#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kkv s GLU 2 N 0.00 2.59 -0.67 2.12 8.01 -1.26 -5.06 118.70 124.44 2kkv s GLU 2 Ca 0.00 -1.06 -0.17 0.00 0.01 0.00 0.00 54.97 53.74 2kkv s GLU 2 Cb 0.00 -2.61 0.13 0.00 -4.31 0.00 0.00 34.13 27.35 2kkv s GLU 2 CO 0.00 -0.58 0.73 1.21 0.01 0.00 0.00 175.26 176.63 2kkv s ASN 3 N -4.43 6.35 -0.11 -0.19 2.47 -1.26 -5.04 114.94 112.72 2kkv s ASN 3 Ca 0.57 -1.82 -0.06 0.00 0.42 0.00 0.00 52.86 51.98 2kkv s ASN 3 Cb -0.10 -2.28 -0.04 0.00 -1.45 0.00 0.00 41.25 37.39 2kkv s ASN 3 CO 0.37 -0.96 0.12 -0.44 -3.72 0.00 0.00 177.10 172.46 2kkv s SER 4 N 3.34 6.18 0.42 -4.21 0.01 -1.26 -5.11 113.70 113.07 2kkv s SER 4 Ca 0.14 0.41 0.07 0.00 1.31 0.00 0.00 55.95 57.88 2kkv s SER 4 Cb -0.20 -1.96 -0.04 0.00 0.21 0.00 0.00 66.02 64.03 2kkv s SER 4 CO 0.01 0.40 0.26 -0.83 0.41 0.00 0.00 173.24 173.49 2kkv s GLY 5 N -1.02 2.27 -0.45 3.44 0.00 -1.26 -4.86 107.32 105.44 2kkv s GLY 5 Ca 0.15 -1.99 -0.09 0.00 0.00 0.00 0.00 44.72 42.78 2kkv s GLY 5 CO 0.04 -1.83 0.54 0.00 0.00 0.00 0.00 173.10 171.84 2kkv n ALA 6 N -1.38 -2.82 -0.02 3.20 0.00 -1.26 -4.99 120.51 113.25 2kkv n ALA 6 Ca 0.01 0.71 -0.10 0.00 0.00 0.00 0.00 53.44 54.05 2kkv n ALA 6 Cb 0.63 -2.65 -0.08 0.00 0.00 0.00 0.00 19.45 17.35 2kkv n ALA 6 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.50 177.60 2kkv h TYR 7 N 1.30 -0.07 -5.32 0.00 -0.00 -2.05 -3.50 116.97 107.33 2kkv h TYR 7 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 2kkv h TYR 7 Cb 0.90 0.02 -0.05 0.00 -0.00 0.00 0.00 36.73 37.60 2kkv h TYR 7 CO 0.11 0.50 -1.14 2.41 -0.00 0.00 0.00 178.16 180.04 2kkv n THR 8 N -4.77-10.30 -0.35 -0.90 -1.04 -1.26 -4.59 114.28 91.07 2kkv n THR 8 Ca -0.07 1.90 0.11 0.00 -2.04 0.00 0.00 64.05 63.95 2kkv n THR 8 Cb 0.30 -5.96 0.30 0.00 -1.82 0.00 0.00 70.33 63.15 2kkv n THR 8 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 2kkv h PHE 9 N 3.73 1.07 -0.74 -1.42 3.57 -1.96 -1.38 116.94 119.80 2kkv h PHE 9 Ca -0.22 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.33 2kkv h PHE 9 Cb 0.61 -0.33 -0.04 0.00 2.79 0.00 0.00 35.95 38.98 2kkv h PHE 9 CO 0.00 0.33 0.49 0.93 -2.23 0.00 0.00 178.31 177.83 2kkv h GLU 10 N 0.85 0.95 -0.76 1.11 3.07 -1.99 -1.24 114.58 116.56 2kkv h GLU 10 Ca 0.53 -0.06 -0.05 0.00 -0.50 0.00 0.00 59.36 59.29 2kkv h GLU 10 Cb 0.73 -0.21 -0.03 0.00 -0.84 0.00 0.00 28.75 28.39 2kkv h GLU 10 CO -0.31 0.63 0.30 1.15 -1.40 0.00 0.00 179.01 179.37 2kkv h THR 11 N 0.98 1.26 -0.07 1.13 2.02 -1.53 -1.21 112.91 115.49 2kkv h THR 11 Ca 0.28 -0.82 -0.14 0.00 0.77 0.00 0.00 66.41 66.50 2kkv h THR 11 Cb -0.07 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 66.69 2kkv h THR 11 CO -0.08 0.33 -0.58 0.40 0.37 0.00 0.00 175.52 175.97 2kkv h ILE 12 N 1.11 1.38 -0.04 3.11 2.04 -1.23 -2.76 117.51 121.12 2kkv h ILE 12 Ca 0.25 -1.93 -0.12 0.00 1.00 0.00 0.00 64.86 64.07 2kkv h ILE 12 Cb 0.23 1.97 -0.01 0.00 -0.74 0.00 0.00 36.82 38.26 2kkv h ILE 12 CO -0.02 0.57 -0.53 0.00 0.00 0.00 0.00 178.15 178.17 2kkv h ALA 13 N 1.24 1.06 0.00 1.87 0.00 -0.83 -2.75 119.26 119.85 2kkv h ALA 13 Ca -0.00 -0.48 -0.07 0.00 0.00 0.00 0.00 54.91 54.35 2kkv h ALA 13 Cb 1.06 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2kkv h ALA 13 CO 0.09 0.67 -0.35 -0.09 0.00 0.00 0.00 179.25 179.56 2kkv h ARG 14 N 0.08 0.00 -0.06 0.00 2.43 -0.96 -3.03 114.38 112.84 2kkv h ARG 14 Ca -0.00 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.20 2kkv h ARG 14 Cb 0.96 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.47 2kkv h ARG 14 CO 0.07 0.35 -0.17 1.49 -1.51 0.00 0.00 179.97 180.20 2kkv h GLU 15 N 0.00 -0.24 0.00 0.20 4.57 -1.25 -2.02 114.58 115.85 2kkv h GLU 15 Ca -0.00 0.02 -0.09 0.00 -1.18 0.00 0.00 59.36 58.10 2kkv h GLU 15 Cb 0.81 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.44 2kkv h GLU 15 CO 0.05 -0.16 -0.44 0.11 -1.18 0.00 0.00 179.01 177.39 2kkv h TRP 16 N -0.25 0.00 -0.76 0.92 5.08 -1.70 -3.12 115.95 116.13 2kkv h TRP 16 Ca 0.07 0.00 0.22 0.00 1.08 0.00 0.00 58.89 60.26 2kkv h TRP 16 Cb 0.35 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.48 2kkv h TRP 16 CO -0.25 0.44 0.61 1.25 -1.28 0.00 0.00 178.44 179.21 2kkv h HIS 17 N 0.00 0.00 0.00 0.12 6.17 -1.25 -2.39 115.15 117.80 2kkv h HIS 17 Ca -0.00 0.00 -0.05 0.00 0.71 0.00 0.00 60.37 61.03 2kkv h HIS 17 Cb 1.27 0.00 -0.01 0.00 2.52 0.00 0.00 27.41 31.20 2kkv h HIS 17 CO 0.00 0.00 -0.22 0.93 0.71 0.00 0.00 177.93 179.35 2kkv h GLU 18 N 0.00 0.00 -0.78 5.26 4.39 -1.41 -2.98 114.58 119.06 2kkv h GLU 18 Ca 0.36 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 60.01 2kkv h GLU 18 Cb 1.58 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 30.20 2kkv h GLU 18 CO -0.00 0.22 0.07 -1.13 -1.16 0.00 0.00 179.01 177.00 2kkv n SER 19 N -3.89 3.90 -4.34 1.42 3.41 -0.90 -4.93 113.62 108.30 2kkv n SER 19 Ca -0.02 -2.65 -0.28 0.00 -0.26 0.00 0.00 58.87 55.66 2kkv n SER 19 Cb 0.31 -0.63 0.16 0.00 -0.26 0.00 0.00 64.21 63.78 2kkv n SER 19 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2kkv s ASN 20 N -0.48 3.55 0.09 4.04 2.20 -1.13 -5.00 114.94 118.21 2kkv s ASN 20 Ca 0.34 0.17 -0.31 0.00 -0.94 0.00 0.00 52.86 52.13 2kkv s ASN 20 Cb 0.27 -0.34 -0.14 0.00 -2.00 0.00 0.00 41.25 39.03 2kkv s ASN 20 CO 0.09 -2.44 1.62 0.07 -2.94 0.00 0.00 177.10 173.50 2kkv h LYS 21 N -1.32 -0.71 -2.40 3.55 2.10 -1.91 -3.44 116.57 112.44 2kkv h LYS 21 Ca -0.43 0.05 -0.06 0.00 -2.00 0.00 0.00 60.65 58.21 2kkv h LYS 21 Cb 1.25 0.16 -0.24 0.00 -0.90 0.00 0.00 32.23 32.50 2kkv h LYS 21 CO 0.41 -0.47 -0.18 -0.98 -2.00 0.00 0.00 179.45 176.23 2kkv s ARG 22 N -6.02 0.51 -0.70 0.07 1.04 -1.26 -5.10 118.95 107.48 2kkv s ARG 22 Ca -0.17 0.97 -0.26 0.00 -1.04 0.00 0.00 55.73 55.23 2kkv s ARG 22 Cb 0.06 0.07 -0.01 0.00 -2.04 0.00 0.00 34.95 33.02 2kkv s ARG 22 CO 0.63 -0.16 1.74 -1.58 -0.04 0.00 0.00 175.30 175.89 2kkv s TRP 23 N 1.57 1.85 -0.62 5.89 0.51 -1.26 -4.81 118.94 122.07 2kkv s TRP 23 Ca -0.09 0.52 -0.01 0.00 -2.12 0.00 0.00 56.10 54.40 2kkv s TRP 23 Cb -0.07 -4.22 0.47 0.00 -0.81 0.00 0.00 33.47 28.84 2kkv s TRP 23 CO -0.15 -2.16 1.96 -1.13 -0.51 0.00 0.00 176.95 174.96 2kkv n SER 24 N 12.10 7.07 0.21 2.95 3.41 -1.26 -4.73 113.62 133.37 2kkv n SER 24 Ca 0.21 -3.77 0.11 0.00 -0.26 0.00 0.00 58.87 55.15 2kkv n SER 24 Cb 0.51 -0.92 0.66 0.00 -0.26 0.00 0.00 64.21 64.20 2kkv n SER 24 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2kkv h GLU 25 N 1.90 0.00 -0.12 4.33 4.57 -1.97 -1.14 114.58 122.15 2kkv h GLU 25 Ca 0.59 0.00 0.04 0.00 -1.18 0.00 0.00 59.36 58.81 2kkv h GLU 25 Cb 1.07 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.62 2kkv h GLU 25 CO 1.48 0.00 -0.14 -0.44 -1.18 0.00 0.00 179.01 178.73 2kkv h ASP 26 N 0.00 -0.42 0.91 1.04 5.19 -2.02 -0.45 116.42 120.67 2kkv h ASP 26 Ca 0.05 0.08 -0.13 0.00 -0.62 0.00 0.00 57.03 56.41 2kkv h ASP 26 Cb 0.21 0.20 -0.02 0.00 0.18 0.00 0.00 39.33 39.91 2kkv h ASP 26 CO -0.00 -0.18 -0.64 0.45 -3.12 0.00 0.00 179.24 175.76 2kkv h HIS 27 N -0.17 0.00 0.00 4.55 3.86 -1.71 -3.01 115.15 118.67 2kkv h HIS 27 Ca 0.09 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.27 2kkv h HIS 27 Cb 0.30 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.76 2kkv h HIS 27 CO -0.25 0.64 -0.11 0.00 0.86 0.00 0.00 177.93 179.06 2kkv h ARG 28 N 0.00 0.00 -0.80 2.45 -0.00 -0.50 -1.62 114.38 113.91 2kkv h ARG 28 Ca -0.01 0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.47 2kkv h ARG 28 Cb 1.26 0.00 -0.04 0.00 0.00 0.00 0.00 29.97 31.19 2kkv h ARG 28 CO 0.08 0.11 0.49 1.03 0.00 0.00 0.00 179.97 181.69 2kkv h SER 29 N 0.00 0.95 -0.00 7.04 0.87 -0.96 0.12 113.55 121.56 2kkv h SER 29 Ca -0.00 -0.05 -0.11 0.00 -1.23 0.00 0.00 61.79 60.40 2kkv h SER 29 Cb 0.35 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 2kkv h SER 29 CO 0.01 0.72 -0.33 0.03 -0.53 0.00 0.00 176.83 176.73 2kkv h ARG 30 N 1.10 0.47 0.00 2.24 2.47 -1.45 -2.69 114.38 116.53 2kkv h ARG 30 Ca 0.29 -0.21 -0.02 0.00 -1.26 0.00 0.00 59.98 58.78 2kkv h ARG 30 Cb -0.06 -0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.24 2kkv h ARG 30 CO -0.06 0.75 -0.11 0.28 0.56 0.00 0.00 179.97 181.39 2kkv h VAL 31 N 0.41 0.25 -0.59 2.04 2.07 -1.00 -3.18 116.25 116.25 2kkv h VAL 31 Ca 0.05 -0.95 0.08 0.00 0.82 0.00 0.00 66.70 66.69 2kkv h VAL 31 Cb 0.78 1.77 -0.04 0.00 -1.52 0.00 0.00 31.29 32.29 2kkv h VAL 31 CO 0.06 0.11 0.39 0.25 0.02 0.00 0.00 177.57 178.41 2kkv h LEU 32 N 0.00 0.42 -0.69 2.57 5.85 -0.45 0.48 115.31 123.49 2kkv h LEU 32 Ca -0.00 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.75 2kkv h LEU 32 Cb 0.77 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.67 2kkv h LEU 32 CO 0.01 0.26 0.43 0.03 -0.34 0.00 0.00 178.44 178.84 2kkv h ARG 33 N 0.47 0.83 -0.01 1.25 3.08 -1.70 -0.83 114.38 117.47 2kkv h ARG 33 Ca 0.26 -0.05 -0.11 0.00 0.07 0.00 0.00 59.98 60.15 2kkv h ARG 33 Cb 0.42 -0.19 0.01 0.00 0.08 0.00 0.00 29.97 30.30 2kkv h ARG 33 CO -0.08 0.55 -0.43 -0.92 -1.07 0.00 0.00 179.97 178.03 2kkv h TYR 34 N 0.86 0.45 -0.40 3.04 3.20 -1.19 -3.34 116.97 119.59 2kkv h TYR 34 Ca 0.27 -0.24 0.07 0.00 3.14 0.00 0.00 58.73 61.98 2kkv h TYR 34 Cb -0.00 -0.05 -0.06 0.00 1.54 0.00 0.00 36.73 38.15 2kkv h TYR 34 CO -0.04 1.04 0.01 1.25 -1.64 0.00 0.00 178.16 178.78 2kkv h LEU 35 N -0.26 -0.14 -0.53 2.82 6.46 0.07 -2.90 115.31 120.83 2kkv h LEU 35 Ca -0.05 0.09 0.10 0.00 -0.12 0.00 0.00 57.88 57.90 2kkv h LEU 35 Cb 1.15 0.16 -0.08 0.00 -0.73 0.00 0.00 40.66 41.15 2kkv h LEU 35 CO 0.08 -0.04 0.07 -0.08 -0.62 0.00 0.00 178.44 177.86 2kkv h GLU 36 N 0.12 0.19 -0.00 1.25 4.81 -1.27 -0.44 114.58 119.24 2kkv h GLU 36 Ca 0.20 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 2kkv h GLU 36 Cb 0.27 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.61 2kkv h GLU 36 CO -0.32 0.13 -0.04 1.28 -0.73 0.00 0.00 179.01 179.33 2kkv n LEU 37 N -5.16 0.35 0.00 1.64 4.32 -1.10 -2.73 117.00 114.31 2kkv n LEU 37 Ca 0.06 -0.01 0.00 0.00 -0.02 0.00 0.00 56.01 56.04 2kkv n LEU 37 Cb 0.28 -0.11 0.00 0.00 -1.62 0.00 0.00 43.42 41.96 2kkv n LEU 37 CO 0.18 0.06 0.38 -1.22 -1.22 0.00 0.00 177.39 175.57 2kkv n TYR 38 N -0.88 0.00 -0.05 -1.77 4.02 -0.40 -4.40 117.16 113.68 2kkv n TYR 38 Ca 0.18 -0.27 -0.08 0.00 -0.01 0.00 0.00 57.90 57.72 2kkv n TYR 38 Cb 0.22 -0.03 -0.04 0.00 -0.02 0.00 0.00 39.34 39.47 2kkv n TYR 38 CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 176.86 177.36 2kkv n ILE 39 N -0.27 0.55 -3.04 -0.72 0.13 -0.31 -4.92 119.36 110.78 2kkv n ILE 39 Ca 0.00 -0.18 -0.18 0.00 -1.10 0.00 0.00 62.75 61.28 2kkv n ILE 39 Cb 0.14 -1.12 -0.03 0.00 -0.84 0.00 0.00 39.64 37.78 2kkv n ILE 39 CO 0.00 0.00 0.00 2.22 2.80 0.00 0.00 176.55 181.57 2kkv n PHE 40 N -3.02 -1.54 0.06 9.51 1.16 -1.11 -4.96 117.46 117.56 2kkv n PHE 40 Ca -0.18 -2.85 -0.10 0.00 -1.87 0.00 0.00 57.45 52.44 2kkv n PHE 40 Cb 0.67 0.40 -0.07 0.00 -1.61 0.00 0.00 39.48 38.87 2kkv n PHE 40 CO 0.00 0.00 0.00 -1.35 -1.87 0.00 0.00 176.76 173.54 2kkv h PRO 41 N 4.15 -0.23 0.05 3.97 0.11 -1.77 -3.07 132.00 135.21 2kkv h PRO 41 Ca 0.01 0.02 -0.38 0.00 0.11 0.00 0.00 66.00 65.76 2kkv h PRO 41 Cb 0.94 0.05 -0.05 0.00 0.11 0.00 0.00 31.00 32.05 2kkv h PRO 41 CO 0.39 0.17 -2.27 1.58 -0.21 0.00 0.00 178.00 177.67 2kkv n HIS 42 N -4.93 0.52 0.26 0.65 -0.00 -1.26 -4.42 115.22 106.04 2kkv n HIS 42 Ca -0.07 0.11 0.07 0.00 -0.00 0.00 0.00 57.72 57.83 2kkv n HIS 42 Cb 0.25 -1.07 0.23 0.00 -0.00 0.00 0.00 29.99 29.40 2kkv n HIS 42 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.34 176.78 2kkv n ILE 43 N -3.41 0.98 0.35 3.57 -6.64 -1.26 -4.18 119.36 108.77 2kkv n ILE 43 Ca -0.41 -0.72 0.14 0.00 -1.77 0.00 0.00 62.75 60.00 2kkv n ILE 43 Cb 1.00 0.12 0.54 0.00 -1.44 0.00 0.00 39.64 39.86 2kkv n ILE 43 CO 0.00 0.00 0.00 1.23 -1.77 0.00 0.00 176.55 176.01 2kkv h GLY 44 N 4.78 0.00 -1.93 3.28 0.00 -1.74 -2.67 103.07 104.79 2kkv h GLY 44 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2kkv h GLY 44 CO 0.09 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.07 2kkv n SER 45 N -2.68 2.85 -4.96 0.19 7.64 -1.26 -4.88 113.62 110.53 2kkv n SER 45 Ca 0.02 -2.26 -0.23 0.00 1.01 0.00 0.00 58.87 57.41 2kkv n SER 45 Cb 0.31 -0.44 -0.02 0.00 -1.01 0.00 0.00 64.21 63.04 2kkv n SER 45 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2kkv s SER 46 N -0.68 6.33 0.05 6.43 0.01 -1.01 -5.10 113.70 119.73 2kkv s SER 46 Ca 0.28 0.15 -0.20 0.00 1.31 0.00 0.00 55.95 57.49 2kkv s SER 46 Cb 0.18 -1.90 -0.06 0.00 0.21 0.00 0.00 66.02 64.45 2kkv s SER 46 CO 0.13 -0.06 0.60 -0.62 0.41 0.00 0.00 173.24 173.69 2kkv s ASP 47 N -3.77 7.05 0.61 2.44 -1.08 -1.26 -4.96 116.67 115.70 2kkv s ASP 47 Ca 0.35 1.25 0.37 0.00 -0.52 0.00 0.00 52.55 54.00 2kkv s ASP 47 Cb -0.10 -2.37 1.98 0.00 -1.46 0.00 0.00 42.92 40.97 2kkv s ASP 47 CO 0.30 0.19 2.24 -0.29 0.52 0.00 0.00 175.17 178.13 2kkv h ILE 48 N 3.78 0.22 0.00 4.11 2.10 -1.98 -0.44 117.51 125.30 2kkv h ILE 48 Ca -0.48 -0.18 0.00 0.00 1.08 0.00 0.00 64.86 65.29 2kkv h ILE 48 Cb 1.21 1.14 0.00 0.00 -1.09 0.00 0.00 36.82 38.08 2kkv h ILE 48 CO 0.66 0.02 0.00 -1.14 -1.08 0.00 0.00 178.15 176.62 2kkv n ARG 49 N -3.35 0.30 -3.49 2.19 0.63 -1.26 -3.86 116.66 107.82 2kkv n ARG 49 Ca -0.02 0.06 -0.27 0.00 -0.92 0.00 0.00 57.85 56.70 2kkv n ARG 49 Cb 0.14 -1.50 -0.09 0.00 0.45 0.00 0.00 32.46 31.46 2kkv n ARG 49 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 2kkv n GLN 50 N -1.31 1.56 -4.09 -0.14 -0.06 -0.17 -4.63 117.38 108.54 2kkv n GLN 50 Ca 0.11 -4.06 -0.23 0.00 -2.00 0.00 0.00 57.00 50.82 2kkv n GLN 50 Cb 0.20 -1.94 -0.04 0.00 -4.06 0.00 0.00 30.24 24.40 2kkv n GLN 50 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 2kkv s LEU 51 N -1.52 3.90 0.41 1.69 2.01 -1.25 -4.71 118.68 119.21 2kkv s LEU 51 Ca 0.34 -0.17 0.03 0.00 0.01 0.00 0.00 54.13 54.34 2kkv s LEU 51 Cb 0.09 -2.44 -0.03 0.00 0.01 0.00 0.00 46.19 43.82 2kkv s LEU 51 CO -0.11 -0.02 0.11 -0.54 1.01 0.00 0.00 176.35 176.80 2kkv s LYS 52 N -3.70 1.94 0.00 1.70 -0.14 -1.26 -4.89 119.74 113.39 2kkv s LYS 52 Ca 0.33 -2.18 0.00 0.00 -1.36 0.00 0.00 55.97 52.75 2kkv s LYS 52 Cb -0.09 -0.74 0.00 0.00 -1.68 0.00 0.00 37.83 35.33 2kkv s LYS 52 CO 0.25 -0.44 0.00 2.41 -0.76 0.00 0.00 175.35 176.81 2kkv n THR 53 N -0.93 0.00 0.00 2.17 -1.04 -1.26 -3.93 114.28 109.28 2kkv n THR 53 Ca -0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 2kkv n THR 53 Cb 0.65 -0.66 0.00 0.00 -1.82 0.00 0.00 70.33 68.50 2kkv n THR 53 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2kkv n SER 54 N -0.10 0.00 0.25 8.00 7.64 -1.26 -1.92 113.62 126.22 2kkv n SER 54 Ca 0.00 0.00 0.09 0.00 1.01 0.00 0.00 58.87 59.97 2kkv n SER 54 Cb 0.00 0.00 0.64 0.00 -1.01 0.00 0.00 64.21 63.84 2kkv n SER 54 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 2kkv h HIS 55 N 0.00 0.00 0.00 1.43 -0.00 -1.99 -1.82 115.15 112.77 2kkv h HIS 55 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2kkv h HIS 55 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 2kkv h HIS 55 CO 0.00 0.10 0.00 1.25 -0.00 0.00 0.00 177.93 179.28 2kkv h LEU 56 N 0.00 0.00 -2.00 2.43 7.12 -1.66 -2.70 115.31 118.50 2kkv h LEU 56 Ca -0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 2kkv h LEU 56 Cb 0.19 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.32 2kkv h LEU 56 CO 0.01 0.00 0.00 0.25 -0.13 0.00 0.00 178.44 178.57 2kkv h LEU 57 N 0.00 0.00 0.32 2.25 5.85 -1.59 -3.26 115.31 118.88 2kkv h LEU 57 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 2kkv h LEU 57 Cb 0.15 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 2kkv h LEU 57 CO 0.00 0.00 -0.32 0.00 -0.34 0.00 0.00 178.44 177.78 2kkv h ALA 58 N 2.03 -0.68 -0.83 1.25 0.00 -1.70 -0.49 119.26 118.83 2kkv h ALA 58 Ca 0.00 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 54.89 2kkv h ALA 58 Cb 0.22 0.46 -0.06 0.00 0.00 0.00 0.00 17.79 18.42 2kkv h ALA 58 CO 0.00 -0.92 0.54 -1.35 0.00 0.00 0.00 179.25 177.52 2kkv h PRO 59 N -0.67 0.82 0.00 0.00 0.11 -1.84 -1.01 132.00 129.40 2kkv h PRO 59 Ca -0.02 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.02 2kkv h PRO 59 Cb 0.61 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.54 2kkv h PRO 59 CO -0.06 0.54 -0.14 0.82 -0.21 0.00 0.00 178.00 178.95 2kkv h ILE 60 N 0.84 0.65 0.00 4.15 5.03 -1.53 -1.85 117.51 124.80 2kkv h ILE 60 Ca 0.38 -0.58 -0.04 0.00 -0.12 0.00 0.00 64.86 64.50 2kkv h ILE 60 Cb 0.36 1.36 -0.01 0.00 -3.03 0.00 0.00 36.82 35.50 2kkv h ILE 60 CO -0.15 0.13 -0.19 0.11 -0.68 0.00 0.00 178.15 177.38 2kkv h LYS 61 N 0.00 0.00 -0.05 2.37 1.79 0.30 -0.18 116.57 120.80 2kkv h LYS 61 Ca -0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 2kkv h LYS 61 Cb 0.35 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.00 2kkv h LYS 61 CO 0.02 0.19 0.00 1.49 -1.08 0.00 0.00 179.45 180.07 2kkv h GLU 62 N 0.00 0.09 -0.19 3.15 4.22 -1.36 -2.88 114.58 117.62 2kkv h GLU 62 Ca -0.00 -0.03 -0.05 0.00 0.08 0.00 0.00 59.36 59.36 2kkv h GLU 62 Cb 0.55 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 2kkv h GLU 62 CO 0.02 0.36 -0.08 0.28 -2.18 0.00 0.00 179.01 177.42 2kkv h VAL 63 N -0.19 1.30 -0.55 0.32 2.07 -1.40 -0.81 116.25 117.00 2kkv h VAL 63 Ca 0.02 -1.11 -0.09 0.00 0.82 0.00 0.00 66.70 66.33 2kkv h VAL 63 Cb 0.32 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 2kkv h VAL 63 CO 0.00 0.33 -0.02 -2.24 0.02 0.00 0.00 177.57 175.66 2kkv h ASP 64 N 0.08 0.98 1.61 0.57 2.03 -1.17 -1.79 116.42 118.72 2kkv h ASP 64 Ca 0.04 -0.32 0.00 0.00 -0.73 0.00 0.00 57.03 56.03 2kkv h ASP 64 Cb 0.55 -0.26 0.00 0.00 -0.83 0.00 0.00 39.33 38.79 2kkv h ASP 64 CO 0.02 1.06 0.00 0.74 -1.03 0.00 0.00 179.24 180.03 2kkv h THR 65 N 0.87 0.00 0.00 1.15 2.02 -1.50 -2.24 112.91 113.21 2kkv h THR 65 Ca 0.15 -0.69 -0.00 0.00 0.77 0.00 0.00 66.41 66.64 2kkv h THR 65 Cb 0.57 1.67 -0.00 0.00 -1.74 0.00 0.00 68.15 68.66 2kkv h THR 65 CO 0.03 0.00 -0.02 -1.28 0.37 0.00 0.00 175.52 174.62 2kkv h SER 66 N 0.00 0.00 0.00 4.18 0.87 -0.64 -3.46 113.55 114.50 2kkv h SER 66 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2kkv h SER 66 Cb 0.80 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.76 2kkv h SER 66 CO 0.00 0.02 0.00 0.61 -0.53 0.00 0.00 176.83 176.93 2kkv n GLY 67 N 0.26 1.46 2.49 5.77 0.00 -0.85 -5.01 105.19 109.32 2kkv n GLY 67 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 2kkv n GLY 67 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kkv n LYS 68 N 0.00 2.40 0.20 1.61 5.02 -0.72 -4.56 118.16 122.12 2kkv n LYS 68 Ca 0.00 -2.45 0.04 0.00 -2.02 0.00 0.00 58.31 53.88 2kkv n LYS 68 Cb 0.00 -2.12 0.43 0.00 -0.02 0.00 0.00 35.03 33.32 2kkv n LYS 68 CO 0.00 0.00 0.00 1.12 -0.52 0.00 0.00 177.40 178.00 2kkv h HIS 69 N 2.85 0.00 -0.18 2.13 2.07 -1.69 0.12 115.15 120.46 2kkv h HIS 69 Ca 0.41 0.00 -0.20 0.00 -2.85 0.00 0.00 60.37 57.73 2kkv h HIS 69 Cb 0.65 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.64 2kkv h HIS 69 CO 1.38 0.28 -0.68 0.22 -3.07 0.00 0.00 177.93 176.05 2kkv h ASP 70 N 0.00 0.82 -0.03 3.10 3.58 -1.91 -1.69 116.42 120.29 2kkv h ASP 70 Ca -0.00 -0.50 -0.01 0.00 0.42 0.00 0.00 57.03 56.94 2kkv h ASP 70 Cb 0.51 -0.24 -0.00 0.00 1.72 0.00 0.00 39.33 41.32 2kkv h ASP 70 CO 0.04 1.28 -0.01 0.58 -2.88 0.00 0.00 179.24 178.24 2kkv h VAL 71 N 0.51 1.32 -0.73 2.25 2.07 -1.81 -2.89 116.25 116.97 2kkv h VAL 71 Ca -0.02 -0.96 0.06 0.00 0.82 0.00 0.00 66.70 66.60 2kkv h VAL 71 Cb 1.29 1.91 -0.04 0.00 -1.52 0.00 0.00 31.29 32.92 2kkv h VAL 71 CO 0.14 0.25 0.48 0.00 0.02 0.00 0.00 177.57 178.46 2kkv h ALA 72 N 0.62 1.68 -0.40 1.67 0.00 -0.80 -1.02 119.26 121.00 2kkv h ALA 72 Ca 0.01 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.93 2kkv h ALA 72 Cb 0.42 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 2kkv h ALA 72 CO 0.00 0.21 0.17 0.37 0.00 0.00 0.00 179.25 180.00 2kkv h GLN 73 N 0.78 0.34 -1.00 0.00 5.75 -1.24 -2.34 115.11 117.40 2kkv h GLN 73 Ca 0.31 -0.02 0.07 0.00 -0.15 0.00 0.00 58.65 58.86 2kkv h GLN 73 Cb 0.23 -0.08 -0.07 0.00 1.07 0.00 0.00 27.48 28.63 2kkv h GLN 73 CO -0.10 0.23 0.64 0.00 -2.65 0.00 0.00 178.83 176.95 2kkv h ARG 74 N 0.35 1.12 -0.73 1.69 2.47 -0.98 -2.52 114.38 115.79 2kkv h ARG 74 Ca 0.18 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.83 2kkv h ARG 74 Cb 0.12 -0.25 -0.04 0.00 -1.65 0.00 0.00 29.97 28.15 2kkv h ARG 74 CO -0.15 0.74 0.47 -0.07 0.56 0.00 0.00 179.97 181.52 2kkv h LEU 75 N 1.16 0.84 -0.50 3.04 -0.00 -1.04 -0.80 115.31 118.01 2kkv h LEU 75 Ca 0.43 -0.03 -0.03 0.00 -0.00 0.00 0.00 57.88 58.25 2kkv h LEU 75 Cb 0.18 -0.21 -0.02 0.00 -0.00 0.00 0.00 40.66 40.61 2kkv h LEU 75 CO -0.17 0.62 0.19 1.56 -0.00 0.00 0.00 178.44 180.63 2kkv h GLN 76 N 0.99 0.76 -0.00 1.13 4.20 -1.36 0.18 115.11 121.01 2kkv h GLN 76 Ca 0.27 -0.14 -0.06 0.00 0.06 0.00 0.00 58.65 58.78 2kkv h GLN 76 Cb -0.10 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.55 2kkv h GLN 76 CO -0.06 0.68 -0.26 1.96 -0.67 0.00 0.00 178.83 180.48 2kkv h GLN 77 N 0.67 0.01 0.20 1.46 4.20 -1.25 -2.72 115.11 117.67 2kkv h GLN 77 Ca 0.17 -0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.54 2kkv h GLN 77 Cb 0.22 -0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.01 2kkv h GLN 77 CO -0.01 0.27 -1.62 0.00 -0.67 0.00 0.00 178.83 176.80 2kkv h ARG 78 N 0.01 0.42 -0.19 1.46 3.08 -0.48 -3.31 114.38 115.37 2kkv h ARG 78 Ca -0.00 -0.71 -0.11 0.00 0.07 0.00 0.00 59.98 59.22 2kkv h ARG 78 Cb 0.47 0.27 -0.01 0.00 0.08 0.00 0.00 29.97 30.77 2kkv h ARG 78 CO 0.03 1.33 -0.36 -0.24 -1.07 0.00 0.00 179.97 179.66 2kkv h VAL 79 N 0.11 1.29 -0.05 2.04 3.04 -0.57 -2.23 116.25 119.89 2kkv h VAL 79 Ca -0.29 -1.47 -0.06 0.00 -1.01 0.00 0.00 66.70 63.87 2kkv h VAL 79 Cb 2.11 1.55 -0.01 0.00 -2.01 0.00 0.00 31.29 32.93 2kkv h VAL 79 CO 0.21 0.45 -0.23 0.00 -1.01 0.00 0.00 177.57 176.99 2kkv h THR 80 N 0.35 1.19 -0.39 3.17 1.03 -1.62 -0.54 112.91 116.09 2kkv h THR 80 Ca 0.04 -0.90 -0.14 0.00 -0.01 0.00 0.00 66.41 65.40 2kkv h THR 80 Cb 0.80 1.42 -0.01 0.00 -1.07 0.00 0.00 68.15 69.30 2kkv h THR 80 CO 0.06 0.26 -0.30 0.00 -0.01 0.00 0.00 175.52 175.53 2kkv h ALA 81 N 1.70 0.57 -0.50 0.00 0.00 -1.50 -1.06 119.26 118.46 2kkv h ALA 81 Ca 0.01 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 2kkv h ALA 81 Cb 0.46 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2kkv h ALA 81 CO 0.03 0.61 0.29 0.82 0.00 0.00 0.00 179.25 181.00 2kkv h ILE 82 N 0.72 1.16 -0.56 0.00 2.04 -0.86 -2.23 117.51 117.78 2kkv h ILE 82 Ca 0.07 -0.39 -0.00 0.00 1.00 0.00 0.00 64.86 65.54 2kkv h ILE 82 Cb 0.89 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 2kkv h ILE 82 CO 0.08 0.17 0.34 0.24 0.00 0.00 0.00 178.15 178.98 2kkv h MET 83 N 0.67 0.75 -0.42 2.37 2.86 -1.02 -1.65 114.93 118.49 2kkv h MET 83 Ca 0.18 -0.06 0.08 0.00 -2.06 0.00 0.00 59.70 57.84 2kkv h MET 83 Cb 0.02 -0.16 -0.08 0.00 0.06 0.00 0.00 31.60 31.44 2kkv h MET 83 CO -0.03 0.54 -0.07 -0.09 1.06 0.00 0.00 176.91 178.32 2kkv h ARG 84 N 0.75 0.04 0.00 1.72 2.43 -0.79 0.19 114.38 118.72 2kkv h ARG 84 Ca 0.20 -0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.28 2kkv h ARG 84 Cb -0.03 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 2kkv h ARG 84 CO -0.04 0.02 -0.40 1.88 -1.51 0.00 0.00 179.97 179.93 2kkv h TYR 85 N 0.04 0.00 -0.13 2.20 0.05 -1.12 -2.37 116.97 115.64 2kkv h TYR 85 Ca 0.21 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.82 2kkv h TYR 85 Cb 0.31 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.05 2kkv h TYR 85 CO -0.34 0.40 -0.63 0.00 -1.05 0.00 0.00 178.16 176.54 2kkv h ALA 86 N 1.60 0.67 -0.40 3.88 0.00 -0.21 -3.10 119.26 121.70 2kkv h ALA 86 Ca -0.00 -0.55 -0.10 0.00 0.00 0.00 0.00 54.91 54.26 2kkv h ALA 86 Cb 0.71 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2kkv h ALA 86 CO 0.05 0.72 -0.14 0.28 0.00 0.00 0.00 179.25 180.15 2kkv h VAL 87 N 0.35 1.26 -0.76 0.00 2.07 -0.35 -2.40 116.25 116.42 2kkv h VAL 87 Ca -0.01 -1.20 0.12 0.00 0.82 0.00 0.00 66.70 66.43 2kkv h VAL 87 Cb 1.18 1.11 -0.05 0.00 -1.52 0.00 0.00 31.29 32.00 2kkv h VAL 87 CO 0.11 0.40 0.50 1.56 0.02 0.00 0.00 177.57 180.17 2kkv h GLN 88 N 0.66 0.55 -0.13 1.57 4.20 -1.35 0.09 115.11 120.70 2kkv h GLN 88 Ca 0.11 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.78 2kkv h GLN 88 Cb 0.62 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.27 2kkv h GLN 88 CO 0.04 0.36 0.00 0.09 -0.67 0.00 0.00 178.83 178.66 2kkv n ASN 89 N -4.50 2.13 -1.78 1.46 3.02 -1.12 -4.91 115.26 109.56 2kkv n ASN 89 Ca 0.14 -1.74 -0.20 0.00 -0.03 0.00 0.00 54.58 52.74 2kkv n ASN 89 Cb 0.42 -0.07 -0.07 0.00 -0.61 0.00 0.00 39.78 39.45 2kkv n ASN 89 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2kkv n ASP 90 N 0.64 -5.56 -0.07 6.41 8.00 0.02 -4.84 116.55 121.15 2kkv n ASP 90 Ca 0.17 0.36 -0.15 0.00 0.71 0.00 0.00 54.79 55.88 2kkv n ASP 90 Cb 0.43 -4.78 -0.05 0.00 -0.02 0.00 0.00 41.12 36.70 2kkv n ASP 90 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 2kkv h TYR 91 N 0.00 1.02 0.00 1.24 3.20 -1.66 -3.42 116.97 117.35 2kkv h TYR 91 Ca -0.44 -0.37 0.00 0.00 3.14 0.00 0.00 58.73 61.06 2kkv h TYR 91 Cb 1.34 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 39.42 2kkv h TYR 91 CO 0.57 1.18 0.00 0.44 -1.64 0.00 0.00 178.16 178.71 2kkv n ILE 92 N -4.07 0.00 0.00 1.81 -5.35 -1.25 -4.87 119.36 105.63 2kkv n ILE 92 Ca -0.05 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.43 2kkv n ILE 92 Cb 0.61 -0.38 0.00 0.00 -1.74 0.00 0.00 39.64 38.13 2kkv n ILE 92 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 2kkv n ASP 93 N -0.25 0.00 -3.92 7.28 2.03 -1.26 -4.96 116.55 115.48 2kkv n ASP 93 Ca 0.00 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.18 2kkv n ASP 93 Cb 0.00 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 40.45 2kkv n ASP 93 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2kkv n SER 94 N 0.00 1.31 -4.02 1.67 3.41 -1.26 -5.04 113.62 109.69 2kkv n SER 94 Ca 0.00 -1.98 -0.33 0.00 -0.26 0.00 0.00 58.87 56.30 2kkv n SER 94 Cb 0.00 -0.31 -0.11 0.00 -0.26 0.00 0.00 64.21 63.52 2kkv n SER 94 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2kkv s ASN 95 N -3.47 4.94 1.06 4.04 2.47 -1.26 -4.83 114.94 117.88 2kkv s ASN 95 Ca 0.42 -3.17 -0.10 0.00 0.42 0.00 0.00 52.86 50.43 2kkv s ASN 95 Cb -0.03 -1.75 0.15 0.00 -1.45 0.00 0.00 41.25 38.16 2kkv s ASN 95 CO 0.27 -0.26 0.70 -2.65 -3.72 0.00 0.00 177.10 171.44 2kkv n PRO 96 N 2.99 -1.35 -1.07 0.43 -0.02 -1.26 -4.16 135.00 130.56 2kkv n PRO 96 Ca 0.10 -1.09 -0.02 0.00 -2.02 0.00 0.00 63.50 60.47 2kkv n PRO 96 Cb 0.35 -0.84 -0.01 0.00 -0.02 0.00 0.00 33.50 32.99 2kkv n PRO 96 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kkv n ALA 97 N -3.72 -0.03 0.02 3.55 0.00 -1.25 -4.79 120.51 114.28 2kkv n ALA 97 Ca -0.12 0.04 -0.06 0.00 0.00 0.00 0.00 53.44 53.30 2kkv n ALA 97 Cb 0.33 -1.50 -0.04 0.00 0.00 0.00 0.00 19.45 18.24 2kkv n ALA 97 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2kkv h SER 98 N 0.00 -0.14 -0.22 0.00 4.64 -1.93 -3.27 113.55 112.63 2kkv h SER 98 Ca -0.05 -0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 2kkv h SER 98 Cb 1.00 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 2kkv h SER 98 CO 0.07 0.42 0.00 -0.67 -0.87 0.00 0.00 176.83 175.77 2kkv n ASP 99 N -4.87 1.35 -4.53 4.97 2.03 -1.26 -4.71 116.55 109.53 2kkv n ASP 99 Ca -0.04 -2.04 -0.42 0.00 0.52 0.00 0.00 54.79 52.81 2kkv n ASP 99 Cb 0.17 -0.20 -0.03 0.00 -0.72 0.00 0.00 41.12 40.34 2kkv n ASP 99 CO 0.00 0.00 0.00 -0.32 -1.92 0.00 0.00 177.20 174.96 2kkv s MET 100 N -1.68 3.65 -0.11 -0.67 1.75 -1.23 -4.78 119.30 116.23 2kkv s MET 100 Ca 0.15 -1.42 0.02 0.00 -1.25 0.00 0.00 55.69 53.19 2kkv s MET 100 Cb 0.08 -5.25 0.01 0.00 2.84 0.00 0.00 34.83 32.52 2kkv s MET 100 CO 0.09 -2.08 -0.17 0.00 -0.65 0.00 0.00 175.02 172.21 2kkv s ALA 101 N 4.18 1.79 -0.23 4.11 0.00 -1.26 -4.88 121.76 125.47 2kkv s ALA 101 Ca 0.43 -0.78 -0.26 0.00 0.00 0.00 0.00 51.96 51.35 2kkv s ALA 101 Cb -0.01 -0.81 0.00 0.00 0.00 0.00 0.00 23.12 22.30 2kkv s ALA 101 CO -0.08 0.02 0.91 0.20 0.00 0.00 0.00 175.76 176.81 2kkv s GLY 102 N 0.80 1.76 -0.79 0.00 0.00 -1.26 -5.00 107.32 102.83 2kkv s GLY 102 Ca -0.10 -0.01 -0.16 0.00 0.00 0.00 0.00 44.72 44.46 2kkv s GLY 102 CO 0.01 1.94 0.80 0.00 0.00 0.00 0.00 173.10 175.85 2kkv s ALA 103 N 2.94 3.83 0.01 3.20 0.00 -1.26 -4.90 121.76 125.58 2kkv s ALA 103 Ca 0.38 -3.01 -0.26 0.00 0.00 0.00 0.00 51.96 49.07 2kkv s ALA 103 Cb -0.15 -3.59 -0.15 0.00 0.00 0.00 0.00 23.12 19.22 2kkv s ALA 103 CO 0.07 -2.39 1.17 -0.07 0.00 0.00 0.00 175.76 174.54 2kkv h LEU 104 N 8.64 -0.63 -2.08 0.00 3.38 -1.98 -3.38 115.31 119.25 2kkv h LEU 104 Ca 0.03 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2kkv h LEU 104 Cb 1.05 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2kkv h LEU 104 CO 0.89 -0.27 -0.02 -0.24 0.09 0.00 0.00 178.44 178.90 2kkv n SER 105 N -5.31 1.06 -4.55 -0.43 2.88 -1.26 -5.01 113.62 101.00 2kkv n SER 105 Ca -0.11 -1.59 -0.39 0.00 -1.33 0.00 0.00 58.87 55.44 2kkv n SER 105 Cb 0.33 -0.02 -0.03 0.00 -0.75 0.00 0.00 64.21 63.74 2kkv n SER 105 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2kkv s THR 106 N -0.59 3.48 0.23 2.46 2.01 -1.26 -4.97 115.64 117.00 2kkv s THR 106 Ca 0.01 0.25 0.07 0.00 0.31 0.00 0.00 61.69 62.33 2kkv s THR 106 Cb 0.01 -4.27 -0.04 0.00 0.01 0.00 0.00 72.50 68.22 2kkv s THR 106 CO 0.00 -1.23 0.19 0.42 -0.69 0.00 0.00 174.62 173.32 2kkv s THR 107 N 7.98 4.50 0.14 -0.82 -4.23 -1.26 -4.86 115.64 117.10 2kkv s THR 107 Ca 0.57 -1.32 0.00 0.00 -1.18 0.00 0.00 61.69 59.76 2kkv s THR 107 Cb -0.11 -3.41 -0.00 0.00 1.34 0.00 0.00 72.50 70.32 2kkv s THR 107 CO 0.18 -0.30 0.00 0.29 -0.54 0.00 0.00 174.62 174.25 2kkv n LYS 108 N -1.03 1.56 -0.14 3.99 5.02 -1.26 -5.04 118.16 121.26 2kkv n LYS 108 Ca -0.08 -1.07 0.00 0.00 -2.02 0.00 0.00 58.31 55.14 2kkv n LYS 108 Cb 0.57 0.31 0.00 0.00 -0.02 0.00 0.00 35.03 35.90 2kkv n LYS 108 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kkv n ALA 109 N -2.52 1.30 -3.76 7.82 0.00 -1.26 -5.03 120.51 117.06 2kkv n ALA 109 Ca -0.06 -0.66 -0.35 0.00 0.00 0.00 0.00 53.44 52.37 2kkv n ALA 109 Cb 0.19 -0.14 -0.13 0.00 0.00 0.00 0.00 19.45 19.36 2kkv n ALA 109 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2kkv s ARG 110 N -0.04 2.16 -0.55 0.00 6.06 -1.26 -5.03 118.95 120.29 2kkv s ARG 110 Ca 0.00 -1.52 0.04 0.00 -2.50 0.00 0.00 55.73 51.75 2kkv s ARG 110 Cb 0.00 -3.29 0.15 0.00 0.06 0.00 0.00 34.95 31.87 2kkv s ARG 110 CO 0.00 -0.80 0.33 -1.58 -2.50 0.00 0.00 175.30 170.75 2kkv s HIS 111 N 1.16 2.88 -0.32 5.12 5.65 -1.26 -5.01 115.29 123.51 2kkv s HIS 111 Ca 0.01 -3.00 0.02 0.00 0.25 0.00 0.00 55.06 52.34 2kkv s HIS 111 Cb -0.21 -2.45 0.15 0.00 -1.18 0.00 0.00 32.58 28.90 2kkv s HIS 111 CO -0.03 -0.70 0.37 -0.47 -0.65 0.00 0.00 174.74 173.26 2kkv s TYR 112 N -0.47 -0.61 0.83 3.88 5.04 -1.26 -5.15 117.35 119.61 2kkv s TYR 112 Ca 0.21 -0.25 -0.07 0.00 -2.44 0.00 0.00 57.07 54.51 2kkv s TYR 112 Cb -0.17 -0.32 0.16 0.00 0.35 0.00 0.00 41.96 41.97 2kkv s TYR 112 CO -0.06 -0.97 1.14 -1.25 -1.34 0.00 0.00 175.55 173.07 2kkv s PRO 113 N 2.05 1.20 -0.21 4.97 0.04 -1.26 -5.05 135.00 136.75 2kkv s PRO 113 Ca 0.12 -0.81 -0.05 0.00 0.04 0.00 0.00 61.00 60.30 2kkv s PRO 113 Cb -0.14 -2.12 -0.11 0.00 0.04 0.00 0.00 34.50 32.18 2kkv s PRO 113 CO -0.20 -1.89 -0.23 -0.11 0.04 0.00 0.00 177.00 174.61 2kkv n LEU 114 N -3.25 2.15 -3.69 -3.56 0.00 -1.26 -5.04 117.00 102.35 2kkv n LEU 114 Ca 0.15 0.10 -0.31 0.00 0.00 0.00 0.00 56.01 55.94 2kkv n LEU 114 Cb 0.60 -0.65 0.04 0.00 0.00 0.00 0.00 43.42 43.41 2kkv n LEU 114 CO 0.44 0.62 -0.07 1.21 0.00 0.00 0.00 177.39 179.58 2kkv n GLU 115 N -3.56 -1.16 -3.85 1.96 2.13 -1.26 -4.97 120.64 109.92 2kkv n GLU 115 Ca -0.39 0.47 -0.30 0.00 0.66 0.00 0.00 57.16 57.61 2kkv n GLU 115 Cb 0.83 -4.01 -0.14 0.00 0.27 0.00 0.00 31.44 28.39 2kkv n GLU 115 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 2kkv s HIS 116 N -3.44 2.69 -0.16 4.31 2.46 -1.26 -5.08 115.29 114.82 2kkv s HIS 116 Ca 0.45 -2.72 -0.33 0.00 0.47 0.00 0.00 55.06 52.94 2kkv s HIS 116 Cb -0.17 -2.39 -0.10 0.00 -0.13 0.00 0.00 32.58 29.80 2kkv s HIS 116 CO 0.87 -0.81 2.02 -2.39 -2.47 0.00 0.00 174.74 171.96 2kkv n HIS 117 N 3.67 2.13 -1.88 3.88 1.44 -1.26 -4.90 115.22 118.30 2kkv n HIS 117 Ca 0.05 -0.01 -0.40 0.00 -2.01 0.00 0.00 57.72 55.35 2kkv n HIS 117 Cb 0.36 -2.66 0.01 0.00 0.12 0.00 0.00 29.99 27.81 2kkv n HIS 117 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2kkv s HIS 118 N 5.63 2.60 -0.18 -1.40 -3.43 -1.26 -4.91 115.29 112.33 2kkv s HIS 118 Ca 0.97 1.29 -0.29 0.00 -0.80 0.00 0.00 55.06 56.23 2kkv s HIS 118 Cb -0.63 -3.86 -0.02 0.00 -1.43 0.00 0.00 32.58 26.63 2kkv s HIS 118 CO 0.47 -2.69 1.42 -1.58 -2.00 0.00 0.00 174.74 170.37 2kkv s HIS 119 N -1.20 2.48 0.30 0.38 2.46 -1.26 -4.97 115.29 113.48 2kkv s HIS 119 Ca 0.58 0.72 -0.29 0.00 0.47 0.00 0.00 55.06 56.54 2kkv s HIS 119 Cb -0.43 -3.76 -0.10 0.00 -0.13 0.00 0.00 32.58 28.17 2kkv s HIS 119 CO 0.55 -2.41 1.15 -1.58 -2.47 0.00 0.00 174.74 169.98 2kkv s HIS 120 N 4.13 3.43 -0.13 3.88 2.46 -1.26 -5.34 115.29 122.45 2kkv s HIS 120 Ca 0.62 1.63 0.01 0.00 0.47 0.00 0.00 55.06 57.79 2kkv s HIS 120 Cb -0.24 -3.37 0.01 0.00 -0.13 0.00 0.00 32.58 28.85 2kkv s HIS 120 CO 0.22 -0.87 0.53 1.58 -2.47 0.00 0.00 174.74 173.74