#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 0.00 1.63 1.12 3.14 -1.26 -4.70 118.33 118.26 2ksy n VAL 2 Ca 0.00 0.00 0.13 0.00 -2.96 0.00 0.00 64.34 61.51 2ksy n VAL 2 Cb 0.00 -0.49 0.78 0.00 -1.06 0.00 0.00 33.84 33.07 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 2.18 -0.84 0.17 7.55 0.00 -1.26 -3.21 105.19 109.78 2ksy n GLY 3 Ca 0.00 -0.16 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 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 0.61 -2.01 0.99 5.85 -2.01 -3.18 115.31 115.55 2ksy h LEU 4 Ca 0.00 -0.45 0.02 0.00 0.84 0.00 0.00 57.88 58.29 2ksy h LEU 4 Cb 0.01 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 40.86 2ksy h LEU 4 CO 0.00 1.23 0.04 0.71 -0.34 0.00 0.00 178.44 180.08 2ksy h THR 5 N 0.30 0.96 -0.86 1.05 1.35 -1.85 -2.04 112.91 111.82 2ksy h THR 5 Ca -0.07 0.00 0.16 0.00 -0.55 0.00 0.00 66.41 65.96 2ksy h THR 5 Cb 1.48 0.97 -0.06 0.00 -1.73 0.00 0.00 68.15 68.81 2ksy h THR 5 CO 0.15 0.00 0.56 0.71 -0.25 0.00 0.00 175.52 176.70 2ksy h THR 6 N 0.00 0.78 0.10 6.82 1.35 -1.76 -1.78 112.91 118.43 2ksy h THR 6 Ca 0.03 -0.19 -0.01 0.00 -0.55 0.00 0.00 66.41 65.69 2ksy h THR 6 Cb 0.11 0.19 0.00 0.00 -1.73 0.00 0.00 68.15 66.71 2ksy h THR 6 CO -0.00 0.10 -0.05 -0.07 -0.25 0.00 0.00 175.52 175.25 2ksy h LEU 7 N 0.55 -0.12 -1.34 3.87 -0.00 -1.55 -1.18 115.31 115.54 2ksy h LEU 7 Ca 0.44 -0.05 0.00 0.00 -0.00 0.00 0.00 57.88 58.27 2ksy h LEU 7 Cb 0.87 0.03 -0.03 0.00 -0.00 0.00 0.00 40.66 41.53 2ksy h LEU 7 CO -0.18 -0.03 0.40 -0.26 -0.00 0.00 0.00 178.44 178.37 2ksy h PHE 8 N -0.20 0.81 -0.63 1.13 0.04 -1.48 -1.80 116.94 114.80 2ksy h PHE 8 Ca -0.01 0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.72 2ksy h PHE 8 Cb 0.16 -0.27 -0.03 0.00 2.20 0.00 0.00 35.95 38.01 2ksy h PHE 8 CO -0.05 0.52 0.23 -1.49 -0.60 0.00 0.00 178.31 176.92 2ksy h TRP 9 N 0.86 0.99 -0.48 -0.55 -0.00 -1.04 -1.55 115.95 114.19 2ksy h TRP 9 Ca 0.23 -0.09 -0.00 0.00 -0.00 0.00 0.00 58.89 59.03 2ksy h TRP 9 Cb -0.07 -0.29 -0.02 0.00 -0.00 0.00 0.00 29.16 28.78 2ksy h TRP 9 CO 0.00 0.79 0.29 -0.07 -0.00 0.00 0.00 178.44 179.45 2ksy h LEU 10 N 0.90 0.57 -1.81 -4.49 3.38 -0.43 -1.69 115.31 111.74 2ksy h LEU 10 Ca 0.21 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 2ksy h LEU 10 Cb 0.24 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 2ksy h LEU 10 CO -0.01 0.46 -0.15 1.23 0.09 0.00 0.00 178.44 180.06 2ksy h GLY 11 N 0.64 0.00 1.96 0.83 0.00 -1.05 -1.99 103.07 103.46 2ksy h GLY 11 Ca 0.17 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.35 2ksy h GLY 11 CO -0.03 0.00 -0.73 0.00 0.00 0.00 0.00 176.54 175.78 2ksy h ALA 12 N 1.85 0.78 0.23 3.60 0.00 -0.42 -2.24 119.26 123.07 2ksy h ALA 12 Ca -0.00 -0.65 -0.01 0.00 0.00 0.00 0.00 54.91 54.24 2ksy h ALA 12 Cb 0.34 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2ksy h ALA 12 CO 0.02 0.89 -0.11 0.82 0.00 0.00 0.00 179.25 180.87 2ksy h ILE 13 N 0.03 0.78 -0.43 0.00 1.08 -0.64 -1.35 117.51 116.97 2ksy h ILE 13 Ca -0.01 -0.85 -0.02 0.00 -0.39 0.00 0.00 64.86 63.59 2ksy h ILE 13 Cb 1.28 1.21 -0.02 0.00 -3.07 0.00 0.00 36.82 36.22 2ksy h ILE 13 CO 0.10 0.16 0.18 1.23 -0.69 0.00 0.00 178.15 179.13 2ksy h GLY 14 N -0.79 0.64 0.85 5.37 0.00 -1.57 -2.48 103.07 105.09 2ksy h GLY 14 Ca -0.03 -0.30 -0.04 0.00 0.00 0.00 0.00 47.33 46.95 2ksy h GLY 14 CO 0.05 0.29 -0.01 1.98 0.00 0.00 0.00 176.54 178.84 2ksy h MET 15 N 0.60 0.45 -0.90 4.80 1.85 -1.41 -2.58 114.93 117.73 2ksy h MET 15 Ca 0.15 -0.15 0.12 0.00 -0.61 0.00 0.00 59.70 59.21 2ksy h MET 15 Cb 0.11 -0.04 -0.08 0.00 0.43 0.00 0.00 31.60 32.02 2ksy h MET 15 CO -0.02 0.64 0.53 1.25 -0.40 0.00 0.00 176.91 178.91 2ksy h LEU 16 N 0.22 0.74 -0.69 3.39 7.12 -0.86 0.77 115.31 126.00 2ksy h LEU 16 Ca 0.07 0.06 0.01 0.00 0.13 0.00 0.00 57.88 58.15 2ksy h LEU 16 Cb 0.44 -0.08 -0.04 0.00 -0.53 0.00 0.00 40.66 40.45 2ksy h LEU 16 CO 0.02 0.39 0.45 0.58 -0.13 0.00 0.00 178.44 179.74 2ksy h VAL 17 N 0.83 1.17 -0.65 1.05 2.07 -1.23 -2.25 116.25 117.24 2ksy h VAL 17 Ca 0.46 -0.32 -0.08 0.00 0.82 0.00 0.00 66.70 67.58 2ksy h VAL 17 Cb 0.49 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 2ksy h VAL 17 CO -0.28 0.17 0.09 1.23 0.02 0.00 0.00 177.57 178.80 2ksy h GLY 18 N 0.92 1.17 0.38 2.17 0.00 -0.67 -1.18 103.07 105.86 2ksy h GLY 18 Ca 0.26 -0.79 0.07 0.00 0.00 0.00 0.00 47.33 46.87 2ksy h GLY 18 CO -0.06 0.73 0.00 -0.84 0.00 0.00 0.00 176.54 176.37 2ksy h THR 19 N 1.01 0.71 -0.14 4.70 2.02 -0.38 -0.15 112.91 120.68 2ksy h THR 19 Ca 0.20 -0.04 -0.16 0.00 0.77 0.00 0.00 66.41 67.18 2ksy h THR 19 Cb 0.45 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 2ksy h THR 19 CO 0.01 0.02 -0.58 -0.07 0.37 0.00 0.00 175.52 175.27 2ksy h LEU 20 N 0.11 0.50 -1.24 2.58 3.38 -1.32 -1.18 115.31 118.13 2ksy h LEU 20 Ca 0.19 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 2ksy h LEU 20 Cb 0.27 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2ksy h LEU 20 CO -0.32 0.97 -0.02 0.00 0.09 0.00 0.00 178.44 179.16 2ksy h ALA 21 N 1.04 1.38 0.10 1.53 0.00 -0.33 -1.42 119.26 121.55 2ksy h ALA 21 Ca -0.00 -0.20 -0.35 0.00 0.00 0.00 0.00 54.91 54.36 2ksy h ALA 21 Cb 1.11 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2ksy h ALA 21 CO 0.10 0.43 -1.94 1.19 0.00 0.00 0.00 179.25 179.04 2ksy n PHE 22 N -4.28 1.21 0.04 0.00 3.72 -0.15 -3.36 117.46 114.64 2ksy n PHE 22 Ca 0.01 0.29 -0.13 0.00 -0.05 0.00 0.00 57.45 57.57 2ksy n PHE 22 Cb 0.25 -1.17 -0.08 0.00 -0.94 0.00 0.00 39.48 37.54 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 0.28 -0.08 0.13 4.37 0.00 -1.18 0.24 119.26 123.01 2ksy h ALA 23 Ca -0.39 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 2ksy h ALA 23 Cb 2.03 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.85 2ksy h ALA 23 CO 0.09 -0.42 -0.06 2.35 0.00 0.00 0.00 179.25 181.20 2ksy h TRP 24 N -0.32 -0.16 0.00 0.00 2.91 -1.46 -1.95 115.95 114.97 2ksy h TRP 24 Ca -0.01 -0.00 -0.04 0.00 1.13 0.00 0.00 58.89 59.97 2ksy h TRP 24 Cb 0.28 0.05 -0.01 0.00 -0.51 0.00 0.00 29.16 28.98 2ksy h TRP 24 CO 0.01 0.04 -0.17 0.00 -1.03 0.00 0.00 178.44 177.29 2ksy h ALA 25 N 0.50 1.21 -0.16 2.65 0.00 -1.60 -2.99 119.26 118.86 2ksy h ALA 25 Ca -0.02 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 2ksy h ALA 25 Cb 0.28 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2ksy h ALA 25 CO 0.03 0.22 -0.32 0.78 0.00 0.00 0.00 179.25 179.96 2ksy h GLY 26 N 1.24 0.54 2.00 0.00 0.00 -0.23 -2.98 103.07 103.64 2ksy h GLY 26 Ca -0.00 -0.64 0.00 0.00 0.00 0.00 0.00 47.33 46.69 2ksy h GLY 26 CO 0.02 0.58 0.00 0.54 0.00 0.00 0.00 176.54 177.68 2ksy n ARG 27 N -4.36 0.17 -3.80 4.80 5.12 -0.76 -3.98 116.66 113.85 2ksy n ARG 27 Ca -0.06 0.57 -0.35 0.00 -1.93 0.00 0.00 57.85 56.08 2ksy n ARG 27 Cb 0.48 -1.95 -0.11 0.00 -1.16 0.00 0.00 32.46 29.72 2ksy n ARG 27 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 2ksy s ASP 28 N -4.16 5.03 0.00 0.55 2.15 -1.12 -5.03 116.67 114.08 2ksy s ASP 28 Ca -0.00 -2.62 0.00 0.00 0.43 0.00 0.00 52.55 50.36 2ksy s ASP 28 Cb 0.07 -1.79 0.00 0.00 -0.30 0.00 0.00 42.92 40.91 2ksy s ASP 28 CO 0.27 -0.39 0.00 0.00 -0.17 0.00 0.00 175.17 174.89 2ksy n ALA 29 N 3.75 0.00 -1.55 3.66 0.00 -1.26 -4.88 120.51 120.23 2ksy n ALA 29 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2ksy n ALA 29 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.83 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 0.63 2.81 0.00 0.00 -1.26 -5.09 105.19 102.28 2ksy n GLY 30 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 2ksy n GLY 30 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ksy s SER 31 N -1.00 1.49 0.00 1.61 0.01 -1.26 -4.83 113.70 109.72 2ksy s SER 31 Ca 0.00 -0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.15 2ksy s SER 31 Cb 0.00 -0.47 0.00 0.00 0.21 0.00 0.00 66.02 65.76 2ksy s SER 31 CO 0.00 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.10 2ksy n GLY 32 N 4.90 3.13 0.30 3.44 0.00 -1.26 -4.88 105.19 110.82 2ksy n GLY 32 Ca -0.11 -1.06 0.19 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.11 1.61 4.39 -2.00 -3.04 114.58 114.44 2ksy h GLU 33 Ca 0.00 0.00 0.30 0.00 0.34 0.00 0.00 59.36 60.00 2ksy h GLU 33 Cb 0.00 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 28.57 2ksy h GLU 33 CO 0.00 0.02 0.74 0.00 -1.16 0.00 0.00 179.01 178.61 2ksy h ARG 34 N 0.00 0.22 0.21 2.33 3.08 -1.89 -0.60 114.38 117.73 2ksy h ARG 34 Ca -0.00 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 2ksy h ARG 34 Cb 0.33 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 2ksy h ARG 34 CO 0.00 0.15 -0.14 0.00 -1.07 0.00 0.00 179.97 178.91 2ksy h ARG 35 N 0.23 -0.33 0.00 0.04 3.08 -1.97 0.00 114.38 115.42 2ksy h ARG 35 Ca 0.60 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.66 2ksy h ARG 35 Cb 1.84 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 31.97 2ksy h ARG 35 CO -0.20 -0.22 -0.06 1.88 -1.07 0.00 0.00 179.97 180.30 2ksy h TYR 36 N -0.35 0.00 0.09 3.04 -1.99 -1.35 -1.86 116.97 114.55 2ksy h TYR 36 Ca -0.02 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.71 2ksy h TYR 36 Cb 0.30 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.03 2ksy h TYR 36 CO -0.10 0.06 -0.04 1.88 -0.00 0.00 0.00 178.16 179.96 2ksy h TYR 37 N 0.00 -0.11 -0.79 4.88 0.05 -0.98 -1.22 116.97 118.80 2ksy h TYR 37 Ca -0.00 -0.00 0.08 0.00 0.05 0.00 0.00 58.73 58.85 2ksy h TYR 37 Cb 0.11 0.04 -0.05 0.00 1.01 0.00 0.00 36.73 37.83 2ksy h TYR 37 CO 0.00 0.42 0.52 0.28 -1.05 0.00 0.00 178.16 178.33 2ksy h VAL 38 N -0.79 1.01 -0.19 -2.88 2.07 -0.83 0.84 116.25 115.47 2ksy h VAL 38 Ca -0.01 -0.28 -0.05 0.00 0.82 0.00 0.00 66.70 67.18 2ksy h VAL 38 Cb 0.58 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 2ksy h VAL 38 CO 0.02 0.15 -0.08 0.74 0.02 0.00 0.00 177.57 178.42 2ksy h THR 39 N 0.81 1.30 -0.44 2.57 2.02 -1.37 -0.81 112.91 116.98 2ksy h THR 39 Ca 0.35 -1.11 0.00 0.00 0.77 0.00 0.00 66.41 66.42 2ksy h THR 39 Cb 0.31 1.63 -0.02 0.00 -1.74 0.00 0.00 68.15 68.33 2ksy h THR 39 CO -0.13 0.34 0.28 0.25 0.37 0.00 0.00 175.52 176.63 2ksy h LEU 40 N 0.10 0.52 -1.16 2.58 5.85 -0.34 -1.92 115.31 120.94 2ksy h LEU 40 Ca 0.05 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.67 2ksy h LEU 40 Cb 0.55 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 2ksy h LEU 40 CO 0.03 0.40 -0.11 0.58 -0.34 0.00 0.00 178.44 178.99 2ksy h VAL 41 N 0.59 1.22 -0.08 1.05 2.07 -0.85 -2.88 116.25 117.37 2ksy h VAL 41 Ca 0.16 -0.95 0.03 0.00 0.82 0.00 0.00 66.70 66.76 2ksy h VAL 41 Cb -0.04 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 2ksy h VAL 41 CO -0.03 0.31 -0.12 1.23 0.02 0.00 0.00 177.57 178.97 2ksy h GLY 42 N 0.89 -0.08 0.84 2.17 0.00 -0.34 0.12 103.07 106.67 2ksy h GLY 42 Ca 0.08 0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.56 2ksy h GLY 42 CO 0.03 -0.13 0.03 0.16 0.00 0.00 0.00 176.54 176.62 2ksy h ILE 43 N -0.17 1.16 0.00 2.60 3.07 -1.40 -1.89 117.51 120.89 2ksy h ILE 43 Ca 0.07 -0.49 -0.00 0.00 1.55 0.00 0.00 64.86 65.99 2ksy h ILE 43 Cb 0.27 1.34 -0.00 0.00 -0.27 0.00 0.00 36.82 38.16 2ksy h ILE 43 CO -0.18 0.14 -0.02 -1.28 -1.05 0.00 0.00 178.15 175.76 2ksy h SER 44 N -0.05 0.00 0.20 2.16 0.87 -1.35 -1.85 113.55 113.53 2ksy h SER 44 Ca 0.03 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.58 2ksy h SER 44 Cb 0.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 2ksy h SER 44 CO -0.00 0.02 -0.10 1.23 -0.53 0.00 0.00 176.83 177.45 2ksy h GLY 45 N 0.09 -0.28 1.21 5.77 0.00 -0.35 -2.64 103.07 106.86 2ksy h GLY 45 Ca -0.00 0.11 0.06 0.00 0.00 0.00 0.00 47.33 47.49 2ksy h GLY 45 CO 0.00 -0.10 0.39 0.16 0.00 0.00 0.00 176.54 176.99 2ksy h ILE 46 N -1.03 1.01 -0.33 2.60 3.07 -1.32 -1.89 117.51 119.62 2ksy h ILE 46 Ca -0.03 -0.20 -0.07 0.00 1.55 0.00 0.00 64.86 66.11 2ksy h ILE 46 Cb 0.21 0.36 -0.01 0.00 -0.27 0.00 0.00 36.82 37.11 2ksy h ILE 46 CO 0.05 0.11 -0.07 0.00 -1.05 0.00 0.00 178.15 177.19 2ksy h ALA 47 N 1.67 0.45 -0.49 0.16 0.00 -1.45 -0.86 119.26 118.74 2ksy h ALA 47 Ca 0.25 -0.28 0.08 0.00 0.00 0.00 0.00 54.91 54.95 2ksy h ALA 47 Cb 0.25 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 2ksy h ALA 47 CO -0.07 0.28 0.14 0.00 0.00 0.00 0.00 179.25 179.59 2ksy h ALA 48 N 0.81 0.58 -0.11 0.00 0.00 -0.96 -0.55 119.26 119.03 2ksy h ALA 48 Ca 0.09 0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.93 2ksy h ALA 48 Cb 0.55 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2ksy h ALA 48 CO 0.03 -0.27 -0.60 -0.39 0.00 0.00 0.00 179.25 178.03 2ksy h VAL 49 N 0.29 1.36 -0.87 0.00 -1.51 -1.46 -2.44 116.25 111.62 2ksy h VAL 49 Ca 0.24 -1.93 0.01 0.00 -1.23 0.00 0.00 66.70 63.79 2ksy h VAL 49 Cb 0.30 1.93 -0.04 0.00 -2.13 0.00 0.00 31.29 31.35 2ksy h VAL 49 CO -0.28 0.58 0.58 0.00 -1.23 0.00 0.00 177.57 177.21 2ksy h ALA 50 N 1.10 1.11 -0.08 5.19 0.00 -0.15 0.60 119.26 127.03 2ksy h ALA 50 Ca -0.00 -0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.66 2ksy h ALA 50 Cb 1.12 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2ksy h ALA 50 CO 0.10 0.52 -0.71 1.88 0.00 0.00 0.00 179.25 181.04 2ksy h TYR 51 N 1.19 0.52 -0.30 0.00 0.05 -1.08 -2.25 116.97 115.08 2ksy h TYR 51 Ca 0.32 -0.23 -0.05 0.00 0.05 0.00 0.00 58.73 58.82 2ksy h TYR 51 Cb -0.13 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 37.52 2ksy h TYR 51 CO -0.01 0.97 -0.02 0.00 -1.05 0.00 0.00 178.16 178.05 2ksy h ALA 52 N 0.97 0.41 -0.27 3.88 0.00 -0.92 0.59 119.26 123.92 2ksy h ALA 52 Ca -0.03 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 2ksy h ALA 52 Cb 1.28 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2ksy h ALA 52 CO 0.12 0.18 -0.02 -0.39 0.00 0.00 0.00 179.25 179.15 2ksy h VAL 53 N 0.34 1.27 -0.33 0.00 -1.51 -0.91 -2.70 116.25 112.40 2ksy h VAL 53 Ca 0.08 -0.97 -0.05 0.00 -1.23 0.00 0.00 66.70 64.53 2ksy h VAL 53 Cb 0.47 1.37 -0.02 0.00 -2.13 0.00 0.00 31.29 30.99 2ksy h VAL 53 CO 0.02 0.31 -0.02 0.24 -1.23 0.00 0.00 177.57 176.88 2ksy h MET 54 N 0.25 0.52 0.00 5.19 2.07 -1.40 -0.64 114.93 120.93 2ksy h MET 54 Ca 0.07 -0.12 -0.01 0.00 -2.07 0.00 0.00 59.70 57.57 2ksy h MET 54 Cb 0.46 -0.07 -0.00 0.00 -1.87 0.00 0.00 31.60 30.11 2ksy h MET 54 CO 0.02 0.57 -0.06 0.00 1.07 0.00 0.00 176.91 178.51 2ksy h ALA 55 N 1.48 1.23 -0.01 6.32 0.00 -0.63 -1.02 119.26 126.64 2ksy h ALA 55 Ca 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2ksy h ALA 55 Cb 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2ksy h ALA 55 CO 0.01 0.07 -0.38 1.28 0.00 0.00 0.00 179.25 180.24 2ksy n LEU 56 N -3.49 1.36 0.00 0.00 4.77 -0.58 -4.76 117.00 114.29 2ksy n LEU 56 Ca -0.02 -0.44 0.00 0.00 -0.03 0.00 0.00 56.01 55.52 2ksy n LEU 56 Cb 0.18 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 2ksy n LEU 56 CO 0.27 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 2ksy n GLY 57 N 1.38 0.94 3.75 -0.72 0.00 -0.39 -5.08 105.19 105.08 2ksy n GLY 57 Ca 0.10 -0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.00 4.62 0.00 1.61 1.01 -0.35 -3.48 120.40 121.82 2ksy s VAL 58 Ca 0.00 1.74 0.00 0.00 0.00 0.00 0.00 61.98 63.72 2ksy s VAL 58 Cb 0.00 -4.16 0.00 0.00 0.00 0.00 0.00 36.38 32.22 2ksy s VAL 58 CO 0.00 0.38 0.00 0.61 0.00 0.00 0.00 175.10 176.09 2ksy n GLY 59 N 2.24 1.88 3.56 4.51 0.00 -1.26 -4.21 105.19 111.91 2ksy n GLY 59 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.44 1.62 -0.19 1.61 0.52 -1.23 -2.42 118.94 115.42 2ksy s TRP 60 Ca 0.00 0.98 -0.09 0.00 0.02 0.00 0.00 56.10 57.01 2ksy s TRP 60 Cb 0.00 -3.89 -0.05 0.00 -1.15 0.00 0.00 33.47 28.38 2ksy s TRP 60 CO 0.00 -1.75 0.10 0.54 0.02 0.00 0.00 176.95 175.87 2ksy s VAL 61 N 11.20 5.18 0.46 4.03 0.11 -0.82 -5.00 120.40 135.56 2ksy s VAL 61 Ca 0.76 0.11 -0.22 0.00 -2.93 0.00 0.00 61.98 59.70 2ksy s VAL 61 Cb -0.09 -3.35 -0.08 0.00 -1.53 0.00 0.00 36.38 31.33 2ksy s VAL 61 CO 0.03 0.45 1.07 -2.84 -3.33 0.00 0.00 175.10 170.48 2ksy s PRO 62 N 0.36 3.87 -0.33 1.54 0.02 -1.26 -2.39 135.00 136.81 2ksy s PRO 62 Ca 0.06 1.49 -0.00 0.00 0.02 0.00 0.00 61.00 62.57 2ksy s PRO 62 Cb -0.11 -2.28 0.13 0.00 0.02 0.00 0.00 34.50 32.26 2ksy s PRO 62 CO -0.01 -0.39 0.25 0.08 -0.33 0.00 0.00 177.00 176.60 2ksy s VAL 63 N -1.79 -0.11 0.00 3.83 1.01 0.33 -4.91 120.40 118.76 2ksy s VAL 63 Ca 0.64 -1.13 0.00 0.00 0.00 0.00 0.00 61.98 61.49 2ksy s VAL 63 Cb -0.21 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 35.22 2ksy s VAL 63 CO 0.25 -0.75 0.00 0.00 0.00 0.00 0.00 175.10 174.60 2ksy n ALA 64 N 4.55 0.00 0.00 5.51 0.00 -1.26 -0.38 120.51 128.93 2ksy n ALA 64 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2ksy n ALA 64 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 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 2.44 -4.11 0.00 0.28 -1.26 -5.06 120.64 112.93 2ksy n GLU 65 Ca 0.00 0.00 -0.22 0.00 -0.16 0.00 0.00 57.16 56.78 2ksy n GLU 65 Cb 0.00 -0.76 -0.04 0.00 1.43 0.00 0.00 31.44 32.07 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 -1.38 2.93 -0.04 3.44 1.70 0.49 -5.13 118.95 120.97 2ksy s ARG 66 Ca 0.00 -1.04 0.07 0.00 -0.47 0.00 0.00 55.73 54.29 2ksy s ARG 66 Cb 0.00 -2.57 -0.02 0.00 -0.57 0.00 0.00 34.95 31.79 2ksy s ARG 66 CO 0.00 0.41 -0.24 0.99 -1.08 0.00 0.00 175.30 175.37 2ksy s THR 67 N -2.11 2.18 0.06 4.99 2.01 -1.26 -0.52 115.64 121.00 2ksy s THR 67 Ca 0.33 -1.05 0.07 0.00 0.31 0.00 0.00 61.69 61.35 2ksy s THR 67 Cb -0.08 -1.78 -0.03 0.00 0.01 0.00 0.00 72.50 70.63 2ksy s THR 67 CO 0.25 0.58 -0.19 0.68 -0.69 0.00 0.00 174.62 175.24 2ksy s VAL 68 N -0.48 1.57 -0.28 3.82 -7.23 -1.00 -4.98 120.40 111.81 2ksy s VAL 68 Ca 0.06 -1.26 -0.06 0.00 -1.81 0.00 0.00 61.98 58.91 2ksy s VAL 68 Cb -0.11 -1.39 0.01 0.00 0.56 0.00 0.00 36.38 35.44 2ksy s VAL 68 CO 0.01 0.09 0.06 -0.36 -0.31 0.00 0.00 175.10 174.59 2ksy s PHE 69 N -0.92 3.12 0.29 2.82 0.08 -1.26 -1.95 117.98 120.17 2ksy s PHE 69 Ca 0.06 -0.96 0.05 0.00 0.12 0.00 0.00 56.93 56.20 2ksy s PHE 69 Cb -0.09 -2.23 0.44 0.00 -0.57 0.00 0.00 43.02 40.57 2ksy s PHE 69 CO 0.02 -0.56 1.71 -0.24 -0.10 0.00 0.00 175.22 176.05 2ksy h VAL 70 N 5.84 1.28 -0.14 -0.44 3.04 -1.79 -3.12 116.25 120.92 2ksy h VAL 70 Ca -0.33 -1.38 -0.08 0.00 -1.01 0.00 0.00 66.70 63.91 2ksy h VAL 70 Cb 1.13 1.52 -0.01 0.00 -2.01 0.00 0.00 31.29 31.92 2ksy h VAL 70 CO 0.60 0.42 -0.25 -0.65 -1.01 0.00 0.00 177.57 176.68 2ksy h PRO 71 N 0.30 0.25 0.08 4.17 0.11 -1.83 0.01 132.00 135.10 2ksy h PRO 71 Ca 0.04 -0.08 -0.00 0.00 0.11 0.00 0.00 66.00 66.06 2ksy h PRO 71 Cb 0.74 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.83 2ksy h PRO 71 CO 0.06 0.49 -0.04 -0.09 -0.21 0.00 0.00 178.00 178.21 2ksy h ARG 72 N 0.23 -0.11 -0.24 1.05 2.43 -1.88 0.31 114.38 116.17 2ksy h ARG 72 Ca 0.04 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.20 2ksy h ARG 72 Cb 0.57 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 2ksy h ARG 72 CO 0.04 0.17 0.08 1.88 -1.51 0.00 0.00 179.97 180.64 2ksy h TYR 73 N -0.39 0.38 -0.38 2.20 0.05 -1.54 -2.50 116.97 114.80 2ksy h TYR 73 Ca -0.01 -0.03 -0.05 0.00 0.05 0.00 0.00 58.73 58.69 2ksy h TYR 73 Cb 0.33 -0.11 -0.02 0.00 1.01 0.00 0.00 36.73 37.94 2ksy h TYR 73 CO 0.02 0.42 0.04 0.97 -1.05 0.00 0.00 178.16 178.56 2ksy h ILE 74 N 0.23 1.19 -0.96 -2.88 -0.00 -0.99 -1.92 117.51 112.19 2ksy h ILE 74 Ca 0.08 -0.74 0.04 0.00 -0.00 0.00 0.00 64.86 64.24 2ksy h ILE 74 Cb 0.21 0.86 -0.06 0.00 -0.00 0.00 0.00 36.82 37.84 2ksy h ILE 74 CO -0.00 0.26 0.63 -0.78 -0.00 0.00 0.00 178.15 178.25 2ksy h ASP 75 N 0.56 1.02 -0.28 2.19 3.58 -0.01 -1.01 116.42 122.47 2ksy h ASP 75 Ca 0.12 -0.01 -0.11 0.00 0.42 0.00 0.00 57.03 57.46 2ksy h ASP 75 Cb 0.29 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.10 2ksy h ASP 75 CO 0.00 0.69 -0.20 -0.50 -2.88 0.00 0.00 179.24 176.35 2ksy h TRP 76 N 1.18 0.83 -0.43 0.28 6.55 -0.94 0.88 115.95 124.30 2ksy h TRP 76 Ca 0.39 -0.18 0.01 0.00 0.95 0.00 0.00 58.89 60.06 2ksy h TRP 76 Cb 0.06 -0.20 -0.02 0.00 -0.86 0.00 0.00 29.16 28.14 2ksy h TRP 76 CO -0.00 0.88 0.28 0.82 -1.05 0.00 0.00 178.44 179.37 2ksy h ILE 77 N 0.65 1.09 0.00 1.49 2.04 -0.74 0.18 117.51 122.23 2ksy h ILE 77 Ca 0.10 -0.19 -0.21 0.00 1.00 0.00 0.00 64.86 65.55 2ksy h ILE 77 Cb 0.70 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 2ksy h ILE 77 CO 0.05 0.10 -1.63 0.18 0.00 0.00 0.00 178.15 176.85 2ksy n LEU 78 N -4.47 0.72 -0.10 1.44 4.77 -0.90 -4.40 117.00 114.07 2ksy n LEU 78 Ca 0.04 0.33 -0.18 0.00 -0.03 0.00 0.00 56.01 56.17 2ksy n LEU 78 Cb 0.08 0.14 -0.09 0.00 -2.33 0.00 0.00 43.42 41.23 2ksy n LEU 78 CO 0.35 0.24 -0.52 0.35 -1.33 0.00 0.00 177.39 176.48 2ksy n THR 79 N -2.88 1.50 -0.12 -5.08 -2.24 0.27 -4.18 114.28 101.56 2ksy n THR 79 Ca -0.14 0.02 -0.07 0.00 -2.27 0.00 0.00 64.05 61.60 2ksy n THR 79 Cb 0.92 -2.13 -0.01 0.00 -2.10 0.00 0.00 70.33 67.01 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 -1.00 0.25 -0.26 4.28 2.02 -0.86 0.14 112.91 117.47 2ksy h THR 80 Ca -0.27 0.00 0.08 0.00 0.77 0.00 0.00 66.41 66.99 2ksy h THR 80 Cb 1.11 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 2ksy h THR 80 CO -0.16 0.00 0.24 -0.65 0.37 0.00 0.00 175.52 175.31 2ksy h PRO 81 N -0.23 0.00 0.02 6.66 0.11 -1.77 0.42 132.00 137.21 2ksy h PRO 81 Ca 0.18 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 66.08 2ksy h PRO 81 Cb 0.53 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.63 2ksy h PRO 81 CO -0.54 0.00 -0.94 1.25 -0.21 0.00 0.00 178.00 177.56 2ksy h LEU 82 N 0.00 0.27 0.28 2.35 5.85 -0.93 -2.06 115.31 121.06 2ksy h LEU 82 Ca 0.13 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 2ksy h LEU 82 Cb 0.60 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.55 2ksy h LEU 82 CO -0.00 1.07 -0.13 0.40 -0.34 0.00 0.00 178.44 179.43 2ksy h ILE 83 N 0.10 0.76 0.00 4.05 1.08 0.26 -0.62 117.51 123.14 2ksy h ILE 83 Ca -0.05 -0.54 -0.01 0.00 -0.39 0.00 0.00 64.86 63.86 2ksy h ILE 83 Cb 1.60 1.05 -0.00 0.00 -3.07 0.00 0.00 36.82 36.40 2ksy h ILE 83 CO 0.14 0.11 -0.03 -0.37 -0.69 0.00 0.00 178.15 177.32 2ksy h VAL 84 N -0.67 1.01 -0.29 1.67 -1.51 -1.52 0.10 116.25 115.05 2ksy h VAL 84 Ca -0.04 -0.10 -0.07 0.00 -1.23 0.00 0.00 66.70 65.26 2ksy h VAL 84 Cb 0.47 1.06 -0.02 0.00 -2.13 0.00 0.00 31.29 30.67 2ksy h VAL 84 CO 0.06 0.03 -0.12 0.22 -1.23 0.00 0.00 177.57 176.53 2ksy h TYR 85 N 0.00 0.52 0.14 5.19 3.20 -1.03 -0.40 116.97 124.59 2ksy h TYR 85 Ca -0.00 -0.08 -0.01 0.00 3.14 0.00 0.00 58.73 61.78 2ksy h TYR 85 Cb 0.05 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.18 2ksy h TYR 85 CO 0.00 0.60 -0.07 0.35 -1.64 0.00 0.00 178.16 177.40 2ksy h PHE 86 N 0.45 -0.17 -0.10 -3.82 3.04 0.81 -1.37 116.94 115.77 2ksy h PHE 86 Ca 0.08 -0.00 -0.04 0.00 3.98 0.00 0.00 57.97 61.98 2ksy h PHE 86 Cb 0.49 0.06 -0.01 0.00 2.56 0.00 0.00 35.95 39.05 2ksy h PHE 86 CO 0.02 -0.05 -0.14 -0.07 -2.02 0.00 0.00 178.31 176.04 2ksy h LEU 87 N -0.25 0.15 -1.49 0.59 4.07 -1.28 -1.63 115.31 115.47 2ksy h LEU 87 Ca -0.02 -0.03 -0.05 0.00 0.08 0.00 0.00 57.88 57.86 2ksy h LEU 87 Cb 0.20 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 41.89 2ksy h LEU 87 CO 0.03 0.31 -0.26 1.23 -1.08 0.00 0.00 178.44 178.68 2ksy h GLY 88 N 0.67 0.00 0.71 0.83 0.00 -0.52 -2.81 103.07 101.96 2ksy h GLY 88 Ca 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.23 2ksy h GLY 88 CO 0.02 0.00 -0.53 1.41 0.00 0.00 0.00 176.54 177.44 2ksy h LEU 89 N 0.00 0.47 -1.18 3.11 3.38 -0.30 0.61 115.31 121.40 2ksy h LEU 89 Ca -0.00 -0.77 0.12 0.00 0.09 0.00 0.00 57.88 57.32 2ksy h LEU 89 Cb 0.53 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 41.06 2ksy h LEU 89 CO 0.03 1.18 0.59 -0.07 0.09 0.00 0.00 178.44 180.26 2ksy h LEU 90 N -0.19 0.78 0.00 1.67 3.38 -1.31 -3.03 115.31 116.61 2ksy h LEU 90 Ca -0.07 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 2ksy h LEU 90 Cb 1.26 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 2ksy h LEU 90 CO 0.11 0.43 -0.42 0.00 0.09 0.00 0.00 178.44 178.64 2ksy h ALA 91 N 1.57 0.07 0.00 1.53 0.00 -1.55 -3.44 119.26 117.44 2ksy h ALA 91 Ca 0.45 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2ksy h ALA 91 Cb 0.54 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2ksy h ALA 91 CO -0.21 0.27 0.00 0.41 0.00 0.00 0.00 179.25 179.72 2ksy n GLY 92 N 1.60 0.86 3.89 0.00 0.00 0.19 -4.39 105.19 107.36 2ksy n GLY 92 Ca -0.13 -0.78 -0.29 0.00 0.00 0.00 0.00 46.02 44.82 2ksy n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ksy s LEU 93 N 0.00 2.90 0.91 0.99 1.02 -1.16 -5.06 118.68 118.28 2ksy s LEU 93 Ca 0.00 0.96 -0.12 0.00 0.02 0.00 0.00 54.13 54.99 2ksy s LEU 93 Cb 0.00 -3.72 0.18 0.00 0.02 0.00 0.00 46.19 42.68 2ksy s LEU 93 CO 0.00 -1.38 1.25 -1.81 0.02 0.00 0.00 176.35 174.43 2ksy s ASP 94 N -4.39 3.39 0.33 2.29 1.11 -1.26 -4.82 116.67 113.33 2ksy s ASP 94 Ca 0.58 0.12 0.04 0.00 0.18 0.00 0.00 52.55 53.47 2ksy s ASP 94 Cb -0.11 -0.24 0.59 0.00 1.07 0.00 0.00 42.92 44.24 2ksy s ASP 94 CO 0.50 -2.54 1.87 0.77 1.18 0.00 0.00 175.17 176.95 2ksy h SER 95 N -1.39 0.49 0.04 0.27 4.64 -1.99 -1.33 113.55 114.28 2ksy h SER 95 Ca -0.42 -0.10 -0.00 0.00 -0.47 0.00 0.00 61.79 60.80 2ksy h SER 95 Cb 1.24 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 2ksy h SER 95 CO 0.38 0.57 -0.02 0.03 -0.87 0.00 0.00 176.83 176.92 2ksy h ARG 96 N 0.50 -0.05 -0.62 4.77 3.08 -2.00 -2.78 114.38 117.28 2ksy h ARG 96 Ca 0.11 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.21 2ksy h ARG 96 Cb 0.34 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.36 2ksy h ARG 96 CO 0.01 0.56 0.35 0.93 -1.07 0.00 0.00 179.97 180.75 2ksy h GLU 97 N -0.74 0.65 -0.08 0.04 5.08 -1.92 -2.42 114.58 115.20 2ksy h GLU 97 Ca -0.01 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2ksy h GLU 97 Cb 0.64 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 2ksy h GLU 97 CO 0.01 0.43 -0.06 0.74 -1.00 0.00 0.00 179.01 179.13 2ksy h PHE 98 N 0.67 -0.14 -0.77 4.33 0.04 -1.32 -2.06 116.94 117.68 2ksy h PHE 98 Ca 0.27 0.01 0.14 0.00 2.80 0.00 0.00 57.97 61.19 2ksy h PHE 98 Cb 0.13 0.07 -0.05 0.00 2.20 0.00 0.00 35.95 38.30 2ksy h PHE 98 CO -0.08 -0.09 0.51 0.78 -0.60 0.00 0.00 178.31 178.83 2ksy h GLY 99 N -0.07 0.80 0.96 -1.45 0.00 -1.16 -0.98 103.07 101.16 2ksy h GLY 99 Ca 0.05 -0.20 -0.07 0.00 0.00 0.00 0.00 47.33 47.10 2ksy h GLY 99 CO -0.12 0.07 -0.04 -2.22 0.00 0.00 0.00 176.54 174.23 2ksy h ILE 100 N 0.47 1.27 -0.25 2.60 2.04 -0.92 -1.30 117.51 121.43 2ksy h ILE 100 Ca 0.38 -1.09 -0.09 0.00 1.00 0.00 0.00 64.86 65.07 2ksy h ILE 100 Cb 0.80 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 38.04 2ksy h ILE 100 CO -0.13 0.36 -0.18 0.58 0.00 0.00 0.00 178.15 178.78 2ksy h VAL 101 N 0.55 1.31 -0.22 1.67 2.07 -0.89 -2.49 116.25 118.25 2ksy h VAL 101 Ca 0.11 -1.31 -0.03 0.00 0.82 0.00 0.00 66.70 66.28 2ksy h VAL 101 Cb 0.54 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 2ksy h VAL 101 CO 0.03 0.41 0.02 0.40 0.02 0.00 0.00 177.57 178.45 2ksy h ILE 102 N 0.27 1.24 -0.53 4.57 1.08 -1.23 -2.67 117.51 120.23 2ksy h ILE 102 Ca 0.05 -0.79 -0.02 0.00 -0.39 0.00 0.00 64.86 63.70 2ksy h ILE 102 Cb 0.72 1.34 -0.03 0.00 -3.07 0.00 0.00 36.82 35.78 2ksy h ILE 102 CO 0.05 0.25 0.24 0.00 -0.69 0.00 0.00 178.15 178.00 2ksy h THR 103 N 0.16 1.18 -0.28 -0.27 1.03 -1.29 -2.05 112.91 111.39 2ksy h THR 103 Ca 0.06 -0.53 -0.01 0.00 -0.01 0.00 0.00 66.41 65.92 2ksy h THR 103 Cb 0.35 0.52 -0.01 0.00 -1.07 0.00 0.00 68.15 67.93 2ksy h THR 103 CO 0.01 0.22 0.13 0.25 -0.01 0.00 0.00 175.52 176.11 2ksy h LEU 104 N 0.75 0.37 -1.82 0.00 5.85 -1.30 -2.17 115.31 116.99 2ksy h LEU 104 Ca 0.18 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 2ksy h LEU 104 Cb 0.10 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 2ksy h LEU 104 CO -0.02 0.40 -0.15 0.78 -0.34 0.00 0.00 178.44 179.12 2ksy h ASN 105 N 0.32 0.00 0.34 1.25 -0.26 -1.13 -2.30 115.58 113.80 2ksy h ASN 105 Ca 0.10 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.82 2ksy h ASN 105 Cb 0.14 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.40 2ksy h ASN 105 CO -0.01 0.15 -0.17 0.74 -1.06 0.00 0.00 177.43 177.08 2ksy h THR 106 N 0.00 0.61 -0.73 2.81 2.02 -0.76 -1.32 112.91 115.55 2ksy h THR 106 Ca -0.00 -0.58 -0.03 0.00 0.77 0.00 0.00 66.41 66.56 2ksy h THR 106 Cb 0.35 0.88 -0.03 0.00 -1.74 0.00 0.00 68.15 67.61 2ksy h THR 106 CO 0.02 0.10 0.33 1.62 0.37 0.00 0.00 175.52 177.96 2ksy h VAL 107 N -0.82 1.24 -0.44 3.16 3.04 -1.36 -1.09 116.25 119.98 2ksy h VAL 107 Ca -0.05 -0.69 -0.02 0.00 -1.01 0.00 0.00 66.70 64.93 2ksy h VAL 107 Cb 0.52 0.32 -0.02 0.00 -2.01 0.00 0.00 31.29 30.11 2ksy h VAL 107 CO 0.08 0.29 0.21 0.58 -1.01 0.00 0.00 177.57 177.71 2ksy h VAL 108 N 1.04 1.19 0.00 1.51 2.07 -1.43 -0.73 116.25 119.89 2ksy h VAL 108 Ca 0.25 -0.54 -0.04 0.00 0.82 0.00 0.00 66.70 67.18 2ksy h VAL 108 Cb 0.14 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 2ksy h VAL 108 CO -0.03 0.21 -0.21 -0.03 0.02 0.00 0.00 177.57 177.53 2ksy h MET 109 N 0.58 0.00 0.00 1.57 4.05 -0.90 -2.15 114.93 118.08 2ksy h MET 109 Ca 0.15 0.00 -0.18 0.00 -0.28 0.00 0.00 59.70 59.39 2ksy h MET 109 Cb 0.14 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.92 2ksy h MET 109 CO -0.02 0.21 -0.82 1.25 0.23 0.00 0.00 176.91 177.76 2ksy h LEU 110 N 0.00 0.09 0.28 3.39 5.85 -0.43 -2.32 115.31 122.17 2ksy h LEU 110 Ca -0.00 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 2ksy h LEU 110 Cb 0.53 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.54 2ksy h LEU 110 CO 0.03 0.87 -0.14 0.00 -0.34 0.00 0.00 178.44 178.86 2ksy h ALA 111 N 1.13 -0.38 -0.21 1.25 0.00 -0.50 -1.97 119.26 118.57 2ksy h ALA 111 Ca -0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2ksy h ALA 111 Cb 1.44 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 2ksy h ALA 111 CO 0.11 -0.54 0.11 0.78 0.00 0.00 0.00 179.25 179.71 2ksy h GLY 112 N -0.72 0.33 0.06 0.00 0.00 -1.59 0.41 103.07 101.56 2ksy h GLY 112 Ca -0.04 -0.16 0.03 0.00 0.00 0.00 0.00 47.33 47.17 2ksy h GLY 112 CO 0.06 0.15 -0.46 -2.75 0.00 0.00 0.00 176.54 173.55 2ksy h PHE 113 N 0.22 -1.32 0.00 5.60 3.57 -1.47 0.45 116.94 124.00 2ksy h PHE 113 Ca 0.07 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.62 2ksy h PHE 113 Cb 0.10 0.58 0.00 0.00 2.79 0.00 0.00 35.95 39.42 2ksy h PHE 113 CO -0.03 -0.52 0.00 0.00 -2.23 0.00 0.00 178.31 175.54 2ksy h ALA 114 N -0.11 1.00 -0.13 2.41 0.00 -1.31 -3.19 119.26 117.94 2ksy h ALA 114 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2ksy h ALA 114 Cb 0.67 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2ksy h ALA 114 CO -0.36 0.00 0.08 0.78 0.00 0.00 0.00 179.25 179.75 2ksy h GLY 115 N 2.58 0.18 2.00 0.00 0.00 0.21 -2.35 103.07 105.70 2ksy h GLY 115 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.26 2ksy h GLY 115 CO 0.00 0.07 0.00 0.00 0.00 0.00 0.00 176.54 176.61 2ksy h ALA 116 N 1.03 1.00 -0.35 3.60 0.00 -1.46 -3.12 119.26 119.97 2ksy h ALA 116 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2ksy h ALA 116 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2ksy h ALA 116 CO -0.01 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 177.91 2ksy n MET 117 N -2.31 2.38 -2.90 0.00 2.00 -0.90 -4.92 117.12 110.48 2ksy n MET 117 Ca 0.05 -1.49 -0.37 0.00 0.00 0.00 0.00 57.70 55.88 2ksy n MET 117 Cb 0.39 -1.56 -0.06 0.00 0.00 0.00 0.00 33.22 31.99 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 -1.67 4.33 -2.40 2.03 -7.23 -1.13 -4.97 120.40 109.36 2ksy s VAL 118 Ca 0.27 1.66 0.26 0.00 -1.81 0.00 0.00 61.98 62.37 2ksy s VAL 118 Cb 0.17 -4.00 0.37 0.00 0.56 0.00 0.00 36.38 33.48 2ksy s VAL 118 CO 0.13 0.22 1.55 -0.81 -0.31 0.00 0.00 175.10 175.89 2ksy n PRO 119 N 0.77 1.58 0.00 4.82 -0.04 -1.26 -4.91 135.00 135.95 2ksy n PRO 119 Ca -0.00 -1.06 0.00 0.00 -0.04 0.00 0.00 63.50 62.40 2ksy n PRO 119 Cb 0.50 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 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 1.27 3.47 0.06 0.55 0.00 -1.26 -5.05 105.19 104.23 2ksy n GLY 120 Ca 0.16 -0.45 0.02 0.00 0.00 0.00 0.00 46.02 45.75 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 0.89 0.30 -0.61 -5.35 -1.26 -4.74 119.36 108.59 2ksy n ILE 121 Ca 0.00 -0.97 0.20 0.00 -0.27 0.00 0.00 62.75 61.71 2ksy n ILE 121 Cb 0.00 0.45 1.03 0.00 -1.74 0.00 0.00 39.64 39.37 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 4.39 -1.94 -2.70 114.58 119.61 2ksy h GLU 122 Ca 0.00 0.00 0.21 0.00 0.34 0.00 0.00 59.36 59.91 2ksy h GLU 122 Cb 0.80 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.35 2ksy h GLU 122 CO 0.00 0.00 0.62 0.07 -1.16 0.00 0.00 179.01 178.54 2ksy h ARG 123 N 0.00 0.59 -0.24 2.33 0.11 -1.85 0.17 114.38 115.48 2ksy h ARG 123 Ca 0.00 -0.04 -0.06 0.00 0.10 0.00 0.00 59.98 59.98 2ksy h ARG 123 Cb 0.06 -0.13 -0.01 0.00 1.11 0.00 0.00 29.97 30.99 2ksy h ARG 123 CO 0.00 0.39 -0.11 1.88 0.10 0.00 0.00 179.97 182.23 2ksy h TYR 124 N 0.60 0.42 0.25 4.08 0.05 -1.83 -2.05 116.97 118.50 2ksy h TYR 124 Ca 0.57 -0.05 -0.01 0.00 0.05 0.00 0.00 58.73 59.28 2ksy h TYR 124 Cb 1.11 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 38.73 2ksy h TYR 124 CO -0.00 0.51 -0.12 0.00 -1.05 0.00 0.00 178.16 177.49 2ksy h ALA 125 N 1.52 -0.33 -0.25 3.88 0.00 -0.89 -1.25 119.26 121.94 2ksy h ALA 125 Ca 0.07 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.85 2ksy h ALA 125 Cb 0.43 0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 2ksy h ALA 125 CO 0.02 -0.39 -0.20 -0.07 0.00 0.00 0.00 179.25 178.62 2ksy h LEU 126 N -0.93 -0.65 -0.95 0.00 3.38 -1.37 -1.23 115.31 113.56 2ksy h LEU 126 Ca -0.03 0.13 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 2ksy h LEU 126 Cb 0.49 0.32 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 2ksy h LEU 126 CO 0.06 -0.24 0.14 0.15 0.09 0.00 0.00 178.44 178.63 2ksy h PHE 127 N -0.20 0.93 -0.85 1.13 3.57 -1.48 -2.52 116.94 117.52 2ksy h PHE 127 Ca 0.14 -0.09 0.22 0.00 3.53 0.00 0.00 57.97 61.76 2ksy h PHE 127 Cb 0.41 -0.27 -0.13 0.00 2.79 0.00 0.00 35.95 38.74 2ksy h PHE 127 CO -0.37 0.78 0.24 0.78 -2.23 0.00 0.00 178.31 177.51 2ksy h GLY 128 N 1.00 1.31 1.40 2.40 0.00 0.01 0.78 103.07 109.96 2ksy h GLY 128 Ca 0.19 -0.04 -0.16 0.00 0.00 0.00 0.00 47.33 47.32 2ksy h GLY 128 CO -0.00 -0.32 -0.49 1.98 0.00 0.00 0.00 176.54 177.71 2ksy h MET 129 N 0.24 0.64 0.00 4.80 1.85 -1.17 -2.86 114.93 118.43 2ksy h MET 129 Ca 0.52 -0.37 -0.06 0.00 -0.61 0.00 0.00 59.70 59.18 2ksy h MET 129 Cb 1.02 0.03 -0.01 0.00 0.43 0.00 0.00 31.60 33.07 2ksy h MET 129 CO -0.62 0.99 -0.30 0.78 -0.40 0.00 0.00 176.91 177.36 2ksy h GLY 130 N 0.98 0.00 0.27 1.39 0.00 0.59 -0.91 103.07 105.39 2ksy h GLY 130 Ca 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.35 2ksy h GLY 130 CO 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 176.54 176.59 2ksy h ALA 131 N 1.70 -0.13 -1.00 3.60 0.00 0.35 0.13 119.26 123.90 2ksy h ALA 131 Ca -0.00 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.68 2ksy h ALA 131 Cb 0.67 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.45 2ksy h ALA 131 CO 0.04 -0.21 0.66 0.28 0.00 0.00 0.00 179.25 180.02 2ksy h VAL 132 N -0.86 1.17 -0.30 0.00 2.07 -1.51 -0.93 116.25 115.87 2ksy h VAL 132 Ca -0.01 -0.43 -0.09 0.00 0.82 0.00 0.00 66.70 66.98 2ksy h VAL 132 Cb 0.57 -0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 2ksy h VAL 132 CO 0.02 0.23 -0.20 0.00 0.02 0.00 0.00 177.57 177.64 2ksy h ALA 133 N 1.42 1.09 0.19 1.67 0.00 -1.20 -2.60 119.26 119.83 2ksy h ALA 133 Ca 0.40 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 55.00 2ksy h ALA 133 Cb 0.02 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 2ksy h ALA 133 CO -0.13 0.56 -0.37 0.35 0.00 0.00 0.00 179.25 179.66 2ksy h PHE 134 N 0.51 -1.01 -0.56 0.00 3.57 0.67 -0.56 116.94 119.56 2ksy h PHE 134 Ca 0.08 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.69 2ksy h PHE 134 Cb 0.63 0.42 -0.03 0.00 2.79 0.00 0.00 35.95 39.75 2ksy h PHE 134 CO 0.02 -0.49 0.38 0.82 -2.23 0.00 0.00 178.31 176.82 2ksy h ILE 135 N -0.65 0.91 -0.61 1.41 2.04 -1.39 0.84 117.51 120.06 2ksy h ILE 135 Ca 0.01 -0.13 0.01 0.00 1.00 0.00 0.00 64.86 65.75 2ksy h ILE 135 Cb 0.64 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 2ksy h ILE 135 CO -0.17 0.07 0.40 1.23 0.00 0.00 0.00 178.15 179.69 2ksy h GLY 136 N 0.39 0.85 0.46 5.37 0.00 -0.74 0.11 103.07 109.52 2ksy h GLY 136 Ca 0.26 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 2ksy h GLY 136 CO -0.07 0.31 -0.12 -2.00 0.00 0.00 0.00 176.54 174.66 2ksy h LEU 137 N 0.81 -0.29 -1.97 3.11 5.85 0.04 -2.59 115.31 120.27 2ksy h LEU 137 Ca 0.23 -0.23 0.15 0.00 0.84 0.00 0.00 57.88 58.86 2ksy h LEU 137 Cb -0.08 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 2ksy h LEU 137 CO -0.05 0.19 0.38 -0.37 -0.34 0.00 0.00 178.44 178.24 2ksy h VAL 138 N -0.89 0.75 -0.54 1.05 -1.51 -1.26 0.32 116.25 114.17 2ksy h VAL 138 Ca -0.04 -0.01 -0.02 0.00 -1.23 0.00 0.00 66.70 65.40 2ksy h VAL 138 Cb 0.51 0.72 -0.02 0.00 -2.13 0.00 0.00 31.29 30.36 2ksy h VAL 138 CO 0.06 0.01 0.26 0.22 -1.23 0.00 0.00 177.57 176.88 2ksy h TYR 139 N 0.03 0.79 -0.30 5.19 3.20 -0.68 -2.15 116.97 123.04 2ksy h TYR 139 Ca 0.25 -0.04 -0.07 0.00 3.14 0.00 0.00 58.73 62.01 2ksy h TYR 139 Cb 0.96 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.98 2ksy h TYR 139 CO -0.00 0.62 -0.08 1.88 -1.64 0.00 0.00 178.16 178.94 2ksy h TYR 140 N 0.73 0.66 -0.63 -3.82 0.05 -0.03 0.43 116.97 114.36 2ksy h TYR 140 Ca 0.19 -0.14 0.14 0.00 0.05 0.00 0.00 58.73 58.96 2ksy h TYR 140 Cb 0.13 -0.16 -0.04 0.00 1.01 0.00 0.00 36.73 37.67 2ksy h TYR 140 CO -0.00 0.78 0.43 -0.07 -1.05 0.00 0.00 178.16 178.25 2ksy h LEU 141 N 0.35 0.24 0.00 3.88 4.07 -0.97 0.13 115.31 123.02 2ksy h LEU 141 Ca 0.08 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.05 2ksy h LEU 141 Cb 0.57 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.27 2ksy h LEU 141 CO 0.03 0.13 -0.95 0.55 -1.08 0.00 0.00 178.44 177.13 2ksy n VAL 142 N -4.44 0.00 0.00 1.22 3.14 -0.83 -4.07 118.33 113.35 2ksy n VAL 142 Ca 0.11 -0.04 0.00 0.00 -2.96 0.00 0.00 64.34 61.45 2ksy n VAL 142 Cb 0.51 0.98 0.00 0.00 -1.06 0.00 0.00 33.84 34.27 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 1.46 0.02 0.37 7.55 0.00 0.15 -4.46 105.19 110.28 2ksy n GLY 143 Ca 0.04 -0.74 0.19 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.86 1.61 0.11 -1.85 -1.53 132.00 129.47 2ksy h PRO 144 Ca 0.00 0.00 0.07 0.00 0.11 0.00 0.00 66.00 66.18 2ksy h PRO 144 Cb 0.00 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.05 2ksy h PRO 144 CO 0.00 0.00 0.56 0.52 -0.21 0.00 0.00 178.00 178.87 2ksy h MET 145 N 0.00 0.92 -0.06 1.05 2.86 -1.82 0.97 114.93 118.85 2ksy h MET 145 Ca 0.13 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 2ksy h MET 145 Cb 0.92 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 32.37 2ksy h MET 145 CO -0.00 0.61 0.01 1.79 1.06 0.00 0.00 176.91 180.38 2ksy h THR 146 N 0.95 1.22 0.00 2.22 1.35 -1.42 -2.42 112.91 114.82 2ksy h THR 146 Ca 0.37 -0.68 -0.07 0.00 -0.55 0.00 0.00 66.41 65.49 2ksy h THR 146 Cb 0.23 1.56 -0.01 0.00 -1.73 0.00 0.00 68.15 68.20 2ksy h THR 146 CO -0.14 0.19 -0.31 -0.33 -0.25 0.00 0.00 175.52 174.68 2ksy h GLU 147 N -0.15 0.00 -0.17 4.72 5.08 -1.60 -1.11 114.58 121.35 2ksy h GLU 147 Ca 0.02 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 2ksy h GLU 147 Cb 0.29 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 2ksy h GLU 147 CO 0.00 0.31 -0.11 1.03 -1.00 0.00 0.00 179.01 179.24 2ksy h SER 148 N 0.00 0.38 0.74 1.42 0.87 -0.68 -3.08 113.55 113.20 2ksy h SER 148 Ca -0.00 -0.44 -0.22 0.00 -1.23 0.00 0.00 61.79 59.90 2ksy h SER 148 Cb 0.81 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.65 2ksy h SER 148 CO 0.04 0.74 -0.99 0.00 -0.53 0.00 0.00 176.83 176.09 2ksy h ALA 149 N 0.66 0.39 0.00 6.23 0.00 -1.40 -3.19 119.26 121.94 2ksy h ALA 149 Ca 0.03 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 54.13 2ksy h ALA 149 Cb 0.61 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2ksy h ALA 149 CO 0.03 1.04 0.00 0.45 0.00 0.00 0.00 179.25 180.77 2ksy n SER 150 N -3.53 0.61 -0.85 0.00 2.88 -0.42 -1.33 113.62 110.98 2ksy n SER 150 Ca -0.03 0.74 0.08 0.00 -1.33 0.00 0.00 58.87 58.32 2ksy n SER 150 Cb 0.89 -0.83 0.23 0.00 -0.75 0.00 0.00 64.21 63.75 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 -2.26 2.95 -0.12 -1.46 10.64 -1.17 -4.62 117.38 121.34 2ksy n GLN 151 Ca -0.00 -2.63 -0.24 0.00 -1.83 0.00 0.00 57.00 52.30 2ksy n GLN 151 Cb 0.09 -1.70 -0.08 0.00 -0.86 0.00 0.00 30.24 27.69 2ksy n GLN 151 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 2ksy n ARG 152 N -0.20 0.57 -3.88 2.61 5.12 -0.44 -5.08 116.66 115.35 2ksy n ARG 152 Ca 0.19 0.29 -0.08 0.00 -1.93 0.00 0.00 57.85 56.32 2ksy n ARG 152 Cb 0.77 -1.51 -0.02 0.00 -1.16 0.00 0.00 32.46 30.54 2ksy n ARG 152 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2ksy s SER 153 N -7.04 -0.13 0.14 0.55 0.15 -1.25 -5.01 113.70 101.12 2ksy s SER 153 Ca -0.35 -0.81 -0.08 0.00 0.70 0.00 0.00 55.95 55.40 2ksy s SER 153 Cb 0.11 0.73 -0.03 0.00 -1.71 0.00 0.00 66.02 65.12 2ksy s SER 153 CO 0.48 -1.38 1.42 -1.28 1.20 0.00 0.00 173.24 173.67 2ksy h SER 154 N 2.05 0.82 0.24 5.45 0.87 -1.92 -3.22 113.55 117.84 2ksy h SER 154 Ca -0.23 -0.47 -0.26 0.00 -1.23 0.00 0.00 61.79 59.59 2ksy h SER 154 Cb 1.25 -0.24 0.01 0.00 -0.44 0.00 0.00 62.40 62.99 2ksy h SER 154 CO 0.29 1.24 -1.08 1.23 -0.53 0.00 0.00 176.83 177.99 2ksy h GLY 155 N 0.83 0.58 0.24 5.77 0.00 -1.97 -3.27 103.07 105.24 2ksy h GLY 155 Ca -0.01 -1.11 0.17 0.00 0.00 0.00 0.00 47.33 46.39 2ksy h GLY 155 CO 0.13 0.98 0.62 -2.22 0.00 0.00 0.00 176.54 176.04 2ksy h ILE 156 N 0.26 0.77 -0.18 2.60 1.08 -1.87 0.94 117.51 121.11 2ksy h ILE 156 Ca -0.13 -0.28 -0.13 0.00 -0.39 0.00 0.00 64.86 63.93 2ksy h ILE 156 Cb 1.74 -0.13 -0.01 0.00 -3.07 0.00 0.00 36.82 35.35 2ksy h ILE 156 CO 0.20 0.15 -0.43 0.50 -0.69 0.00 0.00 178.15 177.88 2ksy h LYS 157 N 0.82 0.44 -0.23 2.37 3.64 -1.62 -1.64 116.57 120.34 2ksy h LYS 157 Ca 0.55 -0.23 -0.20 0.00 -1.27 0.00 0.00 60.65 59.50 2ksy h LYS 157 Cb 0.79 0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.62 2ksy h LYS 157 CO -0.34 0.79 -0.65 1.03 -2.27 0.00 0.00 179.45 178.01 2ksy h SER 158 N 0.36 0.97 0.19 4.20 0.87 -0.96 -2.46 113.55 116.72 2ksy h SER 158 Ca 0.03 -0.57 -0.17 0.00 -1.23 0.00 0.00 61.79 59.84 2ksy h SER 158 Cb 0.91 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.58 2ksy h SER 158 CO 0.08 1.38 -0.66 -0.07 -0.53 0.00 0.00 176.83 177.02 2ksy h LEU 159 N 0.62 0.50 -0.27 2.23 3.38 -0.96 -2.79 115.31 118.03 2ksy h LEU 159 Ca -0.02 -0.31 -0.13 0.00 0.09 0.00 0.00 57.88 57.52 2ksy h LEU 159 Cb 1.27 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 2ksy h LEU 159 CO 0.14 1.03 -0.34 0.22 0.09 0.00 0.00 178.44 179.57 2ksy h TYR 160 N 0.31 0.86 -0.42 1.13 3.20 -1.31 -0.49 116.97 120.25 2ksy h TYR 160 Ca -0.02 -0.28 -0.05 0.00 3.14 0.00 0.00 58.73 61.53 2ksy h TYR 160 Cb 1.22 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 39.30 2ksy h TYR 160 CO 0.04 1.04 0.08 -0.39 -1.64 0.00 0.00 178.16 177.29 2ksy h VAL 161 N 0.44 1.24 -0.15 1.81 -1.51 -1.48 -0.05 116.25 116.56 2ksy h VAL 161 Ca 0.03 -0.86 -0.05 0.00 -1.23 0.00 0.00 66.70 64.59 2ksy h VAL 161 Cb 0.93 0.99 -0.00 0.00 -2.13 0.00 0.00 31.29 31.08 2ksy h VAL 161 CO 0.08 0.30 -0.12 0.03 -1.23 0.00 0.00 177.57 176.63 2ksy h ARG 162 N 0.55 0.34 0.45 5.19 2.47 -1.52 -2.35 114.38 119.50 2ksy h ARG 162 Ca 0.13 -0.17 -0.02 0.00 -1.26 0.00 0.00 59.98 58.66 2ksy h ARG 162 Cb 0.36 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.69 2ksy h ARG 162 CO 0.01 0.70 -0.21 -0.07 0.56 0.00 0.00 179.97 180.95 2ksy h LEU 163 N -0.02 -0.51 -0.26 3.04 4.07 -1.06 -2.81 115.31 117.76 2ksy h LEU 163 Ca 0.03 -0.03 0.02 0.00 0.08 0.00 0.00 57.88 57.98 2ksy h LEU 163 Cb 0.63 0.13 -0.03 0.00 1.08 0.00 0.00 40.66 42.47 2ksy h LEU 163 CO 0.03 -0.29 0.10 -0.09 -1.08 0.00 0.00 178.44 177.10 2ksy h ARG 164 N -0.69 0.21 -0.30 1.13 2.43 -1.09 0.40 114.38 116.47 2ksy h ARG 164 Ca -0.06 -0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.16 2ksy h ARG 164 Cb 0.51 -0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 29.94 2ksy h ARG 164 CO 0.10 0.14 -0.16 -0.91 -1.51 0.00 0.00 179.97 177.64 2ksy h ASN 165 N 0.22 -0.52 -0.57 -3.80 -0.26 -1.43 0.31 115.58 109.53 2ksy h ASN 165 Ca 0.11 0.12 -0.07 0.00 -0.56 0.00 0.00 56.30 55.90 2ksy h ASN 165 Cb 0.07 0.28 -0.02 0.00 -1.06 0.00 0.00 38.32 37.59 2ksy h ASN 165 CO -0.11 -0.19 0.07 0.25 -1.06 0.00 0.00 177.43 176.39 2ksy h LEU 166 N -0.12 0.92 0.31 1.61 6.46 -1.27 -2.82 115.31 120.40 2ksy h LEU 166 Ca 0.16 -0.27 -0.02 0.00 -0.12 0.00 0.00 57.88 57.63 2ksy h LEU 166 Cb 0.35 -0.24 0.00 0.00 -0.73 0.00 0.00 40.66 40.04 2ksy h LEU 166 CO -0.37 0.96 -0.15 0.74 -0.62 0.00 0.00 178.44 179.00 2ksy h THR 167 N 0.85 0.71 -0.97 1.05 2.02 -0.10 -2.84 112.91 113.63 2ksy h THR 167 Ca 0.17 -0.46 0.12 0.00 0.77 0.00 0.00 66.41 67.01 2ksy h THR 167 Cb 0.44 0.96 -0.08 0.00 -1.74 0.00 0.00 68.15 67.72 2ksy h THR 167 CO 0.01 0.09 0.60 1.62 0.37 0.00 0.00 175.52 178.22 2ksy h VAL 168 N -0.68 0.90 0.49 3.16 3.04 -0.46 0.15 116.25 122.85 2ksy h VAL 168 Ca -0.04 -0.32 -0.02 0.00 -1.01 0.00 0.00 66.70 65.30 2ksy h VAL 168 Cb 0.47 -0.13 0.00 0.00 -2.01 0.00 0.00 31.29 29.63 2ksy h VAL 168 CO 0.07 0.17 -0.24 0.58 -1.01 0.00 0.00 177.57 177.14 2ksy h VAL 169 N 0.95 0.00 0.00 1.51 2.07 -1.45 -0.42 116.25 118.90 2ksy h VAL 169 Ca 0.49 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.98 2ksy h VAL 169 Cb 0.49 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.26 2ksy h VAL 169 CO -0.27 0.00 -0.10 0.17 0.02 0.00 0.00 177.57 177.39 2ksy h LEU 170 N -0.66 0.00 -0.54 2.57 8.10 -1.36 -1.84 115.31 121.57 2ksy h LEU 170 Ca -0.07 0.00 -0.16 0.00 0.11 0.00 0.00 57.88 57.76 2ksy h LEU 170 Cb 0.51 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.72 2ksy h LEU 170 CO 0.10 0.10 -0.69 -0.50 -4.11 0.00 0.00 178.44 173.34 2ksy h TRP 171 N 0.00 0.27 0.00 0.17 4.06 -0.60 -2.58 115.95 117.27 2ksy h TRP 171 Ca -0.00 -0.12 0.00 0.00 2.06 0.00 0.00 58.89 60.83 2ksy h TRP 171 Cb 0.22 -0.04 0.00 0.00 -1.00 0.00 0.00 29.16 28.33 2ksy h TRP 171 CO 0.00 0.83 0.00 0.00 -3.56 0.00 0.00 178.44 175.71 2ksy n ALA 172 N -2.46 1.63 0.07 1.49 0.00 -0.18 -2.14 120.51 118.92 2ksy n ALA 172 Ca -0.03 -0.05 -0.18 0.00 0.00 0.00 0.00 53.44 53.19 2ksy n ALA 172 Cb 0.68 -1.19 -0.14 0.00 0.00 0.00 0.00 19.45 18.79 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 1.15 -0.09 0.00 1.08 -1.45 -3.35 117.51 114.84 2ksy h ILE 173 Ca 0.00 -2.77 0.03 0.00 -0.39 0.00 0.00 64.86 61.73 2ksy h ILE 173 Cb 0.15 2.77 -0.04 0.00 -3.07 0.00 0.00 36.82 36.64 2ksy h ILE 173 CO 0.00 0.82 -0.13 1.88 -0.69 0.00 0.00 178.15 180.03 2ksy h TYR 174 N 0.07 -0.33 -0.89 1.37 -1.99 -1.51 0.32 116.97 114.01 2ksy h TYR 174 Ca -0.25 0.02 0.01 0.00 2.00 0.00 0.00 58.73 60.50 2ksy h TYR 174 Cb 2.03 0.16 -0.04 0.00 2.00 0.00 0.00 36.73 40.88 2ksy h TYR 174 CO 0.07 -0.20 0.58 -1.00 -0.00 0.00 0.00 178.16 177.61 2ksy h PRO 175 N -0.18 1.17 0.20 4.88 0.13 -1.73 -0.51 132.00 135.96 2ksy h PRO 175 Ca 0.08 -0.08 -0.31 0.00 -0.87 0.00 0.00 66.00 64.82 2ksy h PRO 175 Cb 0.29 -0.26 0.02 0.00 0.13 0.00 0.00 31.00 31.18 2ksy h PRO 175 CO -0.20 0.79 -1.37 0.27 -0.23 0.00 0.00 178.00 177.26 2ksy h PHE 176 N 1.21 0.79 -0.21 1.56 -5.15 -1.63 -3.16 116.94 110.34 2ksy h PHE 176 Ca 0.32 -0.57 -0.01 0.00 -0.20 0.00 0.00 57.97 57.51 2ksy h PHE 176 Cb -0.12 -0.03 -0.01 0.00 0.22 0.00 0.00 35.95 36.01 2ksy h PHE 176 CO -0.01 1.44 0.07 0.82 -2.00 0.00 0.00 178.31 178.63 2ksy h ILE 177 N 0.13 1.18 -0.68 0.88 1.08 -0.27 -2.00 117.51 117.82 2ksy h ILE 177 Ca -0.20 -0.56 0.20 0.00 -0.39 0.00 0.00 64.86 63.91 2ksy h ILE 177 Cb 2.07 1.17 -0.03 0.00 -3.07 0.00 0.00 36.82 36.96 2ksy h ILE 177 CO 0.24 0.18 0.50 -0.25 -0.69 0.00 0.00 178.15 178.14 2ksy h TRP 178 N 0.17 0.00 -0.15 1.37 7.01 -1.18 0.32 115.95 123.49 2ksy h TRP 178 Ca 0.07 0.00 -0.19 0.00 2.11 0.00 0.00 58.89 60.87 2ksy h TRP 178 Cb 0.21 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.27 2ksy h TRP 178 CO -0.00 0.00 -0.69 1.25 -2.79 0.00 0.00 178.44 176.21 2ksy h LEU 179 N 0.00 0.73 0.02 0.65 7.12 -1.33 -2.58 115.31 119.91 2ksy h LEU 179 Ca 0.32 -0.45 -0.00 0.00 0.13 0.00 0.00 57.88 57.88 2ksy h LEU 179 Cb 1.33 -0.21 0.00 0.00 -0.53 0.00 0.00 40.66 41.25 2ksy h LEU 179 CO -0.00 1.21 -0.01 -0.07 -0.13 0.00 0.00 178.44 179.44 2ksy h LEU 180 N 0.45 -0.02 -9.52 2.25 3.38 -0.09 0.12 115.31 111.88 2ksy h LEU 180 Ca -0.03 -0.75 -0.41 0.00 0.09 0.00 0.00 57.88 56.78 2ksy h LEU 180 Cb 1.28 0.00 0.22 0.00 0.09 0.00 0.00 40.66 42.25 2ksy h LEU 180 CO 0.13 0.82 -1.03 0.61 0.09 0.00 0.00 178.44 179.06 2ksy n GLY 181 N 1.40 -2.57 0.32 0.83 0.00 0.34 -0.02 105.19 105.49 2ksy n GLY 181 Ca -0.08 -0.77 0.09 0.00 0.00 0.00 0.00 46.02 45.25 2ksy n GLY 181 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ksy h PRO 182 N -2.17 0.04 -0.99 1.61 0.13 -1.88 0.10 132.00 128.84 2ksy h PRO 182 Ca -0.47 -0.00 0.29 0.00 -0.87 0.00 0.00 66.00 64.94 2ksy h PRO 182 Cb 1.26 -0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.34 2ksy h PRO 182 CO 0.33 0.03 0.72 -1.00 -0.23 0.00 0.00 178.00 177.84 2ksy h PRO 183 N 0.04 0.00 0.00 1.56 0.13 -1.88 -3.36 132.00 128.49 2ksy h PRO 183 Ca 0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.63 2ksy h PRO 183 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 2ksy h PRO 183 CO -0.85 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 177.33 2ksy n GLY 184 N -1.73 0.44 0.49 1.56 0.00 0.29 -4.68 105.19 101.56 2ksy n GLY 184 Ca 0.21 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.29 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 -2.92 1.61 0.24 0.03 -5.01 118.33 112.28 2ksy n VAL 185 Ca 0.00 -0.49 -0.08 0.00 -2.04 0.00 0.00 64.34 61.73 2ksy n VAL 185 Cb 0.00 1.26 0.01 0.00 -1.47 0.00 0.00 33.84 33.63 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 0.64 -2.99 -0.11 2.33 0.00 0.41 -4.95 120.51 115.84 2ksy n ALA 186 Ca 0.07 0.69 -0.24 0.00 0.00 0.00 0.00 53.44 53.97 2ksy n ALA 186 Cb 0.31 -2.20 -0.11 0.00 0.00 0.00 0.00 19.45 17.45 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 0.27 1.93 0.00 0.00 4.77 0.97 -4.92 117.00 120.03 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 0.32 -0.94 0.00 0.00 -2.33 0.00 0.00 43.42 40.47 2ksy n LEU 187 CO 0.42 0.38 0.00 0.18 -1.33 0.00 0.00 177.39 177.04 2ksy n LEU 188 N -4.34 0.00 -4.77 2.23 4.77 -1.26 -5.09 117.00 108.54 2ksy n LEU 188 Ca -0.38 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.22 2ksy n LEU 188 Cb 0.75 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.78 2ksy n LEU 188 CO 0.16 -0.03 0.32 -0.89 -1.33 0.00 0.00 177.39 175.63 2ksy s THR 189 N 1.79 4.80 0.22 -5.08 2.01 -1.26 -4.84 115.64 113.28 2ksy s THR 189 Ca 0.00 1.32 -0.12 0.00 0.31 0.00 0.00 61.69 63.20 2ksy s THR 189 Cb 0.00 -3.96 0.26 0.00 0.01 0.00 0.00 72.50 68.81 2ksy s THR 189 CO 0.00 0.46 1.62 -0.65 -0.69 0.00 0.00 174.62 175.36 2ksy h PRO 190 N 5.25 0.01 -0.52 4.92 0.11 -1.99 0.77 132.00 140.55 2ksy h PRO 190 Ca -0.46 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 2ksy h PRO 190 Cb 1.21 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 2ksy h PRO 190 CO 0.68 0.01 0.26 0.00 -0.21 0.00 0.00 178.00 178.74 2ksy h THR 191 N 0.01 1.17 -0.08 -1.15 1.03 -1.99 -1.63 112.91 110.27 2ksy h THR 191 Ca 0.33 -0.46 -0.06 0.00 -0.01 0.00 0.00 66.41 66.22 2ksy h THR 191 Cb 0.52 0.50 0.00 0.00 -1.07 0.00 0.00 68.15 68.09 2ksy h THR 191 CO -0.69 0.19 -0.16 0.58 -0.01 0.00 0.00 175.52 175.43 2ksy h VAL 192 N 0.72 1.40 -0.63 0.00 2.07 -1.34 -2.41 116.25 116.07 2ksy h VAL 192 Ca 0.18 -1.46 0.02 0.00 0.82 0.00 0.00 66.70 66.26 2ksy h VAL 192 Cb 0.06 2.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.95 2ksy h VAL 192 CO -0.03 0.41 0.39 -0.78 0.02 0.00 0.00 177.57 177.59 2ksy h ASP 193 N -0.21 0.65 -0.61 0.57 3.58 -0.83 -2.08 116.42 117.49 2ksy h ASP 193 Ca 0.00 -0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.41 2ksy h ASP 193 Cb 0.75 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 41.63 2ksy h ASP 193 CO 0.04 0.46 0.23 0.58 -2.88 0.00 0.00 179.24 177.66 2ksy h VAL 194 N 0.78 1.23 -0.44 2.25 2.07 -1.33 -2.07 116.25 118.75 2ksy h VAL 194 Ca 0.25 -0.77 0.04 0.00 0.82 0.00 0.00 66.70 67.04 2ksy h VAL 194 Cb -0.00 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.22 2ksy h VAL 194 CO -0.09 0.30 0.20 0.00 0.02 0.00 0.00 177.57 178.00 2ksy h ALA 195 N 1.31 0.54 -0.18 1.67 0.00 -0.85 0.71 119.26 122.47 2ksy h ALA 195 Ca 0.22 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.06 2ksy h ALA 195 Cb 0.22 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2ksy h ALA 195 CO -0.01 -0.16 -0.31 -0.07 0.00 0.00 0.00 179.25 178.69 2ksy h LEU 196 N 0.41 0.36 0.04 0.00 3.38 -1.23 -1.86 115.31 116.40 2ksy h LEU 196 Ca 0.19 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 2ksy h LEU 196 Cb 0.13 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2ksy h LEU 196 CO -0.15 0.66 -0.02 0.40 0.09 0.00 0.00 178.44 179.42 2ksy h ILE 197 N 0.31 1.13 -0.61 1.22 1.08 -0.62 0.18 117.51 120.20 2ksy h ILE 197 Ca 0.04 -0.52 0.09 0.00 -0.39 0.00 0.00 64.86 64.08 2ksy h ILE 197 Cb 0.71 1.47 -0.04 0.00 -3.07 0.00 0.00 36.82 35.89 2ksy h ILE 197 CO 0.05 0.13 0.40 0.58 -0.69 0.00 0.00 178.15 178.63 2ksy h VAL 198 N -0.28 0.92 -0.30 1.67 2.07 -0.79 -0.47 116.25 119.08 2ksy h VAL 198 Ca -0.01 -0.16 -0.09 0.00 0.82 0.00 0.00 66.70 67.27 2ksy h VAL 198 Cb 0.26 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 2ksy h VAL 198 CO 0.01 0.09 -0.15 0.22 0.02 0.00 0.00 177.57 177.76 2ksy h TYR 199 N 0.47 0.73 0.26 1.57 3.20 -0.79 -0.64 116.97 121.77 2ksy h TYR 199 Ca 0.28 -0.18 0.00 0.00 3.14 0.00 0.00 58.73 61.97 2ksy h TYR 199 Cb 0.47 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 2ksy h TYR 199 CO -0.00 0.86 -0.28 -0.07 -1.64 0.00 0.00 178.16 177.03 2ksy h LEU 200 N 0.38 -0.75 -0.86 2.82 3.38 0.96 0.52 115.31 121.76 2ksy h LEU 200 Ca 0.07 0.07 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 2ksy h LEU 200 Cb 0.67 0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 2ksy h LEU 200 CO 0.04 -0.39 0.07 0.44 0.09 0.00 0.00 178.44 178.70 2ksy h ASP 201 N -0.57 0.88 0.35 -0.43 3.32 -1.38 -2.36 116.42 116.23 2ksy h ASP 201 Ca -0.00 -0.20 -0.03 0.00 0.02 0.00 0.00 57.03 56.82 2ksy h ASP 201 Cb 0.53 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.85 2ksy h ASP 201 CO -0.07 0.90 -0.15 0.25 -1.72 0.00 0.00 179.24 178.44 2ksy h LEU 202 N 0.87 0.00 0.15 1.55 5.85 -0.73 -2.81 115.31 120.19 2ksy h LEU 202 Ca 0.18 0.00 -0.31 0.00 0.84 0.00 0.00 57.88 58.59 2ksy h LEU 202 Cb 0.41 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.44 2ksy h LEU 202 CO 0.01 0.15 -1.47 0.58 -0.34 0.00 0.00 178.44 177.38 2ksy h VAL 203 N 0.00 1.25 0.00 1.05 2.07 -0.40 -2.47 116.25 117.75 2ksy h VAL 203 Ca -0.00 -2.83 0.00 0.00 0.82 0.00 0.00 66.70 64.69 2ksy h VAL 203 Cb 0.37 2.85 0.00 0.00 -1.52 0.00 0.00 31.29 32.99 2ksy h VAL 203 CO 0.02 0.84 0.00 0.41 0.02 0.00 0.00 177.57 178.86 2ksy n THR 204 N -3.53 0.00 0.00 2.57 -1.04 -0.97 0.94 114.28 112.26 2ksy n THR 204 Ca -0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 2ksy n THR 204 Cb 1.05 -0.43 0.00 0.00 -1.82 0.00 0.00 70.33 69.13 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 -0.51 0.00 0.45 12.58 0.31 -0.93 -1.93 118.33 128.30 2ksy n VAL 206 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.14 2ksy n VAL 206 Cb 0.00 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 32.84 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 -1.17 0.63 2.92 0.00 0.42 0.26 103.07 106.13 2ksy h GLY 207 Ca 0.00 0.43 0.07 0.00 0.00 0.00 0.00 47.33 47.83 2ksy h GLY 207 CO 0.00 -0.43 0.34 -2.75 0.00 0.00 0.00 176.54 173.71 2ksy h PHE 208 N -1.12 0.63 -0.47 5.60 3.04 -1.34 0.83 116.94 124.11 2ksy h PHE 208 Ca -0.11 0.03 -0.09 0.00 3.98 0.00 0.00 57.97 61.77 2ksy h PHE 208 Cb 0.86 -0.19 -0.02 0.00 2.56 0.00 0.00 35.95 39.16 2ksy h PHE 208 CO -0.01 0.28 -0.09 0.78 -2.02 0.00 0.00 178.31 177.25 2ksy h GLY 209 N 0.63 0.90 0.90 2.40 0.00 -1.68 1.48 103.07 107.70 2ksy h GLY 209 Ca 0.30 -0.67 -0.09 0.00 0.00 0.00 0.00 47.33 46.86 2ksy h GLY 209 CO -0.20 0.62 -0.19 0.74 0.00 0.00 0.00 176.54 177.50 2ksy h PHE 210 N 0.76 0.71 0.00 5.60 0.04 0.03 0.48 116.94 124.55 2ksy h PHE 210 Ca 0.13 -0.20 -0.06 0.00 2.80 0.00 0.00 57.97 60.65 2ksy h PHE 210 Cb 0.58 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.57 2ksy h PHE 210 CO 0.03 0.88 -0.28 0.82 -0.60 0.00 0.00 178.31 179.17 2ksy h ILE 211 N 0.32 1.16 -0.22 -0.55 2.04 -0.65 -1.49 117.51 118.13 2ksy h ILE 211 Ca 0.05 -0.96 -0.12 0.00 1.00 0.00 0.00 64.86 64.83 2ksy h ILE 211 Cb 0.74 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 38.33 2ksy h ILE 211 CO 0.05 0.27 -0.37 0.00 0.00 0.00 0.00 178.15 178.10 2ksy h ALA 212 N 1.72 0.95 0.26 1.87 0.00 0.31 -2.05 119.26 122.32 2ksy h ALA 212 Ca -0.00 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 2ksy h ALA 212 Cb 0.50 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2ksy h ALA 212 CO 0.04 0.62 -0.13 -0.07 0.00 0.00 0.00 179.25 179.71 2ksy h LEU 213 N 0.41 -0.30 -2.29 0.00 3.38 0.89 -2.30 115.31 115.09 2ksy h LEU 213 Ca 0.04 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.79 2ksy h LEU 213 Cb 0.84 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 2ksy h LEU 213 CO 0.07 0.17 0.03 -0.78 0.09 0.00 0.00 178.44 178.02 2ksy h ASP 214 N -0.87 0.00 0.35 -0.43 3.58 -1.37 -0.45 116.42 117.23 2ksy h ASP 214 Ca -0.04 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.40 2ksy h ASP 214 Cb 0.51 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.57 2ksy h ASP 214 CO 0.06 0.00 -0.17 0.00 -2.88 0.00 0.00 179.24 176.25 2ksy h ALA 215 N 1.97 -0.47 -0.63 -0.78 0.00 -1.33 -2.52 119.26 115.50 2ksy h ALA 215 Ca 0.02 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 2ksy h ALA 215 Cb 0.08 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2ksy h ALA 215 CO -0.00 -0.49 0.24 0.00 0.00 0.00 0.00 179.25 179.00 2ksy h ALA 216 N -0.79 1.25 -0.71 0.00 0.00 -1.17 -2.39 119.26 115.46 2ksy h ALA 216 Ca -0.05 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.70 2ksy h ALA 216 Cb 0.49 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2ksy h ALA 216 CO 0.08 0.55 0.47 0.00 0.00 0.00 0.00 179.25 180.34 2ksy h ALA 217 N 1.37 0.90 -0.68 0.00 0.00 -1.17 -1.97 119.26 117.70 2ksy h ALA 217 Ca 0.21 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2ksy h ALA 217 Cb 0.18 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2ksy h ALA 217 CO -0.02 0.32 0.30 1.15 0.00 0.00 0.00 179.25 181.00 2ksy h THR 218 N 0.96 1.23 -0.48 0.00 2.02 -0.99 0.41 112.91 116.05 2ksy h THR 218 Ca 0.26 -0.68 0.05 0.00 0.77 0.00 0.00 66.41 66.81 2ksy h THR 218 Cb -0.11 0.38 -0.04 0.00 -1.74 0.00 0.00 68.15 66.64 2ksy h THR 218 CO -0.06 0.28 0.23 -0.07 0.37 0.00 0.00 175.52 176.27 2ksy h LEU 219 N 0.97 0.31 0.00 2.58 3.38 -0.89 -1.00 115.31 120.66 2ksy h LEU 219 Ca 0.23 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.24 2ksy h LEU 219 Cb 0.14 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2ksy h LEU 219 CO -0.03 0.22 -0.31 0.54 0.09 0.00 0.00 178.44 178.95 2ksy n ARG 220 N -4.92 0.21 0.21 1.13 3.00 -1.00 -3.61 116.66 111.67 2ksy n ARG 220 Ca 0.04 0.11 0.12 0.00 -0.01 0.00 0.00 57.85 58.11 2ksy n ARG 220 Cb 0.14 -1.69 0.15 0.00 0.00 0.00 0.00 32.46 31.07 2ksy n ARG 220 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2ksy h ALA 221 N 2.63 0.95 0.00 7.54 0.00 0.10 0.21 119.26 130.69 2ksy h ALA 221 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2ksy h ALA 221 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2ksy h ALA 221 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 179.25 178.40 2ksy n GLU 222 N -3.05 0.07 0.00 0.00 0.28 -0.50 -3.67 120.64 113.77 2ksy n GLU 222 Ca 0.04 0.08 0.00 0.00 -0.16 0.00 0.00 57.16 57.11 2ksy n GLU 222 Cb 0.53 -1.58 0.00 0.00 1.43 0.00 0.00 31.44 31.82 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 -1.70 0.00 1.28 -1.84 1.44 -1.21 -4.76 115.22 108.43 2ksy n HIS 223 Ca 0.06 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.90 2ksy n HIS 223 Cb 0.35 0.00 0.66 0.00 0.12 0.00 0.00 29.99 31.11 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 0.14 -1.01 3.71 -1.39 0.00 0.75 -4.75 105.19 102.64 2ksy n GLY 224 Ca 0.00 -0.13 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 2ksy n GLY 224 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2ksy s GLU 225 N -2.41 2.90 -0.03 1.61 -1.05 -1.26 -4.89 118.70 113.57 2ksy s GLU 225 Ca 0.27 -0.54 -0.03 0.00 -0.15 0.00 0.00 54.97 54.52 2ksy s GLU 225 Cb 0.17 -2.75 0.01 0.00 -0.44 0.00 0.00 34.13 31.12 2ksy s GLU 225 CO 0.35 0.64 0.06 0.43 0.95 0.00 0.00 175.26 177.70 2ksy n SER 226 N 1.44 -7.36 0.07 0.83 7.64 -1.26 -4.95 113.62 110.03 2ksy n SER 226 Ca -0.15 1.77 -0.17 0.00 1.01 0.00 0.00 58.87 61.33 2ksy n SER 226 Cb 0.53 -5.29 -0.14 0.00 -1.01 0.00 0.00 64.21 58.30 2ksy n SER 226 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2ksy h LEU 227 N 4.28 0.41 2.35 -3.43 4.07 -1.91 -3.48 115.31 117.60 2ksy h LEU 227 Ca -0.15 -0.56 -0.25 0.00 0.08 0.00 0.00 57.88 57.00 2ksy h LEU 227 Cb 0.33 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 41.92 2ksy h LEU 227 CO 0.00 1.46 -0.33 0.00 -1.08 0.00 0.00 178.44 178.50 2ksy n ALA 228 N -2.67 -0.82 0.00 1.53 0.00 -1.26 -4.77 120.51 112.52 2ksy n ALA 228 Ca -0.16 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2ksy n ALA 228 Cb 1.05 -1.62 0.00 0.00 0.00 0.00 0.00 19.45 18.87 2ksy n ALA 228 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ksy n GLY 229 N -0.84 -0.00 3.45 0.00 0.00 -1.26 -5.00 105.19 101.53 2ksy n GLY 229 Ca -0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.00 4.79 0.22 1.61 1.01 -1.26 -5.06 120.40 119.71 2ksy s VAL 230 Ca 0.00 -0.49 -0.32 0.00 0.00 0.00 0.00 61.98 61.17 2ksy s VAL 230 Cb 0.00 -3.51 -0.12 0.00 0.00 0.00 0.00 36.38 32.74 2ksy s VAL 230 CO 0.00 -0.04 1.65 -0.90 0.00 0.00 0.00 175.10 175.81 2ksy n ASP 231 N 5.02 3.75 -3.64 3.32 5.75 -1.26 -4.98 116.55 124.52 2ksy n ASP 231 Ca -0.13 1.09 -0.08 0.00 -0.01 0.00 0.00 54.79 55.66 2ksy n ASP 231 Cb 0.48 -1.55 -0.07 0.00 -1.03 0.00 0.00 41.12 38.96 2ksy n ASP 231 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 2ksy s THR 232 N 0.78 0.00 0.04 2.12 -1.32 -1.26 -5.18 115.64 110.82 2ksy s THR 232 Ca 0.73 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 61.22 2ksy s THR 232 Cb -0.54 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.43 2ksy s THR 232 CO 0.38 0.00 -0.06 -1.81 -2.21 0.00 0.00 174.62 170.92 2ksy s ASP 233 N 0.65 0.71 -0.09 8.08 1.11 -1.26 -5.08 116.67 120.79 2ksy s ASP 233 Ca -0.01 -0.57 -0.27 0.00 0.18 0.00 0.00 52.55 51.88 2ksy s ASP 233 Cb -0.05 0.06 -0.25 0.00 1.07 0.00 0.00 42.92 43.76 2ksy s ASP 233 CO -0.09 -0.25 0.94 0.74 1.18 0.00 0.00 175.17 177.69 2ksy h THR 234 N 4.44 1.64 -2.37 -1.27 2.02 -2.06 -3.46 112.91 111.85 2ksy h THR 234 Ca -0.35 -2.04 -0.61 0.00 0.77 0.00 0.00 66.41 64.18 2ksy h THR 234 Cb 1.20 2.99 0.12 0.00 -1.74 0.00 0.00 68.15 70.72 2ksy h THR 234 CO 0.42 0.54 -0.01 -2.65 0.37 0.00 0.00 175.52 174.19 2ksy n PRO 235 N -4.59 1.09 -1.73 6.66 -0.02 -1.26 -4.86 135.00 130.30 2ksy n PRO 235 Ca -0.10 0.39 -0.42 0.00 -2.02 0.00 0.00 63.50 61.34 2ksy n PRO 235 Cb 0.47 -1.73 -0.02 0.00 -0.02 0.00 0.00 33.50 32.20 2ksy n PRO 235 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ksy n ALA 236 N -0.05 2.23 -2.77 3.55 0.00 -1.26 -5.00 120.51 117.21 2ksy n ALA 236 Ca 0.11 0.38 -0.31 0.00 0.00 0.00 0.00 53.44 53.62 2ksy n ALA 236 Cb 0.33 -2.42 -0.07 0.00 0.00 0.00 0.00 19.45 17.29 2ksy n ALA 236 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2ksy s VAL 237 N 0.02 4.56 -0.42 0.00 0.11 -1.26 -5.01 120.40 118.41 2ksy s VAL 237 Ca 0.65 -0.69 0.10 0.00 -2.93 0.00 0.00 61.98 59.11 2ksy s VAL 237 Cb -0.53 -3.17 0.61 0.00 -1.53 0.00 0.00 36.38 31.76 2ksy s VAL 237 CO 0.48 0.18 1.48 0.00 -3.33 0.00 0.00 175.10 173.91 2ksy n ALA 238 N 0.63 3.73 -1.31 1.54 0.00 -1.26 -5.05 120.51 118.80 2ksy n ALA 238 Ca -0.10 -1.55 0.15 0.00 0.00 0.00 0.00 53.44 51.94 2ksy n ALA 238 Cb 0.52 -1.13 -0.04 0.00 0.00 0.00 0.00 19.45 18.80 2ksy n ALA 238 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2ksy n ASP 239 N 0.31 -7.76 -4.53 0.00 9.92 -1.26 -4.79 116.55 108.44 2ksy n ASP 239 Ca 0.24 1.18 -0.34 0.00 -0.53 0.00 0.00 54.79 55.35 2ksy n ASP 239 Cb 1.03 -3.34 -0.12 0.00 -0.64 0.00 0.00 41.12 38.06 2ksy n ASP 239 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2ksy s LEU 240 N 0.00 3.32 -0.02 0.64 2.01 -1.26 -4.97 118.68 118.40 2ksy s LEU 240 Ca 0.00 -0.09 0.03 0.00 0.01 0.00 0.00 54.13 54.08 2ksy s LEU 240 Cb 0.00 -1.80 -0.05 0.00 0.01 0.00 0.00 46.19 44.35 2ksy s LEU 240 CO 0.00 0.19 0.04 -0.62 1.01 0.00 0.00 176.35 176.97 2ksy n GLU 241 N 3.41 2.21 -0.07 1.70 1.02 -1.26 -4.75 120.64 122.90 2ksy n GLU 241 Ca -0.17 -0.01 -0.20 0.00 -0.02 0.00 0.00 57.16 56.75 2ksy n GLU 241 Cb 0.52 -1.09 -0.13 0.00 -0.02 0.00 0.00 31.44 30.73 2ksy n GLU 241 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2ksy n HIS 242 N -1.94 0.60 -2.76 -0.32 8.25 -1.26 -4.93 115.22 112.86 2ksy n HIS 242 Ca -0.04 0.14 -0.39 0.00 -0.26 0.00 0.00 57.72 57.17 2ksy n HIS 242 Cb 0.42 -1.08 -0.06 0.00 1.12 0.00 0.00 29.99 30.39 2ksy n HIS 242 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2ksy s HIS 243 N -2.53 3.89 0.39 4.41 3.76 -1.26 -5.07 115.29 118.87 2ksy s HIS 243 Ca -0.29 1.87 0.08 0.00 -0.15 0.00 0.00 55.06 56.57 2ksy s HIS 243 Cb 0.08 -2.96 -0.05 0.00 1.11 0.00 0.00 32.58 30.76 2ksy s HIS 243 CO 0.67 0.37 0.17 -3.38 -0.85 0.00 0.00 174.74 171.71 2ksy s HIS 244 N -1.32 2.63 -0.21 1.40 -3.43 -1.26 -4.89 115.29 108.21 2ksy s HIS 244 Ca 0.44 -0.51 -0.08 0.00 -0.80 0.00 0.00 55.06 54.11 2ksy s HIS 244 Cb -0.24 -1.84 0.03 0.00 -1.43 0.00 0.00 32.58 29.10 2ksy s HIS 244 CO 0.29 0.23 0.17 1.58 -2.00 0.00 0.00 174.74 175.01 2ksy n HIS 245 N -1.21 -4.11 -3.57 0.38 -0.00 -1.26 -5.08 115.22 100.37 2ksy n HIS 245 Ca -0.02 2.23 -0.17 0.00 -0.00 0.00 0.00 57.72 59.77 2ksy n HIS 245 Cb 0.63 -3.79 -0.07 0.00 -0.00 0.00 0.00 29.99 26.77 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 -0.93 -0.55 -2.90 1.57 5.04 -1.26 -5.23 115.29 111.02 2ksy s HIS 246 Ca -0.19 0.94 0.25 0.00 -1.54 0.00 0.00 55.06 54.51 2ksy s HIS 246 Cb 0.01 0.34 0.36 0.00 0.04 0.00 0.00 32.58 33.33 2ksy s HIS 246 CO 0.75 -0.56 1.35 0.72 -2.34 0.00 0.00 174.74 174.66