#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kkv h GLU 2 N 0.00 0.00 -5.24 2.12 3.07 -2.06 -3.43 114.58 109.04 2kkv h GLU 2 Ca 0.00 0.00 -0.65 0.00 -0.50 0.00 0.00 59.36 58.21 2kkv h GLU 2 Cb 0.00 0.00 -0.16 0.00 -0.84 0.00 0.00 28.75 27.75 2kkv h GLU 2 CO 0.00 0.20 0.35 -0.80 -1.40 0.00 0.00 179.01 177.36 2kkv s ASN 3 N -5.76 6.21 0.00 1.42 0.01 -1.26 -4.61 114.94 110.96 2kkv s ASN 3 Ca -0.00 -0.98 0.00 0.00 -0.71 0.00 0.00 52.86 51.17 2kkv s ASN 3 Cb 0.09 -2.37 0.00 0.00 0.41 0.00 0.00 41.25 39.38 2kkv s ASN 3 CO 0.79 -1.23 0.22 -1.20 -1.51 0.00 0.00 177.10 174.17 2kkv n SER 4 N 7.05 0.00 0.00 -1.22 7.64 -1.26 -5.15 113.62 120.68 2kkv n SER 4 Ca -0.05 -1.05 0.00 0.00 1.01 0.00 0.00 58.87 58.79 2kkv n SER 4 Cb 0.45 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 2kkv n SER 4 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kkv n GLY 5 N 0.00 0.71 0.37 0.23 0.00 -1.26 -4.88 105.19 100.36 2kkv n GLY 5 Ca 0.00 -2.09 0.04 0.00 0.00 0.00 0.00 46.02 43.97 2kkv n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kkv n ALA 6 N -1.00 2.39 0.80 4.61 0.00 -1.26 -4.50 120.51 121.56 2kkv n ALA 6 Ca 0.00 -0.71 0.06 0.00 0.00 0.00 0.00 53.44 52.79 2kkv n ALA 6 Cb 0.00 -0.29 0.17 0.00 0.00 0.00 0.00 19.45 19.32 2kkv n ALA 6 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 2kkv n TYR 7 N 0.42 0.50 -1.71 0.00 4.11 -1.26 -4.71 117.16 114.51 2kkv n TYR 7 Ca 0.06 -0.25 -0.34 0.00 -0.00 0.00 0.00 57.90 57.36 2kkv n TYR 7 Cb 0.25 -0.00 0.06 0.00 -0.00 0.00 0.00 39.34 39.65 2kkv n TYR 7 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.86 177.85 2kkv s THR 8 N -1.50 2.69 0.31 -3.48 2.01 -1.26 -4.86 115.64 109.56 2kkv s THR 8 Ca 0.25 0.36 0.07 0.00 0.31 0.00 0.00 61.69 62.68 2kkv s THR 8 Cb 0.13 -2.96 0.31 0.00 0.01 0.00 0.00 72.50 69.98 2kkv s THR 8 CO 0.17 -0.16 1.80 0.15 -0.69 0.00 0.00 174.62 175.88 2kkv h PHE 9 N 0.17 1.02 -0.95 4.92 3.04 -1.96 -2.03 116.94 121.14 2kkv h PHE 9 Ca -0.48 0.03 0.17 0.00 3.98 0.00 0.00 57.97 61.67 2kkv h PHE 9 Cb 1.28 -0.31 -0.10 0.00 2.56 0.00 0.00 35.95 39.38 2kkv h PHE 9 CO 0.49 0.26 0.56 0.93 -2.02 0.00 0.00 178.31 178.53 2kkv h GLU 10 N 0.76 0.72 -0.13 1.11 4.39 -1.95 -0.72 114.58 118.76 2kkv h GLU 10 Ca 0.55 -0.04 0.02 0.00 0.34 0.00 0.00 59.36 60.23 2kkv h GLU 10 Cb 0.87 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.33 2kkv h GLU 10 CO -0.34 0.48 -0.02 1.15 -1.16 0.00 0.00 179.01 179.12 2kkv h THR 11 N 0.75 0.89 -0.00 1.13 2.02 -1.65 -1.61 112.91 114.44 2kkv h THR 11 Ca 0.53 -0.01 -0.18 0.00 0.77 0.00 0.00 66.41 67.53 2kkv h THR 11 Cb 0.77 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 2kkv h THR 11 CO -0.36 0.00 -0.82 0.40 0.37 0.00 0.00 175.52 175.11 2kkv h ILE 12 N 0.02 1.52 -0.68 3.11 2.04 -1.55 -3.19 117.51 118.79 2kkv h ILE 12 Ca 0.06 -2.61 -0.01 0.00 1.00 0.00 0.00 64.86 63.30 2kkv h ILE 12 Cb 0.09 2.43 -0.03 0.00 -0.74 0.00 0.00 36.82 38.56 2kkv h ILE 12 CO -0.12 0.75 0.37 0.00 0.00 0.00 0.00 178.15 179.15 2kkv h ALA 13 N 1.09 1.38 0.00 1.87 0.00 -0.71 -2.16 119.26 120.73 2kkv h ALA 13 Ca -0.03 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 2kkv h ALA 13 Cb 1.43 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2kkv h ALA 13 CO 0.12 0.51 -0.26 0.00 0.00 0.00 0.00 179.25 179.62 2kkv h ARG 14 N 0.95 0.00 0.20 0.00 -0.00 -1.29 -2.19 114.38 112.05 2kkv h ARG 14 Ca 0.24 0.00 0.01 0.00 -0.50 0.00 0.00 59.98 59.73 2kkv h ARG 14 Cb 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 29.96 2kkv h ARG 14 CO -0.04 0.26 -0.35 1.49 0.00 0.00 0.00 179.97 181.34 2kkv h GLU 15 N 0.00 -0.60 0.15 0.04 4.57 -1.46 -1.53 114.58 115.75 2kkv h GLU 15 Ca -0.00 0.04 -0.30 0.00 -1.18 0.00 0.00 59.36 57.92 2kkv h GLU 15 Cb 0.62 0.14 0.01 0.00 -0.16 0.00 0.00 28.75 29.35 2kkv h GLU 15 CO 0.03 -0.40 -1.44 0.11 -1.18 0.00 0.00 179.01 176.14 2kkv h TRP 16 N -0.62 0.57 0.00 0.92 5.08 -1.69 -3.37 115.95 116.83 2kkv h TRP 16 Ca 0.01 -0.42 -0.03 0.00 1.08 0.00 0.00 58.89 59.53 2kkv h TRP 16 Cb 0.62 -0.02 -0.00 0.00 -3.00 0.00 0.00 29.16 26.75 2kkv h TRP 16 CO -0.27 1.40 -0.14 1.25 -1.28 0.00 0.00 178.44 179.39 2kkv h HIS 17 N 0.09 0.00 0.00 0.12 2.76 -1.21 -2.21 115.15 114.70 2kkv h HIS 17 Ca -0.21 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.96 2kkv h HIS 17 Cb 2.03 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.99 2kkv h HIS 17 CO 0.08 0.14 0.00 0.39 -1.30 0.00 0.00 177.93 177.24 2kkv n GLU 18 N -4.04 0.81 -0.13 5.26 1.02 -0.59 -1.36 120.64 121.60 2kkv n GLU 18 Ca -0.02 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.20 2kkv n GLU 18 Cb 0.23 -1.25 0.28 0.00 -0.02 0.00 0.00 31.44 30.68 2kkv n GLU 18 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2kkv n SER 19 N -0.75 1.86 -1.29 1.62 2.88 -0.83 -4.19 113.62 112.92 2kkv n SER 19 Ca 0.10 -1.84 -0.04 0.00 -1.33 0.00 0.00 58.87 55.76 2kkv n SER 19 Cb 0.04 -0.17 0.12 0.00 -0.75 0.00 0.00 64.21 63.45 2kkv n SER 19 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2kkv n ASN 20 N 0.47 3.13 -0.39 -3.46 4.05 -0.47 -5.00 115.26 113.59 2kkv n ASN 20 Ca 0.15 -2.52 0.00 0.00 0.45 0.00 0.00 54.58 52.65 2kkv n ASN 20 Cb 0.33 -0.61 0.00 0.00 1.23 0.00 0.00 39.78 40.73 2kkv n ASN 20 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 2kkv n LYS 21 N 0.04 0.00 -1.81 1.20 4.76 -1.26 -5.07 118.16 116.02 2kkv n LYS 21 Ca 0.18 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.61 2kkv n LYS 21 Cb 0.81 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.99 2kkv n LYS 21 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2kkv n ARG 22 N -0.77 -2.14 0.20 1.97 3.00 -1.26 -4.92 116.66 112.74 2kkv n ARG 22 Ca 0.00 1.86 0.06 0.00 -0.01 0.00 0.00 57.85 59.76 2kkv n ARG 22 Cb 0.00 -2.60 0.43 0.00 0.00 0.00 0.00 32.46 30.29 2kkv n ARG 22 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.63 177.74 2kkv h TRP 23 N 1.83 0.00 -3.09 -1.55 0.09 -1.98 -3.40 115.95 107.85 2kkv h TRP 23 Ca -0.14 0.00 -0.56 0.00 0.09 0.00 0.00 58.89 58.28 2kkv h TRP 23 Cb 0.32 0.00 -0.06 0.00 0.08 0.00 0.00 29.16 29.51 2kkv h TRP 23 CO 0.00 0.32 1.07 -1.12 0.09 0.00 0.00 178.44 178.80 2kkv s SER 24 N -6.62 6.25 0.52 0.11 0.01 -1.26 -4.86 113.70 107.85 2kkv s SER 24 Ca -0.02 0.50 0.22 0.00 1.31 0.00 0.00 55.95 57.96 2kkv s SER 24 Cb 0.13 -2.54 1.38 0.00 0.21 0.00 0.00 66.02 65.19 2kkv s SER 24 CO 0.68 -1.56 2.11 -0.33 0.41 0.00 0.00 173.24 174.55 2kkv h GLU 25 N 10.75 0.00 -0.89 12.44 3.07 -1.97 -3.15 114.58 134.83 2kkv h GLU 25 Ca -0.27 0.00 0.25 0.00 -0.50 0.00 0.00 59.36 58.85 2kkv h GLU 25 Cb 1.09 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.96 2kkv h GLU 25 CO 1.14 0.09 0.63 0.22 -1.40 0.00 0.00 179.01 179.69 2kkv h ASP 26 N 0.00 0.04 -0.20 1.42 3.58 -1.94 -1.02 116.42 118.30 2kkv h ASP 26 Ca -0.00 0.01 0.06 0.00 0.42 0.00 0.00 57.03 57.51 2kkv h ASP 26 Cb 0.19 -0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.23 2kkv h ASP 26 CO 0.01 0.01 0.18 1.12 -2.88 0.00 0.00 179.24 177.69 2kkv h HIS 27 N 0.04 0.00 0.00 0.28 2.07 -1.95 -0.85 115.15 114.74 2kkv h HIS 27 Ca 0.43 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.93 2kkv h HIS 27 Cb 1.64 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.62 2kkv h HIS 27 CO -0.00 0.00 -0.09 0.07 -3.07 0.00 0.00 177.93 174.84 2kkv h ARG 28 N 0.00 0.00 0.06 5.12 -0.00 -1.46 -0.39 114.38 117.71 2kkv h ARG 28 Ca 0.10 0.00 -0.26 0.00 -0.00 0.00 0.00 59.98 59.81 2kkv h ARG 28 Cb 0.46 0.00 0.01 0.00 -0.00 0.00 0.00 29.97 30.44 2kkv h ARG 28 CO -0.00 0.09 -1.11 0.77 -0.00 0.00 0.00 179.97 179.72 2kkv h SER 29 N 0.00 0.65 0.33 0.08 0.02 -1.36 -3.28 113.55 110.00 2kkv h SER 29 Ca -0.00 -0.58 -0.33 0.00 -0.84 0.00 0.00 61.79 60.04 2kkv h SER 29 Cb 0.32 -0.20 0.03 0.00 0.14 0.00 0.00 62.40 62.68 2kkv h SER 29 CO 0.01 1.40 -1.45 0.03 -1.14 0.00 0.00 176.83 175.68 2kkv h ARG 30 N 0.23 0.49 0.00 3.45 3.08 -1.47 -3.22 114.38 116.93 2kkv h ARG 30 Ca -0.13 -0.83 0.00 0.00 0.07 0.00 0.00 59.98 59.09 2kkv h ARG 30 Cb 1.77 0.31 0.00 0.00 0.08 0.00 0.00 29.97 32.13 2kkv h ARG 30 CO 0.20 1.40 0.00 -0.39 -1.07 0.00 0.00 179.97 180.10 2kkv h VAL 31 N 0.13 0.00 -0.99 2.04 -1.51 -1.22 -1.20 116.25 113.49 2kkv h VAL 31 Ca -0.24 -0.11 0.06 0.00 -1.23 0.00 0.00 66.70 65.18 2kkv h VAL 31 Cb 2.13 0.86 -0.07 0.00 -2.13 0.00 0.00 31.29 32.09 2kkv h VAL 31 CO 0.26 0.00 0.64 0.25 -1.23 0.00 0.00 177.57 177.49 2kkv h LEU 32 N 0.00 1.03 -1.02 4.19 6.46 -1.61 0.46 115.31 124.83 2kkv h LEU 32 Ca 0.00 0.01 0.02 0.00 -0.12 0.00 0.00 57.88 57.79 2kkv h LEU 32 Cb 0.14 -0.21 -0.05 0.00 -0.73 0.00 0.00 40.66 39.80 2kkv h LEU 32 CO 0.00 0.66 0.66 -0.09 -0.62 0.00 0.00 178.44 179.05 2kkv h ARG 33 N 1.16 1.28 0.19 1.25 2.43 -1.40 0.44 114.38 119.72 2kkv h ARG 33 Ca 0.43 -0.08 -0.33 0.00 -0.81 0.00 0.00 59.98 59.18 2kkv h ARG 33 Cb 0.16 -0.29 0.01 0.00 -0.42 0.00 0.00 29.97 29.44 2kkv h ARG 33 CO -0.17 0.84 -1.60 -0.92 -1.51 0.00 0.00 179.97 176.62 2kkv h TYR 34 N 1.31 0.73 -0.59 2.20 3.20 -1.53 -3.34 116.97 118.96 2kkv h TYR 34 Ca 0.38 -0.54 0.00 0.00 3.14 0.00 0.00 58.73 61.72 2kkv h TYR 34 Cb -0.08 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.14 2kkv h TYR 34 CO -0.00 1.56 0.37 1.25 -1.64 0.00 0.00 178.16 179.70 2kkv h LEU 35 N 0.11 0.68 -1.67 2.82 6.46 0.36 0.27 115.31 124.35 2kkv h LEU 35 Ca -0.29 -0.03 0.19 0.00 -0.12 0.00 0.00 57.88 57.64 2kkv h LEU 35 Cb 2.10 -0.17 -0.05 0.00 -0.73 0.00 0.00 40.66 41.81 2kkv h LEU 35 CO 0.21 0.51 0.55 -0.08 -0.62 0.00 0.00 178.44 179.00 2kkv h GLU 36 N 0.80 0.29 0.00 1.25 4.22 -1.04 0.74 114.58 120.83 2kkv h GLU 36 Ca 0.21 -0.02 -0.22 0.00 0.08 0.00 0.00 59.36 59.42 2kkv h GLU 36 Cb -0.06 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.08 2kkv h GLU 36 CO -0.04 0.19 -2.06 1.28 -2.18 0.00 0.00 179.01 176.20 2kkv n LEU 37 N -4.45 0.00 0.06 1.64 4.77 -0.66 -3.83 117.00 114.53 2kkv n LEU 37 Ca 0.16 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.93 2kkv n LEU 37 Cb 0.67 0.29 -0.12 0.00 -2.33 0.00 0.00 43.42 41.94 2kkv n LEU 37 CO 0.33 0.29 0.01 0.22 -1.33 0.00 0.00 177.39 176.92 2kkv h TYR 38 N 0.00 1.00 0.03 -1.77 3.20 0.32 -3.23 116.97 116.52 2kkv h TYR 38 Ca -0.32 -0.59 -0.36 0.00 3.14 0.00 0.00 58.73 60.60 2kkv h TYR 38 Cb 1.68 -0.10 -0.05 0.00 1.54 0.00 0.00 36.73 39.80 2kkv h TYR 38 CO 0.00 1.43 -2.20 -0.89 -1.64 0.00 0.00 178.16 174.86 2kkv n ILE 39 N -3.85 1.56 -3.91 1.81 2.08 0.18 -4.70 119.36 112.52 2kkv n ILE 39 Ca -0.12 -0.71 -0.29 0.00 0.56 0.00 0.00 62.75 62.19 2kkv n ILE 39 Cb 0.92 -1.18 -0.12 0.00 -0.75 0.00 0.00 39.64 38.51 2kkv n ILE 39 CO 0.00 0.00 0.00 -0.36 0.56 0.00 0.00 176.55 176.75 2kkv s PHE 40 N -2.54 3.49 -0.02 1.39 0.08 -1.22 -4.91 117.98 114.26 2kkv s PHE 40 Ca -0.20 -3.30 -0.19 0.00 0.12 0.00 0.00 56.93 53.35 2kkv s PHE 40 Cb 0.07 -2.75 -0.11 0.00 -0.57 0.00 0.00 43.02 39.67 2kkv s PHE 40 CO 0.74 -0.59 0.81 -1.35 -0.10 0.00 0.00 175.22 174.73 2kkv h PRO 41 N 5.66 -0.68 0.00 0.24 0.11 -1.78 -3.37 132.00 132.19 2kkv h PRO 41 Ca 0.09 0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.25 2kkv h PRO 41 Cb 0.79 0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.05 2kkv h PRO 41 CO 0.71 -0.45 -1.29 1.58 -0.21 0.00 0.00 178.00 178.34 2kkv n HIS 42 N -5.21 0.00 0.60 0.65 -0.00 -1.26 -4.67 115.22 105.33 2kkv n HIS 42 Ca -0.09 0.00 0.04 0.00 -0.00 0.00 0.00 57.72 57.67 2kkv n HIS 42 Cb 0.28 -0.20 0.16 0.00 -0.00 0.00 0.00 29.99 30.22 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 -1.75 0.80 1.13 3.57 -5.35 -1.26 -4.18 119.36 112.31 2kkv n ILE 43 Ca -0.01 -0.51 0.04 0.00 -0.27 0.00 0.00 62.75 62.00 2kkv n ILE 43 Cb 0.28 -0.08 0.24 0.00 -1.74 0.00 0.00 39.64 38.34 2kkv n ILE 43 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2kkv n GLY 44 N 0.66 -0.57 0.84 3.28 0.00 -1.26 -1.94 105.19 106.20 2kkv n GLY 44 Ca 0.11 -0.05 0.08 0.00 0.00 0.00 0.00 46.02 46.16 2kkv n GLY 44 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kkv n SER 45 N -0.73 2.97 -4.89 1.61 3.41 -1.26 -4.97 113.62 109.77 2kkv n SER 45 Ca 0.06 -1.87 -0.34 0.00 -0.26 0.00 0.00 58.87 56.45 2kkv n SER 45 Cb 0.03 -0.20 -0.05 0.00 -0.26 0.00 0.00 64.21 63.72 2kkv n SER 45 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2kkv s SER 46 N -1.16 6.49 0.27 4.04 0.01 -0.82 -5.09 113.70 117.44 2kkv s SER 46 Ca 0.28 0.55 -0.13 0.00 1.31 0.00 0.00 55.95 57.96 2kkv s SER 46 Cb 0.16 -2.08 -0.08 0.00 0.21 0.00 0.00 66.02 64.23 2kkv s SER 46 CO 0.22 0.24 0.65 -1.81 0.41 0.00 0.00 173.24 172.95 2kkv s ASP 47 N -1.76 6.74 0.35 2.44 1.11 -1.26 -4.98 116.67 119.31 2kkv s ASP 47 Ca 0.28 1.13 0.19 0.00 0.18 0.00 0.00 52.55 54.34 2kkv s ASP 47 Cb -0.13 -2.31 0.36 0.00 1.07 0.00 0.00 42.92 41.91 2kkv s ASP 47 CO 0.17 -0.12 1.58 -0.29 1.18 0.00 0.00 175.17 177.69 2kkv h ILE 48 N 2.09 0.63 0.00 0.77 2.10 -1.97 -2.96 117.51 118.16 2kkv h ILE 48 Ca -0.48 -1.69 0.00 0.00 1.08 0.00 0.00 64.86 63.77 2kkv h ILE 48 Cb 1.17 2.16 0.00 0.00 -1.09 0.00 0.00 36.82 39.07 2kkv h ILE 48 CO 0.67 0.33 0.00 -2.11 -1.08 0.00 0.00 178.15 175.96 2kkv n ARG 49 N -3.25 0.59 -2.85 2.19 1.85 -1.26 -4.10 116.66 109.83 2kkv n ARG 49 Ca 0.02 0.02 -0.03 0.00 -1.00 0.00 0.00 57.85 56.86 2kkv n ARG 49 Cb 0.61 -1.50 0.01 0.00 -1.05 0.00 0.00 32.46 30.53 2kkv n ARG 49 CO 0.00 0.00 0.00 -1.14 -0.01 0.00 0.00 177.63 176.48 2kkv s GLN 50 N -2.35 0.89 0.36 2.89 2.00 -1.14 -4.45 119.66 117.86 2kkv s GLN 50 Ca 0.33 -0.75 0.02 0.00 -2.00 0.00 0.00 55.36 52.95 2kkv s GLN 50 Cb 0.19 -0.01 -0.02 0.00 0.80 0.00 0.00 33.01 33.97 2kkv s GLN 50 CO 0.39 -1.14 0.55 -1.17 -0.50 0.00 0.00 175.29 173.42 2kkv s LEU 51 N 1.15 3.95 0.49 3.68 2.96 -1.13 -4.18 118.68 125.59 2kkv s LEU 51 Ca 0.26 0.30 0.06 0.00 -0.22 0.00 0.00 54.13 54.52 2kkv s LEU 51 Cb 0.01 -3.17 -0.00 0.00 0.50 0.00 0.00 46.19 43.53 2kkv s LEU 51 CO -0.06 -0.39 0.30 -0.54 -1.32 0.00 0.00 176.35 174.33 2kkv s LYS 52 N -4.33 2.28 0.00 1.98 1.02 -1.26 -4.96 119.74 114.48 2kkv s LYS 52 Ca 0.42 -1.93 0.00 0.00 0.02 0.00 0.00 55.97 54.48 2kkv s LYS 52 Cb -0.10 -2.05 0.00 0.00 -0.52 0.00 0.00 37.83 35.16 2kkv s LYS 52 CO 0.35 -0.39 0.00 0.25 -0.92 0.00 0.00 175.35 174.64 2kkv n THR 53 N -1.54 0.00 0.51 2.17 -2.24 -1.26 -4.62 114.28 107.30 2kkv n THR 53 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 2kkv n THR 53 Cb 0.64 -1.43 0.00 0.00 -2.10 0.00 0.00 70.33 67.45 2kkv n THR 53 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2kkv n SER 54 N -0.81 0.30 0.20 3.42 3.41 -1.26 -2.91 113.62 115.96 2kkv n SER 54 Ca 0.00 -0.81 0.05 0.00 -0.26 0.00 0.00 58.87 57.85 2kkv n SER 54 Cb 0.00 -0.15 0.43 0.00 -0.26 0.00 0.00 64.21 64.23 2kkv n SER 54 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 2kkv h HIS 55 N 0.44 0.00 0.00 7.33 -0.00 -1.93 -1.32 115.15 119.67 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 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.56 2kkv h HIS 55 CO 0.00 0.31 0.00 1.47 -0.00 0.00 0.00 177.93 179.71 2kkv n LEU 56 N -3.98 0.61 0.19 2.43 -0.00 -1.15 -2.93 117.00 112.18 2kkv n LEU 56 Ca -0.02 0.67 0.04 0.00 -0.00 0.00 0.00 56.01 56.71 2kkv n LEU 56 Cb 0.38 -0.61 0.36 0.00 -0.00 0.00 0.00 43.42 43.54 2kkv n LEU 56 CO 0.37 -0.61 0.69 0.25 -0.00 0.00 0.00 177.39 178.09 2kkv h LEU 57 N 0.00 0.00 0.07 1.47 5.85 -1.50 -3.29 115.31 117.91 2kkv h LEU 57 Ca 0.00 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.74 2kkv h LEU 57 Cb 0.29 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 2kkv h LEU 57 CO 0.00 0.39 -0.25 0.00 -0.34 0.00 0.00 178.44 178.24 2kkv h ALA 58 N 1.61 -0.39 -0.24 1.25 0.00 -1.69 0.31 119.26 120.12 2kkv h ALA 58 Ca -0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2kkv h ALA 58 Cb 0.79 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 2kkv h ALA 58 CO 0.05 -0.77 0.08 -1.35 0.00 0.00 0.00 179.25 177.26 2kkv h PRO 59 N -0.43 0.33 -0.06 0.00 0.11 -1.81 -2.26 132.00 127.88 2kkv h PRO 59 Ca 0.04 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 65.98 2kkv h PRO 59 Cb 0.47 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.51 2kkv h PRO 59 CO -0.17 0.29 -0.55 0.82 -0.21 0.00 0.00 178.00 178.18 2kkv h ILE 60 N 0.33 1.37 0.00 4.15 1.08 -1.35 -2.93 117.51 120.16 2kkv h ILE 60 Ca 0.08 -1.86 -0.06 0.00 -0.39 0.00 0.00 64.86 62.64 2kkv h ILE 60 Cb 0.10 1.93 -0.01 0.00 -3.07 0.00 0.00 36.82 35.77 2kkv h ILE 60 CO -0.01 0.55 -0.28 0.07 -0.69 0.00 0.00 178.15 177.79 2kkv h LYS 61 N 0.14 0.00 -0.25 2.37 2.10 0.19 -1.85 116.57 119.27 2kkv h LYS 61 Ca 0.00 0.00 0.07 0.00 -2.00 0.00 0.00 60.65 58.72 2kkv h LYS 61 Cb 1.01 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.33 2kkv h LYS 61 CO 0.08 0.28 0.20 1.49 -2.00 0.00 0.00 179.45 179.50 2kkv h GLU 62 N 0.00 0.00 0.07 0.07 4.81 -1.37 -1.58 114.58 116.58 2kkv h GLU 62 Ca -0.00 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 58.97 2kkv h GLU 62 Cb 0.76 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.14 2kkv h GLU 62 CO 0.04 0.00 -1.10 0.28 -0.73 0.00 0.00 179.01 177.50 2kkv h VAL 63 N 0.00 1.40 -0.22 0.32 2.07 -1.47 -2.78 116.25 115.59 2kkv h VAL 63 Ca 0.12 -2.64 -0.16 0.00 0.82 0.00 0.00 66.70 64.84 2kkv h VAL 63 Cb 0.52 2.64 -0.01 0.00 -1.52 0.00 0.00 31.29 32.92 2kkv h VAL 63 CO -0.00 0.78 -0.52 -2.24 0.02 0.00 0.00 177.57 175.61 2kkv h ASP 64 N 0.19 0.68 0.13 0.57 3.04 -1.35 0.35 116.42 120.03 2kkv h ASP 64 Ca -0.12 -0.35 -0.22 0.00 -3.24 0.00 0.00 57.03 53.10 2kkv h ASP 64 Cb 1.77 -0.19 0.01 0.00 -1.04 0.00 0.00 39.33 39.88 2kkv h ASP 64 CO 0.19 1.08 -1.02 0.74 -2.04 0.00 0.00 179.24 178.19 2kkv h THR 65 N 0.48 1.34 -0.35 1.15 2.02 -1.58 -3.35 112.91 112.61 2kkv h THR 65 Ca 0.02 -2.48 0.00 0.00 0.77 0.00 0.00 66.41 64.71 2kkv h THR 65 Cb 1.07 3.02 0.00 0.00 -1.74 0.00 0.00 68.15 70.50 2kkv h THR 65 CO 0.10 0.70 0.00 -1.20 0.37 0.00 0.00 175.52 175.49 2kkv n SER 66 N -4.07 3.01 0.00 4.18 7.64 -1.05 -4.97 113.62 118.36 2kkv n SER 66 Ca -0.18 -1.90 0.00 0.00 1.01 0.00 0.00 58.87 57.80 2kkv n SER 66 Cb 0.84 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.81 2kkv n SER 66 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kkv n GLY 67 N 0.90 5.42 3.56 0.23 0.00 0.10 -5.00 105.19 110.41 2kkv n GLY 67 Ca 0.14 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.72 2kkv n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kkv s LYS 68 N 4.89 3.58 0.43 1.61 1.02 -1.18 -4.85 119.74 125.24 2kkv s LYS 68 Ca 0.00 -0.03 0.09 0.00 0.02 0.00 0.00 55.97 56.06 2kkv s LYS 68 Cb 0.00 -3.85 0.95 0.00 -0.52 0.00 0.00 37.83 34.41 2kkv s LYS 68 CO 0.00 -0.84 2.07 1.12 -0.92 0.00 0.00 175.35 176.78 2kkv h HIS 69 N 8.60 0.42 -0.00 3.18 2.07 -1.79 -2.61 115.15 125.01 2kkv h HIS 69 Ca -0.26 0.01 -0.16 0.00 -2.85 0.00 0.00 60.37 57.12 2kkv h HIS 69 Cb 1.10 -0.14 0.01 0.00 2.57 0.00 0.00 27.41 30.96 2kkv h HIS 69 CO 0.75 0.26 -0.60 0.22 -3.07 0.00 0.00 177.93 175.49 2kkv h ASP 70 N 0.44 0.54 0.01 3.10 3.58 -1.92 -3.26 116.42 118.92 2kkv h ASP 70 Ca 0.14 -0.76 -0.06 0.00 0.42 0.00 0.00 57.03 56.77 2kkv h ASP 70 Cb 0.01 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 40.89 2kkv h ASP 70 CO -0.03 1.22 -0.17 1.62 -2.88 0.00 0.00 179.24 179.00 2kkv h VAL 71 N -0.10 1.21 -0.54 2.25 3.04 -1.93 -2.62 116.25 117.57 2kkv h VAL 71 Ca -0.07 -0.97 0.02 0.00 -1.01 0.00 0.00 66.70 64.67 2kkv h VAL 71 Cb 1.32 1.27 -0.03 0.00 -2.01 0.00 0.00 31.29 31.83 2kkv h VAL 71 CO 0.12 0.30 0.33 0.00 -1.01 0.00 0.00 177.57 177.31 2kkv h ALA 72 N 1.54 0.69 -0.50 3.17 0.00 -1.51 0.35 119.26 122.99 2kkv h ALA 72 Ca 0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2kkv h ALA 72 Cb 0.48 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2kkv h ALA 72 CO 0.03 0.04 0.24 1.96 0.00 0.00 0.00 179.25 181.52 2kkv h GLN 73 N 0.65 0.73 -0.16 0.00 1.08 -1.52 0.39 115.11 116.28 2kkv h GLN 73 Ca 0.22 -0.11 -0.06 0.00 -1.45 0.00 0.00 58.65 57.25 2kkv h GLN 73 Cb 0.01 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.30 2kkv h GLN 73 CO -0.09 0.61 -0.18 0.00 -0.95 0.00 0.00 178.83 178.22 2kkv h ARG 74 N 0.67 0.26 0.08 1.46 3.08 -1.09 -1.07 114.38 117.76 2kkv h ARG 74 Ca 0.17 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.15 2kkv h ARG 74 Cb 0.12 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.14 2kkv h ARG 74 CO -0.02 0.44 -0.04 1.25 -1.07 0.00 0.00 179.97 180.53 2kkv h LEU 75 N 0.24 -0.09 -0.85 3.04 7.12 0.21 -3.10 115.31 121.89 2kkv h LEU 75 Ca 0.05 -0.40 -0.06 0.00 0.13 0.00 0.00 57.88 57.60 2kkv h LEU 75 Cb 0.46 0.02 -0.03 0.00 -0.53 0.00 0.00 40.66 40.58 2kkv h LEU 75 CO 0.03 0.37 0.21 0.06 -0.13 0.00 0.00 178.44 178.98 2kkv h GLN 76 N -0.58 1.06 -0.02 1.25 3.07 -0.78 -1.96 115.11 117.17 2kkv h GLN 76 Ca -0.01 -0.22 0.00 0.00 0.09 0.00 0.00 58.65 58.51 2kkv h GLN 76 Cb 0.48 -0.16 -0.00 0.00 0.08 0.00 0.00 27.48 27.88 2kkv h GLN 76 CO 0.02 0.91 0.01 0.37 0.09 0.00 0.00 178.83 180.23 2kkv h GLN 77 N 1.02 0.00 -0.56 0.06 5.75 -1.28 -1.86 115.11 118.25 2kkv h GLN 77 Ca 0.22 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.71 2kkv h GLN 77 Cb 0.30 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.82 2kkv h GLN 77 CO -0.01 0.00 0.29 0.00 -2.65 0.00 0.00 178.83 176.47 2kkv h ARG 78 N 0.00 0.77 -0.70 1.69 3.08 -1.27 -2.49 114.38 115.46 2kkv h ARG 78 Ca 0.01 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 2kkv h ARG 78 Cb 0.03 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 29.89 2kkv h ARG 78 CO -0.00 0.58 0.32 0.28 -1.07 0.00 0.00 179.97 180.08 2kkv h VAL 79 N 0.78 1.24 -0.03 2.04 2.07 -1.41 -1.47 116.25 119.47 2kkv h VAL 79 Ca 0.20 -0.68 -0.06 0.00 0.82 0.00 0.00 66.70 66.98 2kkv h VAL 79 Cb 0.04 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 2kkv h VAL 79 CO -0.03 0.28 -0.25 0.74 0.02 0.00 0.00 177.57 178.33 2kkv h THR 80 N 0.98 1.19 0.00 2.57 2.02 -1.54 -1.94 112.91 116.19 2kkv h THR 80 Ca 0.24 -0.91 -0.07 0.00 0.77 0.00 0.00 66.41 66.43 2kkv h THR 80 Cb 0.14 1.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 2kkv h THR 80 CO -0.03 0.27 -0.33 0.00 0.37 0.00 0.00 175.52 175.79 2kkv h ALA 81 N 1.70 0.92 -0.03 6.16 0.00 -0.94 -3.10 119.26 123.98 2kkv h ALA 81 Ca 0.01 -0.30 -0.22 0.00 0.00 0.00 0.00 54.91 54.39 2kkv h ALA 81 Cb 0.47 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2kkv h ALA 81 CO 0.03 0.42 -0.89 0.82 0.00 0.00 0.00 179.25 179.63 2kkv h ILE 82 N 0.00 1.37 -0.97 0.00 2.04 -0.56 -3.34 117.51 116.06 2kkv h ILE 82 Ca -0.00 -2.32 0.06 0.00 1.00 0.00 0.00 64.86 63.59 2kkv h ILE 82 Cb 0.97 2.31 -0.06 0.00 -0.74 0.00 0.00 36.82 39.30 2kkv h ILE 82 CO 0.04 0.70 0.63 0.24 0.00 0.00 0.00 178.15 179.76 2kkv h MET 83 N 0.28 1.12 -0.99 2.37 2.86 -1.40 -2.06 114.93 117.10 2kkv h MET 83 Ca -0.07 -0.07 0.06 0.00 -2.06 0.00 0.00 59.70 57.56 2kkv h MET 83 Cb 1.52 -0.25 -0.06 0.00 0.06 0.00 0.00 31.60 32.86 2kkv h MET 83 CO 0.16 0.74 0.64 0.07 1.06 0.00 0.00 176.91 179.58 2kkv h ARG 84 N 1.15 1.14 0.00 1.72 0.11 -1.68 0.35 114.38 117.17 2kkv h ARG 84 Ca 0.41 -0.07 -0.19 0.00 0.10 0.00 0.00 59.98 60.23 2kkv h ARG 84 Cb 0.13 -0.26 -0.02 0.00 1.11 0.00 0.00 29.97 30.93 2kkv h ARG 84 CO -0.15 0.75 -0.90 1.88 0.10 0.00 0.00 179.97 181.66 2kkv h TYR 85 N 1.17 0.05 -0.28 4.08 0.05 -1.59 -2.79 116.97 117.66 2kkv h TYR 85 Ca 0.42 -0.03 -0.12 0.00 0.05 0.00 0.00 58.73 59.05 2kkv h TYR 85 Cb 0.13 -0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.87 2kkv h TYR 85 CO -0.00 0.91 -0.28 0.00 -1.05 0.00 0.00 178.16 177.74 2kkv h ALA 86 N 1.08 0.41 0.00 3.88 0.00 -0.75 -2.98 119.26 120.90 2kkv h ALA 86 Ca -0.02 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2kkv h ALA 86 Cb 1.57 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.28 2kkv h ALA 86 CO 0.12 0.42 0.00 0.28 0.00 0.00 0.00 179.25 180.07 2kkv n VAL 87 N -4.28 0.82 -0.35 0.00 0.31 0.11 -0.05 118.33 114.90 2kkv n VAL 87 Ca -0.04 0.23 0.07 0.00 -0.01 0.00 0.00 64.34 64.59 2kkv n VAL 87 Cb 0.47 -1.17 0.23 0.00 -0.91 0.00 0.00 33.84 32.46 2kkv n VAL 87 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 2kkv h GLN 88 N 0.00 0.90 0.00 5.55 1.08 -1.33 -1.80 115.11 119.51 2kkv h GLN 88 Ca 0.00 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 2kkv h GLN 88 Cb 0.37 -0.20 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 2kkv h GLN 88 CO 0.00 0.59 -1.41 0.09 -0.95 0.00 0.00 178.83 177.15 2kkv n ASN 89 N -4.66 1.12 -2.76 1.46 3.02 -1.09 -5.07 115.26 107.28 2kkv n ASN 89 Ca 0.18 -0.28 -0.01 0.00 -0.03 0.00 0.00 54.58 54.44 2kkv n ASN 89 Cb 0.37 1.50 -0.00 0.00 -0.61 0.00 0.00 39.78 41.03 2kkv n ASN 89 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2kkv n ASP 90 N -1.84 -7.24 -0.00 6.41 2.03 0.93 -4.97 116.55 111.88 2kkv n ASP 90 Ca -0.01 1.34 0.09 0.00 0.52 0.00 0.00 54.79 56.73 2kkv n ASP 90 Cb 0.36 -4.97 -0.11 0.00 -0.72 0.00 0.00 41.12 35.69 2kkv n ASP 90 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 2kkv n TYR 91 N 0.87 0.00 -0.11 -0.67 4.02 -1.24 -4.54 117.16 115.50 2kkv n TYR 91 Ca -0.04 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.73 2kkv n TYR 91 Cb 0.11 -0.02 -0.15 0.00 -0.02 0.00 0.00 39.34 39.26 2kkv n TYR 91 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 176.86 176.29 2kkv n ILE 92 N -1.48 1.42 -2.06 -0.72 -0.00 -1.26 -4.25 119.36 111.01 2kkv n ILE 92 Ca 0.03 -0.77 -0.18 0.00 -0.00 0.00 0.00 62.75 61.84 2kkv n ILE 92 Cb 0.31 -0.76 -0.03 0.00 -0.00 0.00 0.00 39.64 39.16 2kkv n ILE 92 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 2kkv n ASP 93 N -2.91 -5.13 0.00 7.28 2.03 -1.26 -4.71 116.55 111.85 2kkv n ASP 93 Ca -0.37 0.13 0.00 0.00 0.52 0.00 0.00 54.79 55.07 2kkv n ASP 93 Cb 1.11 -4.20 0.00 0.00 -0.72 0.00 0.00 41.12 37.31 2kkv n ASP 93 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2kkv n SER 94 N -1.18 0.00 -3.35 1.67 7.64 -1.26 -5.08 113.62 112.06 2kkv n SER 94 Ca -0.20 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.45 2kkv n SER 94 Cb 0.63 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.85 2kkv n SER 94 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2kkv n ASN 95 N 0.00 -6.26 -2.38 6.43 2.85 -1.26 -5.01 115.26 109.64 2kkv n ASN 95 Ca 0.00 -0.15 -0.04 0.00 -0.11 0.00 0.00 54.58 54.28 2kkv n ASN 95 Cb 0.00 -3.04 0.03 0.00 1.24 0.00 0.00 39.78 38.01 2kkv n ASN 95 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 2kkv n PRO 96 N -0.94 -0.55 -0.74 1.20 -0.02 -1.26 -4.18 135.00 128.51 2kkv n PRO 96 Ca -0.08 -0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.16 2kkv n PRO 96 Cb 0.61 -0.18 0.00 0.00 -0.02 0.00 0.00 33.50 33.91 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 -3.15 0.00 0.02 3.55 0.00 -1.26 -4.82 120.51 114.84 2kkv n ALA 97 Ca -0.03 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.40 2kkv n ALA 97 Cb 0.07 -0.87 -0.01 0.00 0.00 0.00 0.00 19.45 18.64 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 -0.08 -1.16 0.00 4.64 -1.93 -3.38 113.55 111.64 2kkv h SER 98 Ca 0.00 0.00 -0.70 0.00 -0.47 0.00 0.00 61.79 60.63 2kkv h SER 98 Cb 0.24 0.02 -0.10 0.00 -0.31 0.00 0.00 62.40 62.25 2kkv h SER 98 CO 0.00 0.17 2.03 -0.67 -0.87 0.00 0.00 176.83 177.49 2kkv n ASP 99 N -3.55 4.98 0.06 4.97 2.03 -1.26 -3.91 116.55 119.86 2kkv n ASP 99 Ca -0.01 -2.93 0.00 0.00 0.52 0.00 0.00 54.79 52.36 2kkv n ASP 99 Cb 0.04 -1.70 0.00 0.00 -0.72 0.00 0.00 41.12 38.74 2kkv n ASP 99 CO 0.00 0.00 0.00 0.80 -1.92 0.00 0.00 177.20 176.08 2kkv n MET 100 N 7.60 0.00 -4.41 -0.67 1.56 -1.26 -4.11 117.12 115.83 2kkv n MET 100 Ca 0.46 0.00 -0.24 0.00 -0.27 0.00 0.00 57.70 57.65 2kkv n MET 100 Cb 0.45 0.00 -0.11 0.00 2.15 0.00 0.00 33.22 35.71 2kkv n MET 100 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2kkv s ALA 101 N -2.00 2.44 0.00 -5.12 0.00 -1.25 -5.05 121.76 110.78 2kkv s ALA 101 Ca 0.00 -1.69 0.00 0.00 0.00 0.00 0.00 51.96 50.27 2kkv s ALA 101 Cb 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 22.87 2kkv s ALA 101 CO 0.00 0.30 0.00 0.41 0.00 0.00 0.00 175.76 176.47 2kkv n GLY 102 N -0.09 2.07 3.37 0.00 0.00 -1.26 -4.94 105.19 104.34 2kkv n GLY 102 Ca -0.10 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.47 2kkv n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kkv s ALA 103 N -1.00 3.54 -0.00 4.61 0.00 -1.26 -4.93 121.76 122.72 2kkv s ALA 103 Ca 0.00 -2.51 -0.01 0.00 0.00 0.00 0.00 51.96 49.44 2kkv s ALA 103 Cb 0.00 -3.58 -0.01 0.00 0.00 0.00 0.00 23.12 19.54 2kkv s ALA 103 CO 0.00 -2.40 0.35 -0.07 0.00 0.00 0.00 175.76 173.64 2kkv h LEU 104 N 9.58 -0.03 -5.36 0.00 4.07 -2.03 -3.43 115.31 118.10 2kkv h LEU 104 Ca -0.17 0.00 -0.25 0.00 0.08 0.00 0.00 57.88 57.54 2kkv h LEU 104 Cb 1.07 0.01 -0.39 0.00 1.08 0.00 0.00 40.66 42.43 2kkv h LEU 104 CO 1.04 0.00 -1.10 -0.24 -1.08 0.00 0.00 178.44 177.06 2kkv n SER 105 N -2.27 1.45 -4.53 -0.43 2.88 -1.26 -5.04 113.62 104.43 2kkv n SER 105 Ca -0.00 -2.11 -0.42 0.00 -1.33 0.00 0.00 58.87 55.00 2kkv n SER 105 Cb 0.02 -0.45 -0.03 0.00 -0.75 0.00 0.00 64.21 63.00 2kkv n SER 105 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2kkv s THR 106 N -3.60 4.14 0.05 2.46 -4.23 -1.26 -4.93 115.64 108.27 2kkv s THR 106 Ca 0.26 -0.89 -0.13 0.00 -1.18 0.00 0.00 61.69 59.76 2kkv s THR 106 Cb 0.34 -4.96 0.02 0.00 1.34 0.00 0.00 72.50 69.24 2kkv s THR 106 CO -0.03 -1.80 0.28 -0.89 -0.54 0.00 0.00 174.62 171.64 2kkv s THR 107 N 4.37 0.09 0.31 3.99 2.01 -1.26 -5.14 115.64 120.00 2kkv s THR 107 Ca 0.41 -0.74 -0.08 0.00 0.31 0.00 0.00 61.69 61.59 2kkv s THR 107 Cb -0.02 -0.95 0.01 0.00 0.01 0.00 0.00 72.50 71.55 2kkv s THR 107 CO -0.07 -0.41 0.51 -1.59 -0.69 0.00 0.00 174.62 172.37 2kkv s LYS 108 N -2.61 1.81 0.00 4.92 -2.85 -1.26 -5.07 119.74 114.68 2kkv s LYS 108 Ca -0.05 -1.53 0.00 0.00 -1.00 0.00 0.00 55.97 53.39 2kkv s LYS 108 Cb -0.01 0.47 0.00 0.00 -2.06 0.00 0.00 37.83 36.24 2kkv s LYS 108 CO -0.04 -0.76 0.93 0.00 0.10 0.00 0.00 175.35 175.57 2kkv n ALA 109 N -0.49 3.46 -1.67 0.59 0.00 -1.26 -5.13 120.51 116.01 2kkv n ALA 109 Ca -0.01 -0.61 -0.51 0.00 0.00 0.00 0.00 53.44 52.31 2kkv n ALA 109 Cb 0.62 -0.30 -0.06 0.00 0.00 0.00 0.00 19.45 19.71 2kkv n ALA 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2kkv n ARG 110 N 0.00 1.67 -3.38 0.00 5.12 -1.26 -4.95 116.66 113.86 2kkv n ARG 110 Ca -0.25 0.61 -0.17 0.00 -1.93 0.00 0.00 57.85 56.11 2kkv n ARG 110 Cb 0.67 -2.36 -0.09 0.00 -1.16 0.00 0.00 32.46 29.52 2kkv n ARG 110 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 2kkv s HIS 111 N 2.72 -0.38 -0.29 -1.55 5.65 -1.26 -5.08 115.29 115.09 2kkv s HIS 111 Ca 0.91 -0.47 0.02 0.00 0.25 0.00 0.00 55.06 55.76 2kkv s HIS 111 Cb -0.85 -0.44 0.20 0.00 -1.18 0.00 0.00 32.58 30.30 2kkv s HIS 111 CO 0.53 -0.94 0.63 -0.47 -0.65 0.00 0.00 174.74 173.83 2kkv s TYR 112 N 1.94 -1.68 0.00 3.88 6.14 -1.26 -5.10 117.35 121.27 2kkv s TYR 112 Ca 0.13 1.26 0.00 0.00 0.64 0.00 0.00 57.07 59.09 2kkv s TYR 112 Cb -0.15 0.39 0.00 0.00 0.42 0.00 0.00 41.96 42.63 2kkv s TYR 112 CO -0.19 -0.96 0.07 -2.30 0.64 0.00 0.00 175.55 172.80 2kkv n PRO 113 N 5.41 0.00 0.00 4.97 -0.02 -1.26 -4.99 135.00 139.12 2kkv n PRO 113 Ca 0.03 0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 2kkv n PRO 113 Cb 0.53 -0.60 0.00 0.00 -0.02 0.00 0.00 33.50 33.41 2kkv n PRO 113 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2kkv n LEU 114 N -0.62 0.00 0.00 2.45 7.94 -1.26 -5.06 117.00 120.45 2kkv n LEU 114 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2kkv n LEU 114 Cb 0.00 0.01 0.00 0.00 0.53 0.00 0.00 43.42 43.96 2kkv n LEU 114 CO 0.00 -0.07 0.00 1.21 -1.11 0.00 0.00 177.39 177.42 2kkv n GLU 115 N -1.63 0.00 -2.05 1.96 4.07 -1.26 -4.83 120.64 116.90 2kkv n GLU 115 Ca 0.00 0.00 -0.43 0.00 -0.06 0.00 0.00 57.16 56.67 2kkv n GLU 115 Cb 0.00 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.35 2kkv n GLU 115 CO 0.00 0.00 0.00 -1.58 -0.06 0.00 0.00 177.13 175.49 2kkv s HIS 116 N 0.00 1.95 -0.26 4.31 2.46 -1.26 -4.95 115.29 117.53 2kkv s HIS 116 Ca 0.00 0.55 0.01 0.00 0.47 0.00 0.00 55.06 56.09 2kkv s HIS 116 Cb 0.00 -4.06 0.07 0.00 -0.13 0.00 0.00 32.58 28.46 2kkv s HIS 116 CO 0.00 -3.01 -0.00 -1.58 -2.47 0.00 0.00 174.74 167.68 2kkv s HIS 117 N 5.94 2.46 -0.03 3.88 5.04 -1.26 -5.10 115.29 126.22 2kkv s HIS 117 Ca 0.76 -1.93 -0.01 0.00 -1.54 0.00 0.00 55.06 52.33 2kkv s HIS 117 Cb -0.24 -1.81 0.02 0.00 0.04 0.00 0.00 32.58 30.58 2kkv s HIS 117 CO 0.32 -0.82 0.06 -1.58 -2.34 0.00 0.00 174.74 170.38 2kkv s HIS 118 N 1.37 -0.04 -0.22 3.88 2.46 -1.26 -5.14 115.29 116.33 2kkv s HIS 118 Ca 0.00 0.19 -0.04 0.00 0.47 0.00 0.00 55.06 55.68 2kkv s HIS 118 Cb -0.19 -0.09 -0.01 0.00 -0.13 0.00 0.00 32.58 32.16 2kkv s HIS 118 CO -0.10 -0.07 -0.03 -1.58 -2.47 0.00 0.00 174.74 170.49 2kkv s HIS 119 N 0.60 2.97 0.40 3.88 2.46 -1.26 -5.10 115.29 119.24 2kkv s HIS 119 Ca -0.05 -0.86 0.08 0.00 0.47 0.00 0.00 55.06 54.70 2kkv s HIS 119 Cb -0.07 -2.11 -0.01 0.00 -0.13 0.00 0.00 32.58 30.26 2kkv s HIS 119 CO -0.02 -0.51 0.44 -3.38 -2.47 0.00 0.00 174.74 168.79 2kkv s HIS 120 N 1.46 2.79 -2.00 3.88 -3.43 -1.26 -5.38 115.29 111.35 2kkv s HIS 120 Ca 0.05 -0.42 0.18 0.00 -0.80 0.00 0.00 55.06 54.07 2kkv s HIS 120 Cb -0.14 -2.19 1.05 0.00 -1.43 0.00 0.00 32.58 29.87 2kkv s HIS 120 CO -0.02 -0.18 1.45 1.58 -2.00 0.00 0.00 174.74 175.57