cb 0.56 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.19 2ksy h LEU 82 CO -0.00 1.14 -0.16 0.40 -1.08 0.00 0.00 178.44 178.74 2ksy h ILE 83 N -0.38 0.67 -0.59 1.22 1.08 -0.71 -0.44 117.51 118.36 2ksy h ILE 83 Ca -0.07 -0.08 0.03 0.00 -0.39 0.00 0.00 64.86 64.35 2ksy h ILE 83 Cb 1.24 0.71 -0.03 0.00 -3.07 0.00 0.00 36.82 35.67 2ksy h ILE 83 CO 0.09 0.02 0.39 -0.37 -0.69 0.00 0.00 178.15 177.59 2ksy h VAL 84 N -0.50 1.09 -0.16 1.67 -1.51 -1.45 0.00 116.25 115.40 2ksy h VAL 84 Ca -0.05 -0.25 -0.06 0.00 -1.23 0.00 0.00 66.70 65.11 2ksy h VAL 84 Cb 0.38 0.31 -0.01 0.00 -2.13 0.00 0.00 31.29 29.84 2ksy h VAL 84 CO 0.08 0.13 -0.19 0.22 -1.23 0.00 0.00 177.57 176.58 2ksy h TYR 85 N 0.72 0.28 0.11 5.19 3.20 -0.96 -0.04 116.97 125.47 2ksy h TYR 85 Ca 0.23 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.05 2ksy h TYR 85 Cb 0.04 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.24 2ksy h TYR 85 CO -0.00 0.45 -0.05 0.35 -1.64 0.00 0.00 178.16 177.27 2ksy h PHE 86 N 0.25 -0.13 -0.09 -3.82 3.04 0.71 -1.67 116.94 115.22 2ksy h PHE 86 Ca 0.04 -0.00 -0.08 0.00 3.98 0.00 0.00 57.97 61.91 2ksy h PHE 86 Cb 0.49 0.04 -0.01 0.00 2.56 0.00 0.00 35.95 39.03 2ksy h PHE 86 CO 0.01 -0.01 -0.31 -0.07 -2.02 0.00 0.00 178.31 175.90 2ksy h LEU 87 N -0.22 0.17 -1.90 0.59 4.07 -1.28 -2.29 115.31 114.46 2ksy h LEU 87 Ca -0.01 -0.05 -0.02 0.00 0.08 0.00 0.00 57.88 57.87 2ksy h LEU 87 Cb 0.18 -0.05 -0.00 0.00 1.08 0.00 0.00 40.66 41.87 2ksy h LEU 87 CO 0.02 0.48 -0.11 1.23 -1.08 0.00 0.00 178.44 178.98 2ksy h GLY 88 N 1.04 0.00 0.11 0.83 0.00 -0.53 -1.41 103.07 103.11 2ksy h GLY 88 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.34 2ksy h GLY 88 CO 0.05 0.00 -0.04 1.41 0.00 0.00 0.00 176.54 177.96 2ksy h LEU 89 N 0.00 0.03 -1.75 3.11 3.38 -0.75 0.10 115.31 119.42 2ksy h LEU 89 Ca -0.00 -0.92 0.10 0.00 0.09 0.00 0.00 57.88 57.15 2ksy h LEU 89 Cb 0.22 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 2ksy h LEU 89 CO 0.01 0.94 0.35 -0.07 0.09 0.00 0.00 178.44 179.77 2ksy h LEU 90 N -0.89 0.25 0.00 1.67 3.38 -1.25 -2.83 115.31 115.64 2ksy h LEU 90 Ca -0.01 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 2ksy h LEU 90 Cb 0.95 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 2ksy h LEU 90 CO 0.01 0.15 -0.39 0.00 0.09 0.00 0.00 178.44 178.30 2ksy h ALA 91 N 1.74 0.07 -1.40 1.53 0.00 -1.33 -3.37 119.26 116.50 2ksy h ALA 91 Ca 0.24 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2ksy h ALA 91 Cb 0.58 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2ksy h ALA 91 CO -0.05 0.24 0.00 0.41 0.00 0.00 0.00 179.25 179.85 2ksy n GLY 92 N 1.60 0.25 0.99 0.00 0.00 0.02 -3.58 105.19 104.47 2ksy n GLY 92 Ca -0.14 -0.47 -0.07 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.42 0.00 0.00 0.99 4.32 -1.21 -5.01 117.00 115.67 2ksy n LEU 93 Ca 0.00 -0.43 -0.05 0.00 -0.02 0.00 0.00 56.01 55.52 2ksy n LEU 93 Cb 0.19 -0.23 0.02 0.00 -1.62 0.00 0.00 43.42 41.78 2ksy n LEU 93 CO 0.00 -0.70 0.09 0.47 -1.22 0.00 0.00 177.39 176.03 2ksy n ASP 94 N -3.14 0.46 0.09 -1.43 9.92 -1.26 -4.90 116.55 116.29 2ksy n ASP 94 Ca 0.04 -1.34 -0.13 0.00 -0.53 0.00 0.00 54.79 52.83 2ksy n ASP 94 Cb 0.15 -0.11 -0.08 0.00 -0.64 0.00 0.00 41.12 40.44 2ksy n ASP 94 CO 0.00 0.00 0.00 -1.28 0.13 0.00 0.00 177.20 176.05 2ksy h SER 95 N -0.00 -0.21 0.27 -2.24 0.87 -2.00 -2.08 113.55 108.16 2ksy h SER 95 Ca -0.06 -0.27 -0.20 0.00 -1.23 0.00 0.00 61.79 60.03 2ksy h SER 95 Cb 0.29 0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.30 2ksy h SER 95 CO 0.09 0.19 -0.79 0.03 -0.53 0.00 0.00 176.83 175.82 2ksy h ARG 96 N -0.64 0.42 -0.74 2.24 3.08 -2.00 -3.15 114.38 113.60 2ksy h ARG 96 Ca -0.02 -0.37 -0.00 0.00 0.07 0.00 0.00 59.98 59.65 2ksy h ARG 96 Cb 0.46 0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.56 2ksy h ARG 96 CO 0.04 1.02 0.45 0.93 -1.07 0.00 0.00 179.97 181.34 2ksy h GLU 97 N 0.27 1.00 -0.84 0.04 3.07 -1.95 -1.94 114.58 114.24 2ksy h GLU 97 Ca -0.04 -0.09 -0.02 0.00 -0.50 0.00 0.00 59.36 58.71 2ksy h GLU 97 Cb 1.38 -0.21 -0.04 0.00 -0.84 0.00 0.00 28.75 29.04 2ksy h GLU 97 CO 0.14 0.70 0.45 0.74 -1.40 0.00 0.00 179.01 179.64 2ksy h PHE 98 N 1.01 1.16 -0.10 4.33 0.04 -1.38 -2.30 116.94 119.69 2ksy h PHE 98 Ca 0.27 -0.03 -0.06 0.00 2.80 0.00 0.00 57.97 60.94 2ksy h PHE 98 Cb -0.04 -0.37 -0.01 0.00 2.20 0.00 0.00 35.95 37.73 2ksy h PHE 98 CO -0.01 0.81 -0.23 0.78 -0.60 0.00 0.00 178.31 179.06 2ksy h GLY 99 N 1.17 0.19 0.94 -1.45 0.00 -1.39 -2.36 103.07 100.17 2ksy h GLY 99 Ca 0.29 -0.13 -0.09 0.00 0.00 0.00 0.00 47.33 47.41 2ksy h GLY 99 CO -0.05 0.12 -0.12 -2.22 0.00 0.00 0.00 176.54 174.28 2ksy h ILE 100 N 0.16 1.28 0.03 2.60 2.04 -0.81 -1.60 117.51 121.22 2ksy h ILE 100 Ca 0.03 -1.20 -0.00 0.00 1.00 0.00 0.00 64.86 64.68 2ksy h ILE 100 Cb 0.50 1.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.92 2ksy h ILE 100 CO 0.03 0.39 -0.02 0.58 0.00 0.00 0.00 178.15 179.14 2ksy h VAL 101 N 0.47 1.19 -0.07 1.67 2.07 -1.31 -2.22 116.25 118.05 2ksy h VAL 101 Ca 0.08 -0.73 0.01 0.00 0.82 0.00 0.00 66.70 66.88 2ksy h VAL 101 Cb 0.63 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 32.07 2ksy h VAL 101 CO 0.04 0.18 0.02 0.40 0.02 0.00 0.00 177.57 178.24 2ksy h ILE 102 N -0.36 0.98 -0.01 4.57 1.08 -1.47 -2.04 117.51 120.26 2ksy h ILE 102 Ca -0.00 -0.02 0.00 0.00 -0.39 0.00 0.00 64.86 64.45 2ksy h ILE 102 Cb 0.34 0.92 -0.00 0.00 -3.07 0.00 0.00 36.82 35.01 2ksy h ILE 102 CO 0.01 0.01 0.00 0.00 -0.69 0.00 0.00 178.15 177.48 2ksy h THR 103 N 0.06 0.99 0.69 -0.27 1.03 -1.33 -2.09 112.91 111.99 2ksy h THR 103 Ca 0.03 0.00 -0.03 0.00 -0.01 0.00 0.00 66.41 66.40 2ksy h THR 103 Cb 0.01 1.00 0.01 0.00 -1.07 0.00 0.00 68.15 68.10 2ksy h THR 103 CO -0.03 0.00 -0.33 0.25 -0.01 0.00 0.00 175.52 175.40 2ksy h LEU 104 N 0.00 -0.79 -2.32 0.00 7.12 -0.72 -2.31 115.31 116.29 2ksy h LEU 104 Ca 0.00 0.02 0.01 0.00 0.13 0.00 0.00 57.88 58.04 2ksy h LEU 104 Cb 0.01 0.20 -0.00 0.00 -0.53 0.00 0.00 40.66 40.34 2ksy h LEU 104 CO -0.00 -0.54 0.05 0.78 -0.13 0.00 0.00 178.44 178.60 2ksy h ASN 105 N -0.96 0.00 0.26 1.25 2.35 -1.20 -2.44 115.58 114.84 2ksy h ASN 105 Ca -0.09 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.64 2ksy h ASN 105 Cb 0.72 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.09 2ksy h ASN 105 CO 0.16 0.00 -0.12 0.74 -1.65 0.00 0.00 177.43 176.55 2ksy h THR 106 N 0.00 0.77 -0.64 2.81 2.02 -0.84 -1.13 112.91 115.90 2ksy h THR 106 Ca 0.02 -0.15 -0.02 0.00 0.77 0.00 0.00 66.41 67.03 2ksy h THR 106 Cb 0.12 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 67.35 2ksy h THR 106 CO -0.00 0.03 0.30 0.58 0.37 0.00 0.00 175.52 176.80 2ksy h VAL 107 N -0.42 1.21 0.80 3.16 2.07 -1.08 -2.06 116.25 119.91 2ksy h VAL 107 Ca -0.04 -0.60 -0.04 0.00 0.82 0.00 0.00 66.70 66.85 2ksy h VAL 107 Cb 0.32 0.40 0.01 0.00 -1.52 0.00 0.00 31.29 30.50 2ksy h VAL 107 CO 0.06 0.25 -0.38 0.58 0.02 0.00 0.00 177.57 178.09 2ksy h VAL 108 N 0.90 0.22 -0.76 2.57 2.07 -1.24 -1.31 116.25 118.69 2ksy h VAL 108 Ca 0.22 -0.01 0.06 0.00 0.82 0.00 0.00 66.70 67.79 2ksy h VAL 108 Cb 0.10 0.22 -0.06 0.00 -1.52 0.00 0.00 31.29 30.03 2ksy h VAL 108 CO -0.03 0.00 0.45 -0.03 0.02 0.00 0.00 177.57 177.98 2ksy h MET 109 N -1.08 0.80 -0.08 1.57 4.05 -1.12 -0.81 114.93 118.26 2ksy h MET 109 Ca -0.11 -0.05 -0.03 0.00 -0.28 0.00 0.00 59.70 59.24 2ksy h MET 109 Cb 0.82 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 31.43 2ksy h MET 109 CO 0.18 0.53 -0.08 1.25 0.23 0.00 0.00 176.91 179.02 2ksy h LEU 110 N 0.82 0.11 0.48 3.39 5.85 -1.28 -1.27 115.31 123.40 2ksy h LEU 110 Ca 0.34 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 59.02 2ksy h LEU 110 Cb 0.18 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.19 2ksy h LEU 110 CO -0.18 0.21 -0.23 0.00 -0.34 0.00 0.00 178.44 177.90 2ksy h ALA 111 N 1.81 -0.64 -0.61 1.25 0.00 0.06 -2.71 119.26 118.41 2ksy h ALA 111 Ca 0.03 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2ksy h ALA 111 Cb 0.22 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2ksy h ALA 111 CO 0.01 -0.77 0.32 0.78 0.00 0.00 0.00 179.25 179.59 2ksy h GLY 112 N -0.82 0.91 0.00 0.00 0.00 -1.28 0.10 103.07 101.99 2ksy h GLY 112 Ca -0.07 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 46.86 2ksy h GLY 112 CO 0.11 0.39 0.00 0.33 0.00 0.00 0.00 176.54 177.37 2ksy n PHE 113 N -4.37 0.00 0.31 5.60 -0.00 -0.50 -1.93 117.46 116.57 2ksy n PHE 113 Ca 0.06 0.00 0.20 0.00 -0.00 0.00 0.00 57.45 57.71 2ksy n PHE 113 Cb 0.11 -0.41 0.97 0.00 -0.00 0.00 0.00 39.48 40.15 2ksy n PHE 113 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2ksy h ALA 114 N -1.68 1.00 -0.14 3.13 0.00 -1.50 -2.93 119.26 117.15 2ksy h ALA 114 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.95 2ksy h ALA 114 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 2ksy h ALA 114 CO 0.00 0.00 -0.14 0.78 0.00 0.00 0.00 179.25 179.89 2ksy h GLY 115 N 0.79 -0.04 2.00 0.00 0.00 -0.09 -1.27 103.07 104.45 2ksy h GLY 115 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.50 2ksy h GLY 115 CO 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 176.54 176.40 2ksy n ALA 116 N -2.54 2.17 0.21 3.60 0.00 -1.02 -3.23 120.51 119.70 2ksy n ALA 116 Ca -0.03 -0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.46 2ksy n ALA 116 Cb 0.20 -1.46 0.20 0.00 0.00 0.00 0.00 19.45 18.40 2ksy n ALA 116 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2ksy n MET 117 N -2.28 2.75 -2.84 0.00 2.00 -0.51 -4.93 117.12 111.31 2ksy n MET 117 Ca 0.05 -1.61 -0.37 0.00 0.00 0.00 0.00 57.70 55.77 2ksy n MET 117 Cb 0.40 -1.74 -0.06 0.00 0.00 0.00 0.00 33.22 31.82 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 -1.80 4.27 -1.91 2.03 -7.23 -1.04 -4.95 120.40 109.76 2ksy s VAL 118 Ca 0.28 1.75 0.30 0.00 -1.81 0.00 0.00 61.98 62.50 2ksy s VAL 118 Cb 0.20 -4.01 0.70 0.00 0.56 0.00 0.00 36.38 33.83 2ksy s VAL 118 CO 0.11 0.18 2.05 -0.81 -0.31 0.00 0.00 175.10 176.33 2ksy n PRO 119 N 0.67 0.94 0.00 4.82 -0.04 -1.26 -4.89 135.00 135.24 2ksy n PRO 119 Ca 0.01 -0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 2ksy n PRO 119 Cb 0.50 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 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 1.13 4.07 0.91 0.55 0.00 -1.26 -5.03 105.19 105.56 2ksy n GLY 120 Ca 0.20 -0.36 0.07 0.00 0.00 0.00 0.00 46.02 45.93 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 1.31 0.28 -0.61 -5.35 -1.26 -4.53 119.36 109.20 2ksy n ILE 121 Ca 0.00 -1.16 0.19 0.00 -0.27 0.00 0.00 62.75 61.51 2ksy n ILE 121 Cb 0.00 0.34 1.00 0.00 -1.74 0.00 0.00 39.64 39.23 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 2.60 0.00 -1.00 6.28 5.08 -1.94 -2.70 114.58 122.90 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 0.97 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.13 2ksy h GLU 122 CO 0.06 0.00 0.63 0.07 -1.00 0.00 0.00 179.01 178.78 2ksy h ARG 123 N 0.00 0.51 -0.49 2.33 0.11 -1.80 0.16 114.38 115.21 2ksy h ARG 123 Ca 0.00 -0.03 0.04 0.00 0.10 0.00 0.00 59.98 60.09 2ksy h ARG 123 Cb 0.01 -0.11 -0.03 0.00 1.11 0.00 0.00 29.97 30.95 2ksy h ARG 123 CO 0.00 0.34 0.33 1.88 0.10 0.00 0.00 179.97 182.61 2ksy h TYR 124 N 0.52 0.48 -0.00 4.08 0.05 -1.82 -1.62 116.97 118.66 2ksy h TYR 124 Ca 0.58 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 59.36 2ksy h TYR 124 Cb 1.24 -0.16 0.00 0.00 1.01 0.00 0.00 36.73 38.82 2ksy h TYR 124 CO -0.00 0.27 -0.02 0.00 -1.05 0.00 0.00 178.16 177.36 2ksy h ALA 125 N 1.73 0.01 -0.58 3.88 0.00 -0.91 -2.06 119.26 121.33 2ksy h ALA 125 Ca 0.20 -0.36 0.10 0.00 0.00 0.00 0.00 54.91 54.85 2ksy h ALA 125 Cb 0.19 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.90 2ksy h ALA 125 CO -0.05 -0.12 0.17 -0.07 0.00 0.00 0.00 179.25 179.17 2ksy h LEU 126 N -0.68 0.10 -0.72 0.00 4.07 -1.19 -0.74 115.31 116.16 2ksy h LEU 126 Ca -0.00 0.09 -0.11 0.00 0.08 0.00 0.00 57.88 57.94 2ksy h LEU 126 Cb 0.73 0.10 -0.02 0.00 1.08 0.00 0.00 40.66 42.56 2ksy h LEU 126 CO 0.00 0.07 -0.17 0.15 -1.08 0.00 0.00 178.44 177.41 2ksy h PHE 127 N 0.32 0.91 -0.80 1.13 3.57 -1.38 -2.63 116.94 118.05 2ksy h PHE 127 Ca 0.30 -0.19 0.19 0.00 3.53 0.00 0.00 57.97 61.80 2ksy h PHE 127 Cb 0.40 -0.22 -0.13 0.00 2.79 0.00 0.00 35.95 38.78 2ksy h PHE 127 CO -0.21 0.92 0.11 0.78 -2.23 0.00 0.00 178.31 177.68 2ksy h GLY 128 N 0.96 1.06 1.06 2.40 0.00 -0.38 0.75 103.07 108.94 2ksy h GLY 128 Ca 0.11 0.04 -0.12 0.00 0.00 0.00 0.00 47.33 47.36 2ksy h GLY 128 CO 0.05 -0.31 -0.19 1.98 0.00 0.00 0.00 176.54 178.08 2ksy h MET 129 N 0.17 0.92 0.00 4.80 1.85 -1.32 -2.68 114.93 118.66 2ksy h MET 129 Ca 0.47 -0.39 -0.01 0.00 -0.61 0.00 0.00 59.70 59.16 2ksy h MET 129 Cb 0.87 -0.03 -0.00 0.00 0.43 0.00 0.00 31.60 32.86 2ksy h MET 129 CO -0.64 1.04 -0.07 0.78 -0.40 0.00 0.00 176.91 177.62 2ksy h GLY 130 N 0.75 0.00 0.25 1.39 0.00 0.29 -1.92 103.07 103.83 2ksy h GLY 130 Ca 0.10 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.43 2ksy h GLY 130 CO 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 176.54 176.56 2ksy h ALA 131 N 1.93 -0.12 -0.98 3.60 0.00 0.56 0.73 119.26 124.98 2ksy h ALA 131 Ca -0.00 -0.27 0.10 0.00 0.00 0.00 0.00 54.91 54.74 2ksy h ALA 131 Cb 0.26 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.02 2ksy h ALA 131 CO 0.01 -0.19 0.62 0.28 0.00 0.00 0.00 179.25 179.96 2ksy h VAL 132 N -0.87 0.96 -0.25 0.00 2.07 -1.34 -0.33 116.25 116.49 2ksy h VAL 132 Ca -0.01 -0.35 -0.14 0.00 0.82 0.00 0.00 66.70 67.02 2ksy h VAL 132 Cb 0.58 -0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 2ksy h VAL 132 CO 0.02 0.19 -0.42 0.00 0.02 0.00 0.00 177.57 177.37 2ksy h ALA 133 N 1.51 0.79 0.35 1.67 0.00 -1.40 -2.69 119.26 119.49 2ksy h ALA 133 Ca 0.47 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2ksy h ALA 133 Cb 0.39 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2ksy h ALA 133 CO -0.24 0.66 -0.52 0.35 0.00 0.00 0.00 179.25 179.50 2ksy h PHE 134 N 0.50 -1.47 -0.71 0.00 3.57 0.91 -0.86 116.94 118.88 2ksy h PHE 134 Ca 0.04 0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.66 2ksy h PHE 134 Cb 0.94 0.59 -0.05 0.00 2.79 0.00 0.00 35.95 40.23 2ksy h PHE 134 CO 0.04 -0.65 0.47 -0.84 -2.23 0.00 0.00 178.31 175.10 2ksy h ILE 135 N -0.91 0.91 -0.73 1.41 3.07 -1.48 -0.93 117.51 118.85 2ksy h ILE 135 Ca -0.04 -0.20 0.05 0.00 1.55 0.00 0.00 64.86 66.22 2ksy h ILE 135 Cb 0.83 0.29 -0.05 0.00 -0.27 0.00 0.00 36.82 37.62 2ksy h ILE 135 CO -0.15 0.11 0.44 1.23 -1.05 0.00 0.00 178.15 178.72 2ksy h GLY 136 N 0.58 1.08 0.85 0.16 0.00 -0.89 0.17 103.07 105.02 2ksy h GLY 136 Ca 0.33 -0.32 -0.03 0.00 0.00 0.00 0.00 47.33 47.31 2ksy h GLY 136 CO -0.11 0.23 -0.34 -2.00 0.00 0.00 0.00 176.54 174.32 2ksy h LEU 137 N 0.83 -0.80 -1.82 3.11 7.12 0.12 -2.26 115.31 121.60 2ksy h LEU 137 Ca 0.31 -0.00 0.16 0.00 0.13 0.00 0.00 57.88 58.48 2ksy h LEU 137 Cb 0.12 0.21 -0.03 0.00 -0.53 0.00 0.00 40.66 40.42 2ksy h LEU 137 CO -0.15 -0.47 0.45 -0.37 -0.13 0.00 0.00 178.44 177.77 2ksy h VAL 138 N -1.11 0.74 -0.36 1.05 -1.51 -1.31 0.33 116.25 114.08 2ksy h VAL 138 Ca -0.10 -0.06 -0.05 0.00 -1.23 0.00 0.00 66.70 65.26 2ksy h VAL 138 Cb 0.75 0.56 -0.02 0.00 -2.13 0.00 0.00 31.29 30.45 2ksy h VAL 138 CO 0.16 0.03 -0.00 0.22 -1.23 0.00 0.00 177.57 176.74 2ksy h TYR 139 N 0.17 0.60 -0.06 5.19 3.20 -0.33 -1.88 116.97 123.85 2ksy h TYR 139 Ca 0.32 -0.06 -0.02 0.00 3.14 0.00 0.00 58.73 62.10 2ksy h TYR 139 Cb 1.00 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 39.10 2ksy h TYR 139 CO -0.00 0.58 -0.03 1.88 -1.64 0.00 0.00 178.16 178.95 2ksy h TYR 140 N 0.55 0.15 0.00 -3.82 0.05 0.23 0.44 116.97 114.56 2ksy h TYR 140 Ca 0.11 -0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.86 2ksy h TYR 140 Cb 0.36 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.06 2ksy h TYR 140 CO 0.01 0.51 0.00 1.37 -1.05 0.00 0.00 178.16 179.01 2ksy h LEU 141 N -0.25 0.00 0.00 3.88 8.10 -1.32 -2.25 115.31 123.47 2ksy h LEU 141 Ca 0.01 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.00 2ksy h LEU 141 Cb 0.47 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.69 2ksy h LEU 141 CO 0.01 0.00 -1.82 0.52 -4.11 0.00 0.00 178.44 173.04 2ksy n VAL 142 N -2.49 0.00 0.00 0.15 0.31 -0.72 -3.75 118.33 111.83 2ksy n VAL 142 Ca 0.01 -0.42 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 2ksy n VAL 142 Cb 0.22 0.15 0.00 0.00 -0.91 0.00 0.00 33.84 33.30 2ksy n VAL 142 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ksy n GLY 143 N 1.35 0.76 0.39 2.92 0.00 0.15 -4.44 105.19 106.33 2ksy n GLY 143 Ca -0.03 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.16 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 0.48 -0.88 1.61 0.11 -1.83 -0.90 132.00 130.58 2ksy h PRO 144 Ca 0.00 -0.03 0.11 0.00 0.11 0.00 0.00 66.00 66.19 2ksy h PRO 144 Cb 0.00 -0.11 -0.07 0.00 0.11 0.00 0.00 31.00 30.94 2ksy h PRO 144 CO 0.00 0.32 0.57 0.52 -0.21 0.00 0.00 178.00 179.20 2ksy h MET 145 N 0.49 0.79 -0.40 1.05 2.86 -1.81 0.15 114.93 118.05 2ksy h MET 145 Ca 0.48 -0.05 -0.11 0.00 -2.06 0.00 0.00 59.70 57.96 2ksy h MET 145 Cb 1.07 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.55 2ksy h MET 145 CO -0.21 0.52 -0.19 1.15 1.06 0.00 0.00 176.91 179.24 2ksy h THR 146 N 0.81 1.28 0.00 2.22 2.02 -1.25 -2.64 112.91 115.36 2ksy h THR 146 Ca 0.42 -1.32 -0.10 0.00 0.77 0.00 0.00 66.41 66.17 2ksy h THR 146 Cb 0.51 1.27 -0.01 0.00 -1.74 0.00 0.00 68.15 68.18 2ksy h THR 146 CO -0.19 0.44 -0.50 -0.33 0.37 0.00 0.00 175.52 175.32 2ksy h GLU 147 N 0.66 0.00 -0.21 6.66 5.08 -1.34 -2.65 114.58 122.78 2ksy h GLU 147 Ca 0.09 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.34 2ksy h GLU 147 Cb 0.74 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.99 2ksy h GLU 147 CO 0.06 0.50 -0.30 0.77 -1.00 0.00 0.00 179.01 179.03 2ksy h SER 148 N 0.00 0.63 0.62 1.42 0.02 -0.63 -3.20 113.55 112.41 2ksy h SER 148 Ca -0.00 -0.51 -0.19 0.00 -0.84 0.00 0.00 61.79 60.24 2ksy h SER 148 Cb 1.17 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.52 2ksy h SER 148 CO 0.06 1.02 -0.86 0.00 -1.14 0.00 0.00 176.83 175.92 2ksy h ALA 149 N 0.63 0.55 0.00 3.77 0.00 -1.52 -3.02 119.26 119.67 2ksy h ALA 149 Ca 0.02 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.21 2ksy h ALA 149 Cb 0.88 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2ksy h ALA 149 CO 0.07 0.93 0.00 -1.13 0.00 0.00 0.00 179.25 179.12 2ksy n SER 150 N -3.65 0.00 -0.06 0.00 3.41 -1.00 -1.72 113.62 110.60 2ksy n SER 150 Ca -0.03 -0.35 0.01 0.00 -0.26 0.00 0.00 58.87 58.24 2ksy n SER 150 Cb 0.80 -0.06 0.01 0.00 -0.26 0.00 0.00 64.21 64.69 2ksy n SER 150 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ksy n GLN 151 N -1.06 -0.68 -0.07 4.33 6.02 -1.14 -4.72 117.38 120.04 2ksy n GLN 151 Ca 0.10 -0.62 -0.12 0.00 -0.01 0.00 0.00 57.00 56.35 2ksy n GLN 151 Cb 0.07 -1.03 -0.09 0.00 1.02 0.00 0.00 30.24 30.20 2ksy n GLN 151 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2ksy h ARG 152 N 0.31 0.00 -3.12 -1.09 2.47 -1.33 -3.50 114.38 108.12 2ksy h ARG 152 Ca 0.00 0.00 0.03 0.00 -1.26 0.00 0.00 59.98 58.75 2ksy h ARG 152 Cb 0.08 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 28.32 2ksy h ARG 152 CO 0.00 0.74 0.15 0.45 0.56 0.00 0.00 179.97 181.87 2ksy s SER 153 N -6.16 -0.29 0.23 7.04 0.15 -1.25 -5.01 113.70 108.41 2ksy s SER 153 Ca -0.17 -0.53 0.00 0.00 0.70 0.00 0.00 55.95 55.95 2ksy s SER 153 Cb -0.01 0.67 0.23 0.00 -1.71 0.00 0.00 66.02 65.21 2ksy s SER 153 CO 0.51 -1.22 1.58 -1.28 1.20 0.00 0.00 173.24 174.02 2ksy h SER 154 N 2.06 0.49 0.23 5.45 0.87 -1.92 -3.15 113.55 117.58 2ksy h SER 154 Ca -0.24 -0.24 -0.26 0.00 -1.23 0.00 0.00 61.79 59.82 2ksy h SER 154 Cb 1.26 -0.14 0.02 0.00 -0.44 0.00 0.00 62.40 63.10 2ksy h SER 154 CO 0.29 0.89 -1.09 1.23 -0.53 0.00 0.00 176.83 177.62 2ksy h GLY 155 N 1.16 0.60 0.43 5.77 0.00 -1.96 -3.27 103.07 105.80 2ksy h GLY 155 Ca 0.02 -1.14 0.15 0.00 0.00 0.00 0.00 47.33 46.36 2ksy h GLY 155 CO 0.09 1.01 0.59 -2.22 0.00 0.00 0.00 176.54 176.01 2ksy h ILE 156 N 0.27 0.81 -0.15 2.60 1.08 -1.86 0.67 117.51 120.93 2ksy h ILE 156 Ca -0.13 -0.25 -0.06 0.00 -0.39 0.00 0.00 64.86 64.03 2ksy h ILE 156 Cb 1.75 0.03 -0.01 0.00 -3.07 0.00 0.00 36.82 35.52 2ksy h ILE 156 CO 0.20 0.13 -0.19 0.50 -0.69 0.00 0.00 178.15 178.10 2ksy h LYS 157 N 0.72 0.26 -0.04 2.37 3.64 -1.59 0.44 116.57 122.36 2ksy h LYS 157 Ca 0.48 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.74 2ksy h LYS 157 Cb 0.76 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 2ksy h LYS 157 CO -0.24 0.45 -0.14 1.03 -2.27 0.00 0.00 179.45 178.28 2ksy h SER 158 N 0.24 0.20 -0.44 4.20 0.87 -0.98 -2.65 113.55 114.99 2ksy h SER 158 Ca 0.04 -0.62 -0.14 0.00 -1.23 0.00 0.00 61.79 59.84 2ksy h SER 158 Cb 0.49 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.38 2ksy h SER 158 CO 0.03 0.79 -0.27 -0.07 -0.53 0.00 0.00 176.83 176.78 2ksy h LEU 159 N -0.37 1.00 -0.25 2.23 3.38 -1.31 -2.89 115.31 117.11 2ksy h LEU 159 Ca -0.01 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 2ksy h LEU 159 Cb 0.77 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2ksy h LEU 159 CO 0.03 1.20 0.12 0.22 0.09 0.00 0.00 178.44 180.10 2ksy h TYR 160 N 0.82 0.35 -0.37 1.13 5.03 -0.98 0.26 116.97 123.22 2ksy h TYR 160 Ca 0.10 -0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.38 2ksy h TYR 160 Cb 0.85 -0.11 -0.02 0.00 1.55 0.00 0.00 36.73 39.00 2ksy h TYR 160 CO 0.05 0.33 0.21 -0.39 -1.32 0.00 0.00 178.16 177.04 2ksy h VAL 161 N 0.27 1.14 -0.38 1.81 -1.51 -1.48 -0.02 116.25 116.08 2ksy h VAL 161 Ca 0.09 -0.36 -0.14 0.00 -1.23 0.00 0.00 66.70 65.06 2ksy h VAL 161 Cb 0.11 0.71 -0.01 0.00 -2.13 0.00 0.00 31.29 29.97 2ksy h VAL 161 CO -0.01 0.14 -0.31 -0.09 -1.23 0.00 0.00 177.57 176.07 2ksy h ARG 162 N 0.47 0.84 0.43 5.19 9.65 -1.40 -2.00 114.38 127.56 2ksy h ARG 162 Ca 0.13 -0.39 -0.02 0.00 -1.10 0.00 0.00 59.98 58.60 2ksy h ARG 162 Cb 0.05 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.62 2ksy h ARG 162 CO -0.02 1.03 -0.21 -0.07 2.80 0.00 0.00 179.97 183.50 2ksy h LEU 163 N 0.70 -0.49 -0.59 3.80 4.07 -0.25 -2.71 115.31 119.84 2ksy h LEU 163 Ca 0.08 -0.09 -0.06 0.00 0.08 0.00 0.00 57.88 57.89 2ksy h LEU 163 Cb 0.86 0.13 -0.02 0.00 1.08 0.00 0.00 40.66 42.70 2ksy h LEU 163 CO 0.08 -0.18 0.14 0.08 -1.08 0.00 0.00 178.44 177.48 2ksy h ARG 164 N -0.81 0.95 -0.40 1.13 0.11 -1.07 -2.06 114.38 112.23 2ksy h ARG 164 Ca -0.06 -0.23 0.07 0.00 0.10 0.00 0.00 59.98 59.86 2ksy h ARG 164 Cb 0.55 -0.12 -0.06 0.00 1.11 0.00 0.00 29.97 31.44 2ksy h ARG 164 CO 0.10 0.88 0.04 -0.91 0.10 0.00 0.00 179.97 180.18 2ksy h ASN 165 N 0.86 -0.07 0.34 0.08 -0.26 -1.40 0.11 115.58 115.25 2ksy h ASN 165 Ca 0.19 0.08 -0.02 0.00 -0.56 0.00 0.00 56.30 55.99 2ksy h ASN 165 Cb 0.35 0.12 0.00 0.00 -1.06 0.00 0.00 38.32 37.74 2ksy h ASN 165 CO 0.00 0.00 -0.17 0.25 -1.06 0.00 0.00 177.43 176.46 2ksy h LEU 166 N 0.16 -0.39 0.24 1.61 6.46 -1.35 -2.68 115.31 119.36 2ksy h LEU 166 Ca 0.19 -0.10 0.00 0.00 -0.12 0.00 0.00 57.88 57.85 2ksy h LEU 166 Cb 0.25 0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.27 2ksy h LEU 166 CO -0.29 -0.12 -0.24 0.74 -0.62 0.00 0.00 178.44 177.92 2ksy h THR 167 N -0.67 0.49 -0.88 1.05 2.02 -1.14 -2.70 112.91 111.08 2ksy h THR 167 Ca -0.05 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.22 2ksy h THR 167 Cb 0.47 0.49 -0.07 0.00 -1.74 0.00 0.00 68.15 67.30 2ksy h THR 167 CO 0.08 0.00 0.53 1.62 0.37 0.00 0.00 175.52 178.12 2ksy h VAL 168 N -0.51 0.95 0.54 3.16 3.04 -0.86 0.25 116.25 122.82 2ksy h VAL 168 Ca -0.00 -0.31 -0.03 0.00 -1.01 0.00 0.00 66.70 65.35 2ksy h VAL 168 Cb 0.47 -0.03 0.00 0.00 -2.01 0.00 0.00 31.29 29.73 2ksy h VAL 168 CO -0.05 0.16 -0.26 0.58 -1.01 0.00 0.00 177.57 176.99 2ksy h VAL 169 N 0.90 0.00 0.00 1.51 2.07 -1.27 0.15 116.25 119.61 2ksy h VAL 169 Ca 0.42 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.92 2ksy h VAL 169 Cb 0.34 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.11 2ksy h VAL 169 CO -0.23 0.00 -0.07 0.17 0.02 0.00 0.00 177.57 177.45 2ksy h LEU 170 N -0.73 0.00 -0.56 2.57 8.10 -1.40 -1.14 115.31 122.16 2ksy h LEU 170 Ca -0.07 0.00 -0.15 0.00 0.11 0.00 0.00 57.88 57.76 2ksy h LEU 170 Cb 0.56 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.77 2ksy h LEU 170 CO 0.12 0.07 -0.51 -0.50 -4.11 0.00 0.00 178.44 173.51 2ksy h TRP 171 N 0.00 0.69 0.00 0.17 4.06 -0.33 -2.44 115.95 118.09 2ksy h TRP 171 Ca -0.00 -0.23 0.00 0.00 2.06 0.00 0.00 58.89 60.72 2ksy h TRP 171 Cb 0.16 -0.13 0.00 0.00 -1.00 0.00 0.00 29.16 28.19 2ksy h TRP 171 CO 0.00 0.95 0.00 0.00 -3.56 0.00 0.00 178.44 175.83 2ksy n ALA 172 N -2.51 1.89 0.11 1.49 0.00 0.52 -2.17 120.51 119.83 2ksy n ALA 172 Ca -0.03 -0.07 0.05 0.00 0.00 0.00 0.00 53.44 53.39 2ksy n ALA 172 Cb 0.58 -1.28 0.01 0.00 0.00 0.00 0.00 19.45 18.76 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 0.41 -0.34 0.00 1.08 -1.25 -3.36 117.51 114.04 2ksy h ILE 173 Ca 0.00 -1.67 0.06 0.00 -0.39 0.00 0.00 64.86 62.87 2ksy h ILE 173 Cb 0.19 2.01 -0.06 0.00 -3.07 0.00 0.00 36.82 35.89 2ksy h ILE 173 CO 0.00 0.23 -0.05 1.88 -0.69 0.00 0.00 178.15 179.52 2ksy h TYR 174 N 0.00 -0.11 -1.21 1.37 0.05 -1.50 -0.95 116.97 114.62 2ksy h TYR 174 Ca -0.05 0.03 0.35 0.00 0.05 0.00 0.00 58.73 59.10 2ksy h TYR 174 Cb 1.30 0.10 -0.06 0.00 1.01 0.00 0.00 36.73 39.07 2ksy h TYR 174 CO 0.00 -0.11 0.85 -1.35 -1.05 0.00 0.00 178.16 176.50 2ksy h PRO 175 N 0.04 0.08 0.00 4.88 0.11 -1.77 0.46 132.00 135.80 2ksy h PRO 175 Ca 0.16 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.26 2ksy h PRO 175 Cb 0.24 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.33 2ksy h PRO 175 CO -0.31 0.05 -0.05 0.74 -0.21 0.00 0.00 178.00 178.22 2ksy h PHE 176 N 0.08 0.00 -0.50 0.65 0.04 -1.43 -2.90 116.94 112.88 2ksy h PHE 176 Ca 0.61 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 61.35 2ksy h PHE 176 Cb 2.23 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 40.35 2ksy h PHE 176 CO -0.00 1.02 0.18 0.82 -0.60 0.00 0.00 178.31 179.72 2ksy h ILE 177 N -1.00 1.19 -0.10 -0.55 1.08 -0.60 0.30 117.51 117.84 2ksy h ILE 177 Ca -0.01 -0.62 -0.16 0.00 -0.39 0.00 0.00 64.86 63.68 2ksy h ILE 177 Cb 1.01 0.62 0.01 0.00 -3.07 0.00 0.00 36.82 35.39 2ksy h ILE 177 CO -0.01 0.24 -0.56 -0.25 -0.69 0.00 0.00 178.15 176.88 2ksy h TRP 178 N 0.71 0.75 0.07 1.37 7.01 -1.11 0.21 115.95 124.97 2ksy h TRP 178 Ca 0.17 -0.34 -0.00 0.00 2.11 0.00 0.00 58.89 60.83 2ksy h TRP 178 Cb 0.17 -0.11 0.00 0.00 -2.10 0.00 0.00 29.16 27.12 2ksy h TRP 178 CO 0.01 1.13 -0.03 1.25 -2.79 0.00 0.00 178.44 178.00 2ksy h LEU 179 N 0.16 -0.08 -0.01 0.65 7.12 -1.28 0.22 115.31 122.08 2ksy h LEU 179 Ca -0.04 -0.38 -0.07 0.00 0.13 0.00 0.00 57.88 57.52 2ksy h LEU 179 Cb 1.21 0.02 0.01 0.00 -0.53 0.00 0.00 40.66 41.37 2ksy h LEU 179 CO 0.12 0.35 -0.27 -0.07 -0.13 0.00 0.00 178.44 178.44 2ksy h LEU 180 N -0.53 0.26 -9.69 2.25 3.38 -0.53 0.92 115.31 111.37 2ksy h LEU 180 Ca -0.01 -0.75 -0.33 0.00 0.09 0.00 0.00 57.88 56.89 2ksy h LEU 180 Cb 0.46 -0.08 0.19 0.00 0.09 0.00 0.00 40.66 41.32 2ksy h LEU 180 CO 0.02 0.97 -0.18 0.61 0.09 0.00 0.00 178.44 179.94 2ksy n GLY 181 N 0.97 -3.41 0.29 0.83 0.00 0.74 -0.08 105.19 104.52 2ksy n GLY 181 Ca -0.10 -1.43 0.08 0.00 0.00 0.00 0.00 46.02 44.58 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 -3.34 0.24 0.00 1.61 0.11 -1.84 0.50 132.00 129.29 2ksy h PRO 182 Ca -0.37 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2ksy h PRO 182 Cb 1.17 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2ksy h PRO 182 CO 0.23 0.16 0.35 -1.35 -0.21 0.00 0.00 178.00 177.18 2ksy h PRO 183 N 0.25 0.00 0.00 1.05 0.11 -1.87 -3.37 132.00 128.17 2ksy h PRO 183 Ca 0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.58 2ksy h PRO 183 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 2ksy h PRO 183 CO -0.57 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 177.63 2ksy n GLY 184 N -1.26 0.49 0.04 -0.55 0.00 0.07 -4.38 105.19 99.59 2ksy n GLY 184 Ca -0.01 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 0.00 -2.87 1.61 0.24 0.32 -5.00 118.33 112.63 2ksy n VAL 185 Ca 0.00 -0.43 -0.06 0.00 -2.04 0.00 0.00 64.34 61.81 2ksy n VAL 185 Cb 0.00 1.02 0.01 0.00 -1.47 0.00 0.00 33.84 33.40 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 -0.78 -3.10 -0.11 2.33 0.00 0.88 -4.91 120.51 114.82 2ksy n ALA 186 Ca 0.01 0.69 -0.23 0.00 0.00 0.00 0.00 53.44 53.91 2ksy n ALA 186 Cb 0.07 -2.05 -0.11 0.00 0.00 0.00 0.00 19.45 17.35 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 0.34 1.92 0.00 0.00 4.77 0.86 -4.89 117.00 120.00 2ksy n LEU 187 Ca 0.04 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 2ksy n LEU 187 Cb 0.26 -0.95 0.00 0.00 -2.33 0.00 0.00 43.42 40.41 2ksy n LEU 187 CO 0.43 0.37 0.00 0.18 -1.33 0.00 0.00 177.39 177.03 2ksy n LEU 188 N -4.34 0.00 -4.79 2.23 4.77 -1.26 -5.07 117.00 108.53 2ksy n LEU 188 Ca -0.37 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.24 2ksy n LEU 188 Cb 0.74 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.77 2ksy n LEU 188 CO 0.17 0.00 -0.01 -0.89 -1.33 0.00 0.00 177.39 175.33 2ksy s THR 189 N 1.31 5.26 0.52 -5.08 2.01 -1.26 -4.93 115.64 113.47 2ksy s THR 189 Ca 0.00 0.58 0.39 0.00 0.31 0.00 0.00 61.69 62.96 2ksy s THR 189 Cb 0.00 -3.61 0.59 0.00 0.01 0.00 0.00 72.50 69.49 2ksy s THR 189 CO 0.00 0.49 1.71 -0.65 -0.69 0.00 0.00 174.62 175.48 2ksy h PRO 190 N 5.78 0.04 0.02 4.92 0.11 -1.98 0.31 132.00 141.20 2ksy h PRO 190 Ca -0.47 -0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.42 2ksy h PRO 190 Cb 1.19 -0.01 0.02 0.00 0.11 0.00 0.00 31.00 32.31 2ksy h PRO 190 CO 0.68 0.03 -0.87 1.79 -0.21 0.00 0.00 178.00 179.42 2ksy h THR 191 N 0.04 1.35 -0.04 -1.15 1.35 -1.99 -3.06 112.91 109.42 2ksy h THR 191 Ca 0.72 -2.22 -0.02 0.00 -0.55 0.00 0.00 66.41 64.34 2ksy h THR 191 Cb 2.71 2.56 -0.00 0.00 -1.73 0.00 0.00 68.15 71.69 2ksy h THR 191 CO -0.08 0.67 -0.04 0.58 -0.25 0.00 0.00 175.52 176.39 2ksy h VAL 192 N 0.13 1.39 -0.57 6.82 2.07 -0.88 -2.27 116.25 122.93 2ksy h VAL 192 Ca -0.12 -1.23 0.09 0.00 0.82 0.00 0.00 66.70 66.27 2ksy h VAL 192 Cb 1.56 2.13 -0.07 0.00 -1.52 0.00 0.00 31.29 33.39 2ksy h VAL 192 CO 0.17 0.33 0.18 0.44 0.02 0.00 0.00 177.57 178.72 2ksy h ASP 193 N -0.37 0.15 -0.30 0.57 3.32 -1.13 -0.85 116.42 117.81 2ksy h ASP 193 Ca 0.01 0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.06 2ksy h ASP 193 Cb 0.56 0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.17 2ksy h ASP 193 CO 0.01 0.10 -0.05 0.58 -1.72 0.00 0.00 179.24 178.16 2ksy h VAL 194 N 0.35 1.24 -0.67 -1.35 2.07 -1.57 -2.60 116.25 113.72 2ksy h VAL 194 Ca 0.29 -1.01 0.08 0.00 0.82 0.00 0.00 66.70 66.88 2ksy h VAL 194 Cb 0.36 0.98 -0.07 0.00 -1.52 0.00 0.00 31.29 31.05 2ksy h VAL 194 CO -0.31 0.35 0.33 0.00 0.02 0.00 0.00 177.57 177.95 2ksy h ALA 195 N 1.32 0.91 -0.45 1.67 0.00 -0.55 0.13 119.26 122.29 2ksy h ALA 195 Ca 0.12 0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.96 2ksy h ALA 195 Cb 0.47 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2ksy h ALA 195 CO 0.02 -0.06 -0.22 -0.07 0.00 0.00 0.00 179.25 178.92 2ksy h LEU 196 N 0.57 0.94 0.53 0.00 3.38 -1.24 -1.81 115.31 117.68 2ksy h LEU 196 Ca 0.33 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 2ksy h LEU 196 Cb 0.33 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2ksy h LEU 196 CO -0.25 1.12 -0.32 0.40 0.09 0.00 0.00 178.44 179.47 2ksy h ILE 197 N 0.79 0.34 -0.80 1.22 1.08 -0.88 0.19 117.51 119.45 2ksy h ILE 197 Ca 0.10 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.74 2ksy h ILE 197 Cb 0.78 0.34 -0.06 0.00 -3.07 0.00 0.00 36.82 34.81 2ksy h ILE 197 CO 0.06 0.00 0.54 0.58 -0.69 0.00 0.00 178.15 178.64 2ksy h VAL 198 N -0.80 0.76 -0.05 1.67 2.07 -0.78 0.29 116.25 119.40 2ksy h VAL 198 Ca -0.06 -0.14 -0.11 0.00 0.82 0.00 0.00 66.70 67.20 2ksy h VAL 198 Cb 0.65 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 2ksy h VAL 198 CO 0.07 0.08 -0.48 0.22 0.02 0.00 0.00 177.57 177.47 2ksy h TYR 199 N 0.42 0.16 -0.23 1.57 3.20 -0.38 -1.95 116.97 119.75 2ksy h TYR 199 Ca 0.40 -0.05 -0.06 0.00 3.14 0.00 0.00 58.73 62.17 2ksy h TYR 199 Cb 0.95 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.18 2ksy h TYR 199 CO -0.00 0.59 -0.07 -0.07 -1.64 0.00 0.00 178.16 176.97 2ksy h LEU 200 N 0.11 0.47 -0.79 2.82 3.38 0.26 -1.69 115.31 119.87 2ksy h LEU 200 Ca 0.00 -0.38 -0.13 0.00 0.09 0.00 0.00 57.88 57.46 2ksy h LEU 200 Cb 0.90 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 2ksy h LEU 200 CO 0.07 0.74 -0.51 0.44 0.09 0.00 0.00 178.44 179.27 2ksy h ASP 201 N 0.19 0.26 -0.46 -0.43 3.32 -1.38 -2.75 116.42 115.16 2ksy h ASP 201 Ca 0.06 -0.13 -0.09 0.00 0.02 0.00 0.00 57.03 56.89 2ksy h ASP 201 Cb 0.55 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 2ksy h ASP 201 CO 0.03 0.73 -0.05 -0.07 -1.72 0.00 0.00 179.24 178.15 2ksy h LEU 202 N 0.19 0.85 -0.45 1.55 3.38 -1.26 -3.19 115.31 116.38 2ksy h LEU 202 Ca 0.01 -0.33 -0.17 0.00 0.09 0.00 0.00 57.88 57.47 2ksy h LEU 202 Cb 0.97 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 2ksy h LEU 202 CO 0.08 0.98 -0.57 1.62 0.09 0.00 0.00 178.44 180.64 2ksy h VAL 203 N 0.70 1.31 0.00 1.22 3.04 -1.26 0.15 116.25 121.41 2ksy h VAL 203 Ca 0.12 -1.81 0.00 0.00 -1.01 0.00 0.00 66.70 64.00 2ksy h VAL 203 Cb 0.58 1.77 0.00 0.00 -2.01 0.00 0.00 31.29 31.63 2ksy h VAL 203 CO 0.03 0.57 0.00 0.41 -1.01 0.00 0.00 177.57 177.57 2ksy n THR 204 N -3.96 0.00 0.00 3.17 -1.04 -1.04 -0.28 114.28 111.13 2ksy n THR 204 Ca -0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 2ksy n THR 204 Cb 0.62 -0.69 0.00 0.00 -1.82 0.00 0.00 70.33 68.44 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 -0.82 0.00 0.07 12.58 0.31 0.04 -2.26 118.33 128.24 2ksy n VAL 206 Ca 0.04 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.25 2ksy n VAL 206 Cb 0.02 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.87 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 -0.24 0.74 2.92 0.00 -0.64 -0.33 103.07 105.51 2ksy h GLY 207 Ca 0.00 0.09 0.06 0.00 0.00 0.00 0.00 47.33 47.48 2ksy h GLY 207 CO 0.00 -0.09 0.49 -2.75 0.00 0.00 0.00 176.54 174.19 2ksy h PHE 208 N -0.77 0.90 -0.32 5.60 3.04 -1.34 0.12 116.94 124.17 2ksy h PHE 208 Ca -0.02 0.03 -0.15 0.00 3.98 0.00 0.00 57.97 61.80 2ksy h PHE 208 Cb 0.52 -0.29 -0.01 0.00 2.56 0.00 0.00 35.95 38.73 2ksy h PHE 208 CO 0.07 0.46 -0.42 0.78 -2.02 0.00 0.00 178.31 177.19 2ksy h GLY 209 N 0.90 0.87 1.24 2.40 0.00 -1.76 1.01 103.07 107.73 2ksy h GLY 209 Ca 0.35 -0.91 -0.15 0.00 0.00 0.00 0.00 47.33 46.62 2ksy h GLY 209 CO -0.16 0.82 -0.36 0.74 0.00 0.00 0.00 176.54 177.57 2ksy h PHE 210 N 0.65 0.99 0.00 5.60 0.04 -0.64 0.31 116.94 123.89 2ksy h PHE 210 Ca 0.05 -0.29 -0.10 0.00 2.80 0.00 0.00 57.97 60.43 2ksy h PHE 210 Cb 0.98 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.91 2ksy h PHE 210 CO 0.05 1.07 -0.46 0.82 -0.60 0.00 0.00 178.31 179.19 2ksy h ILE 211 N 0.69 1.20 -0.39 -0.55 2.04 -0.66 -2.33 117.51 117.51 2ksy h ILE 211 Ca 0.06 -1.66 -0.12 0.00 1.00 0.00 0.00 64.86 64.14 2ksy h ILE 211 Cb 0.93 1.93 -0.01 0.00 -0.74 0.00 0.00 36.82 38.92 2ksy h ILE 211 CO 0.09 0.45 -0.25 0.00 0.00 0.00 0.00 178.15 178.44 2ksy h ALA 212 N 1.54 0.82 0.17 1.87 0.00 0.23 -2.53 119.26 121.35 2ksy h ALA 212 Ca -0.00 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 2ksy h ALA 212 Cb 0.89 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2ksy h ALA 212 CO 0.06 0.64 -0.08 -0.07 0.00 0.00 0.00 179.25 179.80 2ksy h LEU 213 N 0.69 -0.20 -1.37 0.00 3.38 -0.16 -2.43 115.31 115.22 2ksy h LEU 213 Ca 0.09 -0.32 0.14 0.00 0.09 0.00 0.00 57.88 57.88 2ksy h LEU 213 Cb 0.78 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.51 2ksy h LEU 213 CO 0.06 0.28 0.55 -0.78 0.09 0.00 0.00 178.44 178.65 2ksy h ASP 214 N -0.74 0.58 0.47 -0.43 3.58 -1.47 0.11 116.42 118.52 2ksy h ASP 214 Ca -0.02 0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.44 2ksy h ASP 214 Cb 0.51 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.49 2ksy h ASP 214 CO 0.04 0.29 -0.23 0.00 -2.88 0.00 0.00 179.24 176.47 2ksy h ALA 215 N 1.61 -0.63 -0.73 -0.78 0.00 -1.45 -2.33 119.26 114.95 2ksy h ALA 215 Ca 0.42 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 55.18 2ksy h ALA 215 Cb 0.76 0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 2ksy h ALA 215 CO -0.18 -0.67 0.46 0.00 0.00 0.00 0.00 179.25 178.85 2ksy h ALA 216 N -0.72 0.95 -0.76 0.00 0.00 -1.04 -1.64 119.26 116.05 2ksy h ALA 216 Ca -0.06 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.88 2ksy h ALA 216 Cb 0.58 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 2ksy h ALA 216 CO 0.11 0.24 0.50 0.00 0.00 0.00 0.00 179.25 180.09 2ksy h ALA 217 N 1.31 1.65 -0.58 0.00 0.00 -0.83 -1.33 119.26 119.47 2ksy h ALA 217 Ca 0.29 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.09 2ksy h ALA 217 Cb 0.02 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2ksy h ALA 217 CO -0.11 0.24 0.02 1.15 0.00 0.00 0.00 179.25 180.55 2ksy h THR 218 N 0.83 1.26 -0.36 0.00 2.02 -0.73 0.20 112.91 116.13 2ksy h THR 218 Ca 0.32 -1.11 -0.07 0.00 0.77 0.00 0.00 66.41 66.33 2ksy h THR 218 Cb 0.21 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 2ksy h THR 218 CO -0.11 0.40 -0.05 -0.07 0.37 0.00 0.00 175.52 176.06 2ksy h LEU 219 N 0.91 0.56 0.00 2.58 3.38 -0.81 -0.55 115.31 121.38 2ksy h LEU 219 Ca 0.17 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2ksy h LEU 219 Cb 0.53 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2ksy h LEU 219 CO 0.03 0.67 -0.32 -0.09 0.09 0.00 0.00 178.44 178.81 2ksy h ARG 220 N 0.55 0.00 0.16 1.13 2.43 -1.04 -0.95 114.38 116.66 2ksy h ARG 220 Ca 0.11 0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 58.97 2ksy h ARG 220 Cb 0.43 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.99 2ksy h ARG 220 CO 0.02 0.00 -1.47 0.00 -1.51 0.00 0.00 179.97 177.01 2ksy h ALA 221 N 2.10 0.12 0.10 2.80 0.00 0.02 -3.37 119.26 121.01 2ksy h ALA 221 Ca 0.00 -1.00 -0.36 0.00 0.00 0.00 0.00 54.91 53.55 2ksy h ALA 221 Cb 0.95 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 2ksy h ALA 221 CO 0.00 0.98 -2.06 -0.85 0.00 0.00 0.00 179.25 177.33 2ksy n GLU 222 N -3.55 0.73 -1.32 0.00 0.28 -0.27 -5.07 120.64 111.44 2ksy n GLU 222 Ca -0.15 0.24 0.17 0.00 -0.16 0.00 0.00 57.16 57.26 2ksy n GLU 222 Cb 1.06 -1.68 -0.07 0.00 1.43 0.00 0.00 31.44 32.18 2ksy n GLU 222 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 2ksy n HIS 223 N -3.40 -3.46 1.18 -1.84 8.25 -0.36 -4.56 115.22 111.03 2ksy n HIS 223 Ca -0.33 1.83 0.12 0.00 -0.26 0.00 0.00 57.72 59.08 2ksy n HIS 223 Cb 1.04 -3.14 0.26 0.00 1.12 0.00 0.00 29.99 29.27 2ksy n HIS 223 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2ksy n GLY 224 N -4.16 -0.36 3.87 -1.41 0.00 -1.26 -4.91 105.19 96.97 2ksy n GLY 224 Ca -0.04 -0.48 -0.34 0.00 0.00 0.00 0.00 46.02 45.15 2ksy n GLY 224 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ksy s GLU 225 N -2.47 3.71 0.08 1.61 2.12 -1.26 -5.09 118.70 117.40 2ksy s GLU 225 Ca 0.23 0.10 -0.26 0.00 0.36 0.00 0.00 54.97 55.40 2ksy s GLU 225 Cb 0.19 -2.97 0.08 0.00 0.26 0.00 0.00 34.13 31.70 2ksy s GLU 225 CO 0.53 0.54 0.84 -1.54 -0.54 0.00 0.00 175.26 175.10 2ksy s SER 226 N -1.90 -0.35 -0.44 -1.70 1.04 -1.26 -5.09 113.70 104.00 2ksy s SER 226 Ca 0.34 -0.13 -0.29 0.00 0.48 0.00 0.00 55.95 56.36 2ksy s SER 226 Cb -0.13 0.46 0.01 0.00 0.10 0.00 0.00 66.02 66.46 2ksy s SER 226 CO 0.19 -0.79 1.41 -0.22 0.98 0.00 0.00 173.24 174.81 2ksy s LEU 227 N -2.66 3.56 -0.10 2.42 2.96 -1.26 -4.97 118.68 118.62 2ksy s LEU 227 Ca 0.06 0.73 -0.14 0.00 -0.22 0.00 0.00 54.13 54.57 2ksy s LEU 227 Cb -0.01 -3.47 0.03 0.00 0.50 0.00 0.00 46.19 43.24 2ksy s LEU 227 CO -0.06 -1.48 0.36 0.00 -1.32 0.00 0.00 176.35 173.85 2ksy s ALA 228 N 5.53 -0.89 0.00 5.97 0.00 -1.26 -5.16 121.76 125.96 2ksy s ALA 228 Ca 0.60 0.84 0.00 0.00 0.00 0.00 0.00 51.96 53.39 2ksy s ALA 228 Cb -0.13 -0.40 0.00 0.00 0.00 0.00 0.00 23.12 22.59 2ksy s ALA 228 CO 0.32 -0.20 0.00 0.41 0.00 0.00 0.00 175.76 176.28 2ksy n GLY 229 N 2.39 3.33 3.48 0.00 0.00 -1.26 -5.13 105.19 108.00 2ksy n GLY 229 Ca -0.16 -0.31 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 2ksy n GLY 229 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ksy s VAL 230 N 3.96 3.78 -0.51 1.61 1.01 -1.26 -5.08 120.40 123.91 2ksy s VAL 230 Ca 0.00 -0.40 -0.16 0.00 0.00 0.00 0.00 61.98 61.42 2ksy s VAL 230 Cb 0.00 -2.65 0.09 0.00 0.00 0.00 0.00 36.38 33.82 2ksy s VAL 230 CO 0.00 0.50 0.49 -1.81 0.00 0.00 0.00 175.10 174.27 2ksy s ASP 231 N 0.35 6.17 -0.04 3.32 1.01 -1.26 -5.03 116.67 121.20 2ksy s ASP 231 Ca -0.05 -1.41 -0.03 0.00 0.71 0.00 0.00 52.55 51.77 2ksy s ASP 231 Cb -0.14 -2.22 0.02 0.00 1.01 0.00 0.00 42.92 41.59 2ksy s ASP 231 CO 0.03 -0.79 0.10 0.28 0.21 0.00 0.00 175.17 175.01 2ksy s THR 232 N 1.86 -0.02 -0.20 -1.27 -1.32 -1.26 -5.02 115.64 108.41 2ksy s THR 232 Ca 0.06 0.06 -0.11 0.00 -1.21 0.00 0.00 61.69 60.49 2ksy s THR 232 Cb -0.25 -0.16 0.04 0.00 -1.51 0.00 0.00 72.50 70.62 2ksy s THR 232 CO 0.06 0.03 0.22 -0.67 -2.21 0.00 0.00 174.62 172.04 2ksy n ASP 233 N 3.42 -1.50 -3.53 8.08 -0.08 -1.26 -5.04 116.55 116.64 2ksy n ASP 233 Ca -0.17 1.37 -0.29 0.00 -1.51 0.00 0.00 54.79 54.18 2ksy n ASP 233 Cb 0.57 -5.26 -0.14 0.00 2.34 0.00 0.00 41.12 38.63 2ksy n ASP 233 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 2ksy s THR 234 N -0.81 0.12 0.07 5.18 2.01 -1.26 -5.12 115.64 115.83 2ksy s THR 234 Ca -0.25 -1.21 -0.30 0.00 0.31 0.00 0.00 61.69 60.23 2ksy s THR 234 Cb 0.02 -1.11 -0.09 0.00 0.01 0.00 0.00 72.50 71.32 2ksy s THR 234 CO 0.79 -0.83 1.87 -2.84 -0.69 0.00 0.00 174.62 172.92 2ksy s PRO 235 N 1.63 4.15 -0.30 4.92 0.02 -1.26 -4.96 135.00 139.20 2ksy s PRO 235 Ca 0.13 2.56 -0.03 0.00 0.02 0.00 0.00 61.00 63.67 2ksy s PRO 235 Cb -0.19 -3.88 0.19 0.00 0.02 0.00 0.00 34.50 30.64 2ksy s PRO 235 CO -0.21 -0.89 0.72 0.00 -0.33 0.00 0.00 177.00 176.29 2ksy s ALA 236 N 3.60 -2.62 -0.21 -1.55 0.00 -1.26 -5.16 121.76 114.55 2ksy s ALA 236 Ca 0.83 1.64 -0.27 0.00 0.00 0.00 0.00 51.96 54.17 2ksy s ALA 236 Cb -0.43 -2.32 0.07 0.00 0.00 0.00 0.00 23.12 20.44 2ksy s ALA 236 CO 0.38 -1.45 0.71 0.54 0.00 0.00 0.00 175.76 175.94 2ksy s VAL 237 N 2.88 0.00 -0.14 0.00 0.11 -1.26 -5.17 120.40 116.82 2ksy s VAL 237 Ca 0.15 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 59.09 2ksy s VAL 237 Cb -0.13 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 33.76 2ksy s VAL 237 CO -0.19 0.00 0.36 0.00 -3.33 0.00 0.00 175.10 171.94 2ksy s ALA 238 N -0.04 -0.89 -0.12 1.54 0.00 -1.26 -5.06 121.76 115.94 2ksy s ALA 238 Ca -0.03 1.13 -0.09 0.00 0.00 0.00 0.00 51.96 52.98 2ksy s ALA 238 Cb -0.04 -0.67 0.03 0.00 0.00 0.00 0.00 23.12 22.45 2ksy s ALA 238 CO 0.03 -0.19 0.17 -0.25 0.00 0.00 0.00 175.76 175.52 2ksy n ASP 239 N 3.33 -3.33 0.00 0.00 8.00 -1.26 -5.02 116.55 118.26 2ksy n ASP 239 Ca -0.17 1.53 0.00 0.00 0.71 0.00 0.00 54.79 56.86 2ksy n ASP 239 Cb 0.57 -5.28 0.00 0.00 -0.02 0.00 0.00 41.12 36.38 2ksy n ASP 239 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2ksy n LEU 240 N 1.76 0.00 -3.91 0.64 7.94 -1.26 -5.10 117.00 117.07 2ksy n LEU 240 Ca -0.29 0.00 -0.16 0.00 -1.11 0.00 0.00 56.01 54.45 2ksy n LEU 240 Cb 0.45 0.00 -0.15 0.00 0.53 0.00 0.00 43.42 44.25 2ksy n LEU 240 CO 0.27 0.00 -0.39 -1.61 -1.11 0.00 0.00 177.39 174.55 2ksy s GLU 241 N -0.76 0.42 0.02 1.96 2.02 -1.26 -5.04 118.70 116.06 2ksy s GLU 241 Ca 0.00 -0.10 -0.07 0.00 0.02 0.00 0.00 54.97 54.81 2ksy s GLU 241 Cb 0.00 -0.45 -0.30 0.00 0.10 0.00 0.00 34.13 33.48 2ksy s GLU 241 CO 0.00 0.02 0.94 1.25 0.02 0.00 0.00 175.26 177.49 2ksy h HIS 242 N 6.45 0.61 -3.40 1.61 -0.00 -2.01 -3.44 115.15 114.97 2ksy h HIS 242 Ca -0.32 -0.45 -0.63 0.00 -0.00 0.00 0.00 60.37 58.97 2ksy h HIS 242 Cb 1.18 -0.02 -0.18 0.00 -0.00 0.00 0.00 27.41 28.38 2ksy h HIS 242 CO 0.44 1.44 -0.58 -1.01 -0.00 0.00 0.00 177.93 178.21 2ksy s HIS 243 N -2.62 3.19 -0.05 5.26 3.76 -1.26 -5.02 115.29 118.55 2ksy s HIS 243 Ca -0.09 -0.07 -0.09 0.00 -0.15 0.00 0.00 55.06 54.66 2ksy s HIS 243 Cb 0.06 -2.12 -0.05 0.00 1.11 0.00 0.00 32.58 31.58 2ksy s HIS 243 CO 0.88 0.01 0.41 0.45 -0.85 0.00 0.00 174.74 175.64 2ksy h HIS 244 N 7.12 -0.31 -3.67 1.40 -0.00 -2.05 -3.46 115.15 114.17 2ksy h HIS 244 Ca -0.36 -0.01 -0.44 0.00 -0.00 0.00 0.00 60.37 59.56 2ksy h HIS 244 Cb 1.17 0.10 0.18 0.00 -0.00 0.00 0.00 27.41 28.86 2ksy h HIS 244 CO 0.59 -0.19 0.14 -1.01 -0.00 0.00 0.00 177.93 177.46 2ksy s HIS 245 N -2.64 1.75 -0.23 2.45 3.76 -1.26 -4.65 115.29 114.47 2ksy s HIS 245 Ca -0.05 0.96 -0.05 0.00 -0.15 0.00 0.00 55.06 55.77 2ksy s HIS 245 Cb 0.00 -3.24 0.02 0.00 1.11 0.00 0.00 32.58 30.47 2ksy s HIS 245 CO 0.15 -3.28 0.10 0.72 -0.85 0.00 0.00 174.74 171.57 2ksy n HIS 246 N -4.45 -3.76 -0.57 1.40 8.25 -1.26 -5.14 115.22 109.68 2ksy n HIS 246 Ca 0.05 1.90 0.00 0.00 -0.26 0.00 0.00 57.72 59.41 2ksy n HIS 246 Cb 0.57 -3.66 0.00 0.00 1.12 0.00 0.00 29.99 28.02 2ksy n HIS 246 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56