#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kck h VAL 2 N 0.00 0.98 -2.02 2.03 -1.51 -2.07 -3.39 116.25 110.26 2kck h VAL 2 Ca 0.00 -0.66 -0.50 0.00 -1.23 0.00 0.00 66.70 64.31 2kck h VAL 2 Cb 0.00 1.37 -0.04 0.00 -2.13 0.00 0.00 31.29 30.49 2kck h VAL 2 CO 0.00 0.18 1.33 -1.81 -1.23 0.00 0.00 177.57 176.04 2kck s ASP 3 N -6.75 5.35 0.18 4.19 1.01 -1.26 -4.82 116.67 114.58 2kck s ASP 3 Ca -0.04 0.29 -0.09 0.00 0.71 0.00 0.00 52.55 53.42 2kck s ASP 3 Cb 0.15 -2.53 0.08 0.00 1.01 0.00 0.00 42.92 41.62 2kck s ASP 3 CO 0.67 -2.33 1.64 -0.61 0.21 0.00 0.00 175.17 174.75 2kck h GLN 4 N 14.53 1.05 -3.22 8.23 5.75 -2.02 -3.46 115.11 135.98 2kck h GLN 4 Ca -0.26 -0.35 -0.09 0.00 -0.15 0.00 0.00 58.65 57.80 2kck h GLN 4 Cb 1.15 -0.09 -0.17 0.00 1.07 0.00 0.00 27.48 29.45 2kck h GLN 4 CO 1.22 1.05 -0.20 0.54 -2.65 0.00 0.00 178.83 178.79 2kck s ASN 5 N -6.60 -0.18 0.00 -0.69 6.03 -1.26 -5.01 114.94 107.23 2kck s ASN 5 Ca -0.12 -0.14 0.00 0.00 -1.03 0.00 0.00 52.86 51.58 2kck s ASN 5 Cb 0.14 0.38 0.00 0.00 -3.03 0.00 0.00 41.25 38.74 2kck s ASN 5 CO 0.86 -0.64 0.45 -2.65 -2.03 0.00 0.00 177.10 173.09 2kck n PRO 6 N 0.53 0.00 0.00 3.55 -0.02 -1.26 -4.73 135.00 133.07 2kck n PRO 6 Ca -0.18 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.38 2kck n PRO 6 Cb 0.60 -0.95 0.00 0.00 -0.02 0.00 0.00 33.50 33.12 2kck n PRO 6 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2kck n GLU 7 N -0.53 0.00 0.08 -0.52 -0.58 -1.26 -4.15 120.64 113.67 2kck n GLU 7 Ca 0.00 0.00 -0.16 0.00 -0.42 0.00 0.00 57.16 56.58 2kck n GLU 7 Cb 0.00 -0.04 -0.08 0.00 -0.57 0.00 0.00 31.44 30.74 2kck n GLU 7 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 2kck h GLU 8 N 0.00 0.45 0.00 3.49 4.39 -2.06 -3.16 114.58 117.68 2kck h GLU 8 Ca 0.00 -0.55 0.00 0.00 0.34 0.00 0.00 59.36 59.15 2kck h GLU 8 Cb 0.00 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 2kck h GLU 8 CO 0.00 1.20 0.22 0.66 -1.16 0.00 0.00 179.01 179.92 2kck n TYR 9 N -3.72 0.41 0.01 4.33 4.02 -1.26 -1.30 117.16 119.64 2kck n TYR 9 Ca -0.09 0.22 0.00 0.00 -0.01 0.00 0.00 57.90 58.02 2kck n TYR 9 Cb 0.90 -0.69 0.02 0.00 -0.02 0.00 0.00 39.34 39.56 2kck n TYR 9 CO 0.00 0.00 0.00 2.48 -1.01 0.00 0.00 176.86 178.33 2kck n TYR 10 N -1.95 0.03 -0.15 -0.72 4.11 -1.20 -2.45 117.16 114.84 2kck n TYR 10 Ca -0.01 0.02 0.28 0.00 -0.00 0.00 0.00 57.90 58.19 2kck n TYR 10 Cb 0.24 -0.48 0.65 0.00 -0.00 0.00 0.00 39.34 39.74 2kck n TYR 10 CO 0.00 0.00 0.00 1.37 -0.00 0.00 0.00 176.86 178.23 2kck h LEU 11 N 0.00 0.00 -0.28 -3.48 8.10 -1.48 0.99 115.31 119.16 2kck h LEU 11 Ca 0.00 0.00 0.06 0.00 0.11 0.00 0.00 57.88 58.05 2kck h LEU 11 Cb 0.09 0.00 -0.07 0.00 -0.44 0.00 0.00 40.66 40.24 2kck h LEU 11 CO 0.00 0.00 -0.16 -0.08 -4.11 0.00 0.00 178.44 174.09 2kck h GLU 12 N 0.00 -0.12 -1.27 0.17 4.22 -1.78 -0.21 114.58 115.58 2kck h GLU 12 Ca 0.42 0.01 0.39 0.00 0.08 0.00 0.00 59.36 60.26 2kck h GLU 12 Cb 2.11 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 31.32 2kck h GLU 12 CO -0.00 -0.08 0.88 0.41 -2.18 0.00 0.00 179.01 178.04 2kck n GLY 13 N -1.33 -0.68 0.07 1.92 0.00 0.34 0.16 105.19 105.67 2kck n GLY 13 Ca -0.00 0.53 -0.12 0.00 0.00 0.00 0.00 46.02 46.43 2kck n GLY 13 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2kck h VAL 14 N 0.00 1.40 -0.13 1.61 2.07 -1.21 -3.20 116.25 116.80 2kck h VAL 14 Ca 0.68 -2.09 0.01 0.00 0.82 0.00 0.00 66.70 66.12 2kck h VAL 14 Cb 2.50 2.69 -0.02 0.00 -1.52 0.00 0.00 31.29 34.94 2kck h VAL 14 CO -0.15 0.48 -0.13 -0.07 0.02 0.00 0.00 177.57 177.72 2kck h LEU 15 N -1.00 -0.44 -0.53 2.57 3.38 0.17 0.67 115.31 120.12 2kck h LEU 15 Ca -0.03 0.06 0.10 0.00 0.09 0.00 0.00 57.88 58.10 2kck h LEU 15 Cb 0.85 0.19 -0.11 0.00 0.09 0.00 0.00 40.66 41.68 2kck h LEU 15 CO -0.02 -0.08 -0.29 -0.61 0.09 0.00 0.00 178.44 177.53 2kck h GLN 16 N -0.07 -0.15 0.22 1.13 5.75 -1.38 2.05 115.11 122.67 2kck h GLN 16 Ca 0.02 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.53 2kck h GLN 16 Cb 0.13 0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.68 2kck h GLN 16 CO -0.16 -0.10 -0.42 -0.92 -2.65 0.00 0.00 178.83 174.58 2kck h TYR 17 N -0.15 -1.21 0.00 3.99 3.20 -1.23 -3.37 116.97 118.20 2kck h TYR 17 Ca 0.23 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.12 2kck h TYR 17 Cb 0.52 0.50 0.00 0.00 1.54 0.00 0.00 36.73 39.29 2kck h TYR 17 CO -0.57 -0.51 0.00 -0.25 -1.64 0.00 0.00 178.16 175.19 2kck n ASP 18 N -4.91 0.00 -4.62 -2.11 8.00 0.22 -4.72 116.55 108.41 2kck n ASP 18 Ca -0.08 0.33 -0.43 0.00 0.71 0.00 0.00 54.79 55.32 2kck n ASP 18 Cb 0.35 -0.24 -0.02 0.00 -0.02 0.00 0.00 41.12 41.19 2kck n ASP 18 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kck s ALA 19 N -3.33 3.14 -1.57 2.24 0.00 0.69 -4.89 121.76 118.04 2kck s ALA 19 Ca 0.00 0.27 -0.10 0.00 0.00 0.00 0.00 51.96 52.13 2kck s ALA 19 Cb 0.00 -3.90 -0.09 0.00 0.00 0.00 0.00 23.12 19.13 2kck s ALA 19 CO 0.00 -2.17 2.98 0.41 0.00 0.00 0.00 175.76 176.98 2kck n GLY 20 N 4.89 4.23 2.86 0.00 0.00 -1.26 -3.10 105.19 112.80 2kck n GLY 20 Ca 0.19 -1.50 -0.26 0.00 0.00 0.00 0.00 46.02 44.44 2kck n GLY 20 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2kck n ASN 21 N 3.50 4.32 -0.35 1.61 0.23 -1.26 -4.89 115.26 118.41 2kck n ASN 21 Ca 0.77 -3.65 0.33 0.00 -0.53 0.00 0.00 54.58 51.50 2kck n ASN 21 Cb 0.25 -0.55 0.59 0.00 -2.08 0.00 0.00 39.78 37.99 2kck n ASN 21 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 2kck n TYR 22 N -0.24 0.97 -0.07 -2.53 4.02 -1.26 0.16 117.16 118.21 2kck n TYR 22 Ca 0.31 0.98 -0.07 0.00 -0.01 0.00 0.00 57.90 59.11 2kck n TYR 22 Cb 0.43 -1.39 -0.01 0.00 -0.02 0.00 0.00 39.34 38.34 2kck n TYR 22 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 176.86 177.00 2kck h THR 23 N 0.00 0.76 -0.58 -0.72 2.02 -1.98 -1.94 112.91 110.47 2kck h THR 23 Ca 0.82 -0.01 0.06 0.00 0.77 0.00 0.00 66.41 68.05 2kck h THR 23 Cb 2.33 0.73 -0.05 0.00 -1.74 0.00 0.00 68.15 69.41 2kck h THR 23 CO -0.64 0.01 0.30 -0.33 0.37 0.00 0.00 175.52 175.22 2kck h GLU 24 N 0.03 0.54 -0.99 6.66 3.07 0.11 -1.43 114.58 122.57 2kck h GLU 24 Ca 0.13 -0.03 0.23 0.00 -0.50 0.00 0.00 59.36 59.18 2kck h GLU 24 Cb 0.19 -0.12 -0.09 0.00 -0.84 0.00 0.00 28.75 27.89 2kck h GLU 24 CO -0.26 0.36 0.63 0.77 -1.40 0.00 0.00 179.01 179.12 2kck h SER 25 N 0.56 0.52 -0.52 1.42 0.02 -1.07 0.20 113.55 114.68 2kck h SER 25 Ca 0.26 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.27 2kck h SER 25 Cb 0.18 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 2kck h SER 25 CO -0.18 0.16 0.27 0.40 -1.14 0.00 0.00 176.83 176.34 2kck h ILE 26 N 0.49 1.18 -0.46 3.27 5.03 -0.98 0.32 117.51 126.37 2kck h ILE 26 Ca 0.55 -0.48 0.03 0.00 -0.12 0.00 0.00 64.86 64.84 2kck h ILE 26 Cb 1.25 0.55 -0.04 0.00 -3.03 0.00 0.00 36.82 35.56 2kck h ILE 26 CO -0.28 0.20 0.24 0.44 -0.68 0.00 0.00 178.15 178.07 2kck h ASP 27 N 0.69 0.36 -0.27 1.72 3.32 -0.55 -0.18 116.42 121.51 2kck h ASP 27 Ca 0.18 0.02 -0.11 0.00 0.02 0.00 0.00 57.03 57.14 2kck h ASP 27 Cb 0.07 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.57 2kck h ASP 27 CO -0.03 0.25 -0.25 0.25 -1.72 0.00 0.00 179.24 177.75 2kck h LEU 28 N 0.48 0.69 -0.61 1.55 7.12 -1.15 -3.15 115.31 120.24 2kck h LEU 28 Ca 0.19 -0.46 0.08 0.00 0.13 0.00 0.00 57.88 57.82 2kck h LEU 28 Cb 0.08 -0.19 -0.06 0.00 -0.53 0.00 0.00 40.66 39.96 2kck h LEU 28 CO -0.13 1.01 0.27 -0.26 -0.13 0.00 0.00 178.44 179.20 2kck h PHE 29 N 0.38 0.47 -0.82 1.25 -1.00 0.09 0.40 116.94 117.71 2kck h PHE 29 Ca 0.05 0.03 0.15 0.00 2.81 0.00 0.00 57.97 61.01 2kck h PHE 29 Cb 0.80 -0.12 -0.06 0.00 3.61 0.00 0.00 35.95 40.18 2kck h PHE 29 CO 0.07 0.17 0.54 1.49 -1.61 0.00 0.00 178.31 178.97 2kck h GLU 30 N 0.48 0.50 -0.14 1.51 4.81 -1.00 -0.92 114.58 119.82 2kck h GLU 30 Ca 0.29 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.46 2kck h GLU 30 Cb 0.31 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.57 2kck h GLU 30 CO -0.26 0.33 -0.06 0.87 -0.73 0.00 0.00 179.01 179.16 2kck h LYS 31 N 0.51 0.29 0.01 1.92 1.57 -0.92 -1.28 116.57 118.69 2kck h LYS 31 Ca 0.41 -0.13 0.02 0.00 -1.87 0.00 0.00 60.65 59.08 2kck h LYS 31 Cb 0.84 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.11 2kck h LYS 31 CO -0.16 0.62 -0.14 0.00 -0.57 0.00 0.00 179.45 179.20 2kck h ALA 32 N 0.67 -0.18 -0.78 3.86 0.00 -0.56 -2.16 119.26 120.11 2kck h ALA 32 Ca 0.03 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.97 2kck h ALA 32 Cb 0.53 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 2kck h ALA 32 CO 0.02 -0.64 0.51 0.82 0.00 0.00 0.00 179.25 179.96 2kck h ILE 33 N -0.24 1.15 -0.92 0.00 2.04 -1.30 -1.55 117.51 116.69 2kck h ILE 33 Ca 0.04 -0.34 0.20 0.00 1.00 0.00 0.00 64.86 65.76 2kck h ILE 33 Cb 0.30 0.06 -0.07 0.00 -0.74 0.00 0.00 36.82 36.36 2kck h ILE 33 CO -0.13 0.18 0.60 -0.61 0.00 0.00 0.00 178.15 178.19 2kck h GLN 34 N 1.00 0.46 -0.28 2.37 5.75 -0.61 0.15 115.11 123.94 2kck h GLN 34 Ca 0.30 -0.03 -0.19 0.00 -0.15 0.00 0.00 58.65 58.59 2kck h GLN 34 Cb -0.04 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 28.41 2kck h GLN 34 CO -0.09 0.30 -0.56 -0.07 -2.65 0.00 0.00 178.83 175.76 2kck h LEU 35 N 0.47 0.98 -6.32 -2.39 4.07 -0.78 -3.45 115.31 107.88 2kck h LEU 35 Ca 0.49 -0.54 0.14 0.00 0.08 0.00 0.00 57.88 58.05 2kck h LEU 35 Cb 1.12 -0.28 -0.22 0.00 1.08 0.00 0.00 40.66 42.36 2kck h LEU 35 CO -0.21 1.34 -0.03 -0.62 -1.08 0.00 0.00 178.44 177.84 2kck s ASP 36 N -6.96 -0.93 0.01 -0.43 2.15 0.49 -5.03 116.67 105.98 2kck s ASP 36 Ca -0.11 0.87 0.28 0.00 0.43 0.00 0.00 52.55 54.02 2kck s ASP 36 Cb 0.10 1.90 1.01 0.00 -0.30 0.00 0.00 42.92 45.63 2kck s ASP 36 CO 0.89 -0.18 1.78 -0.81 -0.17 0.00 0.00 175.17 176.68 2kck n PRO 37 N 5.33 0.02 -0.18 4.34 -0.04 -1.04 -4.11 135.00 139.32 2kck n PRO 37 Ca -0.07 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 2kck n PRO 37 Cb 0.52 -1.52 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 2kck n PRO 37 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2kck n GLU 38 N -1.55 0.52 -3.77 0.54 -0.58 -1.26 -4.51 120.64 110.03 2kck n GLU 38 Ca 0.06 0.00 -0.30 0.00 -0.42 0.00 0.00 57.16 56.51 2kck n GLU 38 Cb 0.35 -1.24 -0.15 0.00 -0.57 0.00 0.00 31.44 29.83 2kck n GLU 38 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2kck s GLU 39 N 0.81 0.84 0.09 3.49 2.02 -1.26 -4.99 118.70 119.70 2kck s GLU 39 Ca 0.00 -1.23 -0.18 0.00 0.02 0.00 0.00 54.97 53.58 2kck s GLU 39 Cb 0.00 -2.16 -0.08 0.00 0.10 0.00 0.00 34.13 31.99 2kck s GLU 39 CO 0.00 -0.99 1.50 1.03 0.02 0.00 0.00 175.26 176.82 2kck h SER 40 N 7.95 0.49 -1.09 -0.19 0.87 -1.96 -2.86 113.55 116.76 2kck h SER 40 Ca -0.12 -0.34 0.30 0.00 -1.23 0.00 0.00 61.79 60.41 2kck h SER 40 Cb 1.01 -0.13 -0.06 0.00 -0.44 0.00 0.00 62.40 62.77 2kck h SER 40 CO 0.48 0.72 0.75 0.11 -0.53 0.00 0.00 176.83 178.36 2kck h LYS 41 N 0.26 0.14 0.03 2.24 1.57 -1.97 0.89 116.57 119.73 2kck h LYS 41 Ca 0.07 -0.01 -0.22 0.00 -1.87 0.00 0.00 60.65 58.62 2kck h LYS 41 Cb 0.48 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 2kck h LYS 41 CO 0.02 0.09 -0.98 1.88 -0.57 0.00 0.00 179.45 179.89 2kck h TYR 42 N 0.14 0.33 0.13 -1.35 -1.99 -1.93 -3.11 116.97 109.20 2kck h TYR 42 Ca 0.55 -0.20 -0.30 0.00 2.00 0.00 0.00 58.73 60.78 2kck h TYR 42 Cb 1.90 -0.03 0.03 0.00 2.00 0.00 0.00 36.73 40.63 2kck h TYR 42 CO -0.00 1.06 -1.26 -1.49 -0.00 0.00 0.00 178.16 176.47 2kck h TRP 43 N 0.10 0.95 -1.00 4.88 4.06 0.58 -3.04 115.95 122.47 2kck h TRP 43 Ca -0.06 -0.61 0.06 0.00 2.06 0.00 0.00 58.89 60.34 2kck h TRP 43 Cb 1.65 -0.07 -0.07 0.00 -1.00 0.00 0.00 29.16 29.68 2kck h TRP 43 CO 0.04 1.46 0.65 1.25 -3.56 0.00 0.00 178.44 178.27 2kck h LEU 44 N 0.24 1.04 -0.59 -4.49 6.46 0.20 -1.25 115.31 116.93 2kck h LEU 44 Ca -0.19 0.01 -0.12 0.00 -0.12 0.00 0.00 57.88 57.46 2kck h LEU 44 Cb 1.94 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 41.64 2kck h LEU 44 CO 0.24 0.67 -0.21 0.24 -0.62 0.00 0.00 178.44 178.76 2kck h MET 45 N 1.18 0.91 -0.46 1.25 2.86 -1.60 -3.08 114.93 115.99 2kck h MET 45 Ca 0.43 -0.37 0.04 0.00 -2.06 0.00 0.00 59.70 57.74 2kck h MET 45 Cb 0.15 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.73 2kck h MET 45 CO -0.17 1.03 0.22 -0.22 1.06 0.00 0.00 176.91 178.83 2kck h LYS 46 N 0.79 0.43 -0.77 1.72 3.64 -1.13 -1.99 116.57 119.25 2kck h LYS 46 Ca 0.11 -0.03 0.14 0.00 -1.27 0.00 0.00 60.65 59.60 2kck h LYS 46 Cb 0.76 -0.10 -0.09 0.00 -0.41 0.00 0.00 32.23 32.39 2kck h LYS 46 CO 0.06 0.28 0.35 0.78 -2.27 0.00 0.00 179.45 178.65 2kck h GLY 47 N 0.44 1.20 1.60 5.01 0.00 -1.31 0.18 103.07 110.18 2kck h GLY 47 Ca 0.20 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 2kck h GLY 47 CO -0.15 -0.06 0.17 0.50 0.00 0.00 0.00 176.54 177.00 2kck h LYS 48 N 0.51 0.53 0.02 4.80 1.57 -1.37 0.11 116.57 122.74 2kck h LYS 48 Ca 0.42 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 59.14 2kck h LYS 48 Cb 0.60 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.80 2kck h LYS 48 CO -0.37 0.43 -0.01 0.00 -0.57 0.00 0.00 179.45 178.92 2kck h ALA 49 N 1.66 -0.02 -0.50 3.86 0.00 -0.29 -1.72 119.26 122.24 2kck h ALA 49 Ca 0.13 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 2kck h ALA 49 Cb 0.08 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2kck h ALA 49 CO -0.02 -0.33 0.13 -0.07 0.00 0.00 0.00 179.25 178.96 2kck h LEU 50 N -0.38 0.76 -0.11 0.00 3.38 -1.01 -2.18 115.31 115.76 2kck h LEU 50 Ca -0.00 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 57.76 2kck h LEU 50 Cb 0.37 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2kck h LEU 50 CO 0.00 0.79 -0.04 0.22 0.09 0.00 0.00 178.44 179.51 2kck h TYR 51 N 0.69 -0.09 0.00 1.13 3.20 -0.78 -0.41 116.97 120.71 2kck h TYR 51 Ca 0.16 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 2kck h TYR 51 Cb 0.33 0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.65 2kck h TYR 51 CO 0.02 -0.06 -0.04 -0.91 -1.64 0.00 0.00 178.16 175.53 2kck h ASN 52 N -0.02 0.00 -0.04 -2.11 -0.26 -1.19 -0.49 115.58 111.47 2kck h ASN 52 Ca 0.06 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.80 2kck h ASN 52 Cb 0.10 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.36 2kck h ASN 52 CO -0.12 0.04 0.00 0.18 -1.06 0.00 0.00 177.43 176.46 2kck n LEU 53 N -3.66 0.86 0.00 1.61 4.77 -0.29 -4.80 117.00 115.49 2kck n LEU 53 Ca -0.03 -0.43 0.00 0.00 -0.03 0.00 0.00 56.01 55.52 2kck n LEU 53 Cb 0.14 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 2kck n LEU 53 CO 0.27 0.19 0.00 -0.62 -1.33 0.00 0.00 177.39 175.90 2kck n GLU 54 N -0.13 -0.62 -2.11 3.23 1.02 -0.19 -4.90 120.64 116.95 2kck n GLU 54 Ca 0.02 0.15 -0.40 0.00 -0.02 0.00 0.00 57.16 56.91 2kck n GLU 54 Cb 0.20 -3.72 -0.00 0.00 -0.02 0.00 0.00 31.44 27.89 2kck n GLU 54 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2kck n ARG 55 N -1.48 4.75 -0.28 3.49 1.74 -0.49 -4.72 116.66 119.68 2kck n ARG 55 Ca 0.00 -3.67 0.08 0.00 -0.77 0.00 0.00 57.85 53.49 2kck n ARG 55 Cb 0.15 -2.60 0.32 0.00 -1.02 0.00 0.00 32.46 29.31 2kck n ARG 55 CO 0.00 0.00 0.00 1.88 -1.52 0.00 0.00 177.63 177.99 2kck h TYR 56 N 4.54 0.92 0.08 -1.55 -1.99 -1.78 0.42 116.97 117.61 2kck h TYR 56 Ca 0.68 0.03 -0.00 0.00 2.00 0.00 0.00 58.73 61.43 2kck h TYR 56 Cb 0.31 -0.29 0.00 0.00 2.00 0.00 0.00 36.73 38.74 2kck h TYR 56 CO 1.56 0.40 -0.04 0.93 -0.00 0.00 0.00 178.16 181.01 2kck h GLU 57 N 0.83 -0.10 -0.63 4.88 5.08 -1.95 -2.21 114.58 120.49 2kck h GLU 57 Ca 0.42 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.76 2kck h GLU 57 Cb 0.48 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 2kck h GLU 57 CO -0.18 0.27 0.31 1.49 -1.00 0.00 0.00 179.01 179.90 2kck h GLU 58 N -0.50 0.90 -0.85 2.33 4.81 -1.77 -2.48 114.58 117.03 2kck h GLU 58 Ca -0.01 -0.13 0.06 0.00 -0.13 0.00 0.00 59.36 59.15 2kck h GLU 58 Cb 0.42 -0.16 -0.06 0.00 0.63 0.00 0.00 28.75 29.58 2kck h GLU 58 CO 0.02 0.72 0.52 0.00 -0.73 0.00 0.00 179.01 179.53 2kck h ALA 59 N 1.14 1.17 -0.69 2.92 0.00 -0.18 -0.49 119.26 123.11 2kck h ALA 59 Ca 0.22 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.14 2kck h ALA 59 Cb 0.11 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 2kck h ALA 59 CO -0.03 0.25 0.46 0.28 0.00 0.00 0.00 179.25 180.21 2kck h VAL 60 N 0.94 1.16 -0.67 0.00 2.07 -0.95 -1.55 116.25 117.25 2kck h VAL 60 Ca 0.37 -0.32 0.01 0.00 0.82 0.00 0.00 66.70 67.58 2kck h VAL 60 Cb 0.19 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.09 2kck h VAL 60 CO -0.18 0.17 0.44 0.44 0.02 0.00 0.00 177.57 178.46 2kck h ASP 61 N 0.92 0.77 0.03 0.57 3.32 -0.78 0.11 116.42 121.36 2kck h ASP 61 Ca 0.26 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.29 2kck h ASP 61 Cb -0.07 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.28 2kck h ASP 61 CO -0.06 0.56 -0.01 0.00 -1.72 0.00 0.00 179.24 178.01 2kck h TYR 63 N -0.49 0.84 -0.49 0.00 0.05 -1.11 -1.72 116.97 114.05 2kck h TYR 63 Ca -0.00 0.02 -0.05 0.00 0.05 0.00 0.00 58.73 58.74 2kck h TYR 63 Cb 0.46 -0.28 -0.02 0.00 1.01 0.00 0.00 36.73 37.90 2kck h TYR 63 CO 0.08 0.50 0.08 -0.97 -1.05 0.00 0.00 178.16 176.81 2kck h ASN 64 N 0.89 0.71 -0.60 3.88 -1.24 -0.78 -2.45 115.58 115.99 2kck h ASN 64 Ca 0.27 -0.14 0.02 0.00 0.71 0.00 0.00 56.30 57.16 2kck h ASN 64 Cb -0.04 -0.19 -0.03 0.00 0.73 0.00 0.00 38.32 38.79 2kck h ASN 64 CO -0.08 0.73 0.38 0.22 -1.29 0.00 0.00 177.43 177.38 2kck h TYR 65 N 0.73 0.71 -0.31 0.67 3.20 -0.29 0.46 116.97 122.14 2kck h TYR 65 Ca 0.16 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.00 2kck h TYR 65 Cb 0.33 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 2kck h TYR 65 CO 0.02 0.42 0.00 0.28 -1.64 0.00 0.00 178.16 177.24 2kck h VAL 66 N 0.75 1.18 0.00 1.81 2.07 -0.95 -1.58 116.25 119.54 2kck h VAL 66 Ca 0.23 -0.73 -0.05 0.00 0.82 0.00 0.00 66.70 66.98 2kck h VAL 66 Cb -0.03 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 2kck h VAL 66 CO -0.08 0.25 -0.34 0.40 0.02 0.00 0.00 177.57 177.82 2kck h ILE 67 N 0.46 0.33 0.00 4.57 2.04 -0.92 -3.10 117.51 120.89 2kck h ILE 67 Ca 0.10 -1.48 0.00 0.00 1.00 0.00 0.00 64.86 64.48 2kck h ILE 67 Cb 0.30 2.10 0.00 0.00 -0.74 0.00 0.00 36.82 38.49 2kck h ILE 67 CO 0.01 0.19 0.00 -3.20 0.00 0.00 0.00 178.15 175.14 2kck n ASN 68 N -3.09 0.00 -0.34 1.72 2.85 0.15 -4.18 115.26 112.38 2kck n ASN 68 Ca 0.02 0.00 0.20 0.00 -0.11 0.00 0.00 54.58 54.69 2kck n ASN 68 Cb 0.62 -0.00 0.42 0.00 1.24 0.00 0.00 39.78 42.05 2kck n ASN 68 CO 0.00 0.00 0.00 -0.37 -2.11 0.00 0.00 177.26 174.78 2kck h VAL 69 N 0.00 0.41 -3.61 3.44 -1.51 -1.54 -3.33 116.25 110.12 2kck h VAL 69 Ca 0.00 -0.15 -0.67 0.00 -1.23 0.00 0.00 66.70 64.65 2kck h VAL 69 Cb 0.00 -0.06 -0.25 0.00 -2.13 0.00 0.00 31.29 28.85 2kck h VAL 69 CO 0.00 0.08 -0.61 -0.63 -1.23 0.00 0.00 177.57 175.17 2kck s ILE 70 N -5.74 4.08 -0.22 7.19 1.01 -1.17 -4.96 121.20 121.39 2kck s ILE 70 Ca -0.10 -0.59 0.00 0.00 0.00 0.00 0.00 60.65 59.95 2kck s ILE 70 Cb 0.28 -3.07 0.00 0.00 0.01 0.00 0.00 42.46 39.68 2kck s ILE 70 CO 0.79 0.11 0.45 1.21 0.00 0.00 0.00 174.94 177.50 2kck n GLU 71 N 4.89 0.50 -0.14 2.79 2.13 -1.25 -4.07 120.64 125.49 2kck n GLU 71 Ca -0.15 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.57 2kck n GLU 71 Cb 0.49 -1.25 -0.05 0.00 0.27 0.00 0.00 31.44 30.90 2kck n GLU 71 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 2kck h ASP 72 N 0.89 -1.46 -5.75 4.31 1.82 -1.80 -3.43 116.42 110.98 2kck h ASP 72 Ca 0.00 0.22 -0.38 0.00 -0.39 0.00 0.00 57.03 56.48 2kck h ASP 72 Cb 0.45 0.64 -0.21 0.00 0.68 0.00 0.00 39.33 40.89 2kck h ASP 72 CO 0.00 -0.37 -0.56 -0.62 -1.61 0.00 0.00 179.24 176.08 2kck n GLU 73 N -5.41 -0.86 0.00 0.28 1.02 -1.26 -4.39 120.64 110.01 2kck n GLU 73 Ca -0.01 0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 2kck n GLU 73 Cb 0.35 -2.69 0.00 0.00 -0.02 0.00 0.00 31.44 29.08 2kck n GLU 73 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 2kck n TYR 74 N -2.81 0.00 -1.47 -0.32 4.19 -1.26 -5.08 117.16 110.41 2kck n TYR 74 Ca -0.00 0.00 -0.50 0.00 3.31 0.00 0.00 57.90 60.71 2kck n TYR 74 Cb 0.32 0.00 -0.06 0.00 0.49 0.00 0.00 39.34 40.08 2kck n TYR 74 CO 0.00 0.00 0.00 -1.71 0.91 0.00 0.00 176.86 176.06 2kck n ASN 75 N -0.66 2.31 -0.16 2.98 4.05 -1.26 -4.81 115.26 117.71 2kck n ASN 75 Ca 0.00 0.40 -0.05 0.00 0.45 0.00 0.00 54.58 55.38 2kck n ASN 75 Cb 0.00 -1.30 0.12 0.00 1.23 0.00 0.00 39.78 39.83 2kck n ASN 75 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 177.26 174.32 2kck h LYS 76 N 12.60 0.91 -0.89 1.20 1.79 -1.98 -2.43 116.57 127.77 2kck h LYS 76 Ca -0.30 -0.24 -0.00 0.00 -2.18 0.00 0.00 60.65 57.94 2kck h LYS 76 Cb 1.31 -0.11 -0.04 0.00 -1.58 0.00 0.00 32.23 31.81 2kck h LYS 76 CO 1.01 0.87 0.55 -0.44 -1.08 0.00 0.00 179.45 180.36 2kck h ASP 77 N 0.85 1.05 -0.22 0.86 3.32 -1.95 0.25 116.42 120.57 2kck h ASP 77 Ca 0.17 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.13 2kck h ASP 77 Cb 0.43 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 2kck h ASP 77 CO 0.01 0.79 0.02 0.58 -1.72 0.00 0.00 179.24 178.93 2kck h VAL 78 N 1.21 1.24 -0.20 -1.35 2.07 -1.87 0.83 116.25 118.18 2kck h VAL 78 Ca 0.32 -0.80 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 2kck h VAL 78 Cb -0.08 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 2kck h VAL 78 CO -0.06 0.25 0.04 -0.50 0.02 0.00 0.00 177.57 177.32 2kck h TRP 79 N 0.17 0.35 -0.31 1.57 4.06 -1.13 -0.74 115.95 119.92 2kck h TRP 79 Ca 0.07 -0.05 -0.00 0.00 2.06 0.00 0.00 58.89 60.97 2kck h TRP 79 Cb 0.35 -0.10 -0.02 0.00 -1.00 0.00 0.00 29.16 28.40 2kck h TRP 79 CO 0.03 0.47 0.19 0.00 -3.56 0.00 0.00 178.44 175.57 2kck h ALA 80 N 0.84 0.40 -0.52 1.49 0.00 -0.48 -1.05 119.26 119.94 2kck h ALA 80 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2kck h ALA 80 Cb 0.30 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2kck h ALA 80 CO 0.00 -0.11 0.34 0.00 0.00 0.00 0.00 179.25 179.49 2kck h ALA 81 N 1.09 0.66 -0.56 0.00 0.00 -0.75 -2.14 119.26 117.56 2kck h ALA 81 Ca 0.11 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2kck h ALA 81 Cb -0.01 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 2kck h ALA 81 CO -0.02 0.11 0.28 -0.22 0.00 0.00 0.00 179.25 179.39 2kck h LYS 82 N 0.71 0.78 -0.42 0.00 3.64 -0.84 -2.57 116.57 117.86 2kck h LYS 82 Ca 0.19 -0.09 0.07 0.00 -1.27 0.00 0.00 60.65 59.55 2kck h LYS 82 Cb -0.08 -0.15 -0.06 0.00 -0.41 0.00 0.00 32.23 31.53 2kck h LYS 82 CO -0.04 0.60 0.08 0.00 -2.27 0.00 0.00 179.45 177.82 2kck h ALA 83 N 1.53 0.46 -0.85 5.00 0.00 -0.51 -0.88 119.26 124.00 2kck h ALA 83 Ca 0.20 0.08 0.14 0.00 0.00 0.00 0.00 54.91 55.33 2kck h ALA 83 Cb 0.07 0.11 -0.09 0.00 0.00 0.00 0.00 17.79 17.87 2kck h ALA 83 CO -0.03 -0.32 0.46 0.22 0.00 0.00 0.00 179.25 179.58 2kck h ASP 84 N 0.22 0.58 -0.46 0.00 3.58 -1.31 0.45 116.42 119.48 2kck h ASP 84 Ca 0.20 0.08 -0.08 0.00 0.42 0.00 0.00 57.03 57.65 2kck h ASP 84 Cb 0.25 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.26 2kck h ASP 84 CO -0.26 0.27 -0.01 0.00 -2.88 0.00 0.00 179.24 176.35 2kck h ALA 85 N 1.54 1.01 0.00 -0.78 0.00 -1.20 -2.38 119.26 117.45 2kck h ALA 85 Ca 0.45 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 2kck h ALA 85 Cb 0.59 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2kck h ALA 85 CO -0.33 0.61 -0.23 -0.07 0.00 0.00 0.00 179.25 179.22 2kck h LEU 86 N 0.81 0.00 -1.97 0.00 3.38 0.34 -2.92 115.31 114.96 2kck h LEU 86 Ca 0.15 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 2kck h LEU 86 Cb 0.50 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 2kck h LEU 86 CO 0.02 0.23 -0.00 -0.09 0.09 0.00 0.00 178.44 178.69 2kck h ARG 87 N 0.00 0.00 -1.98 1.13 2.43 0.33 -3.17 114.38 113.11 2kck h ARG 87 Ca -0.00 0.00 -0.52 0.00 -0.81 0.00 0.00 59.98 58.64 2kck h ARG 87 Cb 0.90 0.00 -0.41 0.00 -0.42 0.00 0.00 29.97 30.04 2kck h ARG 87 CO 0.03 0.00 -0.93 0.98 -1.51 0.00 0.00 179.97 178.54 2kck n TYR 88 N -3.10 2.15 -4.74 2.20 9.36 -1.10 -4.86 117.16 117.07 2kck n TYR 88 Ca -0.01 -3.73 -0.25 0.00 3.32 0.00 0.00 57.90 57.23 2kck n TYR 88 Cb 0.23 -0.41 -0.16 0.00 -0.63 0.00 0.00 39.34 38.37 2kck n TYR 88 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 2kck s ILE 89 N -3.61 1.29 0.00 2.97 2.07 -1.20 -4.91 121.20 117.80 2kck s ILE 89 Ca 0.43 -0.65 0.00 0.00 -1.41 0.00 0.00 60.65 59.03 2kck s ILE 89 Cb 0.34 -1.11 0.00 0.00 0.13 0.00 0.00 42.46 41.82 2kck s ILE 89 CO -0.10 0.37 0.00 1.21 -1.91 0.00 0.00 174.94 174.51 2kck n GLU 90 N 3.11 0.00 -3.52 3.50 2.13 -1.26 -4.35 120.64 120.25 2kck n GLU 90 Ca -0.18 0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.67 2kck n GLU 90 Cb 0.53 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.19 2kck n GLU 90 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 2kck s GLY 91 N 0.00 0.60 0.00 8.31 0.00 -1.26 -5.08 107.32 109.89 2kck s GLY 91 Ca 0.00 3.86 0.00 0.00 0.00 0.00 0.00 44.72 48.58 2kck s GLY 91 CO 0.00 2.95 0.00 0.28 0.00 0.00 0.00 173.10 176.33 2kck n LYS 92 N 3.42 0.00 -1.15 2.90 5.02 -1.26 -4.90 118.16 122.19 2kck n LYS 92 Ca -0.14 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.15 2kck n LYS 92 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.57 2kck n LYS 92 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2kck n GLU 93 N 0.00 -3.30 0.00 1.97 4.07 -1.26 -4.69 120.64 117.43 2kck n GLU 93 Ca 0.00 2.46 0.14 0.00 -0.06 0.00 0.00 57.16 59.70 2kck n GLU 93 Cb 0.00 -2.77 0.65 0.00 -0.06 0.00 0.00 31.44 29.26 2kck n GLU 93 CO 0.00 0.00 0.00 1.33 -0.06 0.00 0.00 177.13 178.40 2kck n VAL 94 N -0.89 0.00 -0.06 6.31 0.24 -1.26 -3.96 118.33 118.71 2kck n VAL 94 Ca 0.00 -0.07 -0.09 0.00 -2.04 0.00 0.00 64.34 62.15 2kck n VAL 94 Cb 0.00 -0.11 -0.02 0.00 -1.47 0.00 0.00 33.84 32.24 2kck n VAL 94 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 2kck h GLU 95 N 0.62 0.20 -0.30 7.34 5.08 -1.94 -1.09 114.58 124.48 2kck h GLU 95 Ca 0.00 -0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.44 2kck h GLU 95 Cb 0.32 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2kck h GLU 95 CO 0.00 0.13 0.28 0.00 -1.00 0.00 0.00 179.01 178.42 2kck h ALA 96 N 1.14 2.07 -0.18 3.43 0.00 -1.77 -1.16 119.26 122.79 2kck h ALA 96 Ca 0.10 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2kck h ALA 96 Cb 0.05 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2kck h ALA 96 CO -0.09 -0.43 -0.05 1.49 0.00 0.00 0.00 179.25 180.16 2kck h GLU 97 N 0.00 0.35 -0.50 0.00 4.81 -1.44 1.00 114.58 118.80 2kck h GLU 97 Ca 0.14 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2kck h GLU 97 Cb 0.70 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.04 2kck h GLU 97 CO -0.00 0.62 0.29 0.82 -0.73 0.00 0.00 179.01 180.01 2kck h ILE 98 N 0.05 1.16 -0.15 2.32 5.03 -1.06 0.16 117.51 125.03 2kck h ILE 98 Ca 0.04 -0.37 -0.03 0.00 -0.12 0.00 0.00 64.86 64.38 2kck h ILE 98 Cb 0.50 0.50 -0.00 0.00 -3.03 0.00 0.00 36.82 34.79 2kck h ILE 98 CO 0.02 0.16 -0.02 0.00 -0.68 0.00 0.00 178.15 177.64 2kck h ALA 99 N 1.14 0.20 -0.40 1.87 0.00 -1.40 0.70 119.26 121.36 2kck h ALA 99 Ca 0.18 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.90 2kck h ALA 99 Cb 0.01 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2kck h ALA 99 CO -0.03 -0.07 0.23 1.49 0.00 0.00 0.00 179.25 180.86 2kck h GLU 100 N -0.01 0.46 -0.20 0.00 4.57 -0.62 0.52 114.58 119.29 2kck h GLU 100 Ca 0.04 -0.03 -0.16 0.00 -1.18 0.00 0.00 59.36 58.03 2kck h GLU 100 Cb 0.41 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 2kck h GLU 100 CO 0.01 0.30 -0.49 0.00 -1.18 0.00 0.00 179.01 177.65 2kck h ALA 101 N 1.18 0.33 -0.77 2.92 0.00 -0.62 -3.07 119.26 119.23 2kck h ALA 101 Ca 0.16 -0.49 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 2kck h ALA 101 Cb 0.02 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2kck h ALA 101 CO -0.08 0.50 0.30 -0.09 0.00 0.00 0.00 179.25 179.88 2kck h ARG 102 N 0.39 1.15 -0.21 0.00 2.43 0.69 -0.50 114.38 118.33 2kck h ARG 102 Ca -0.00 -0.21 0.02 0.00 -0.81 0.00 0.00 59.98 58.98 2kck h ARG 102 Cb 1.10 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.44 2kck h ARG 102 CO 0.11 0.94 0.06 0.00 -1.51 0.00 0.00 179.97 179.56 2kck h ALA 103 N 1.20 0.22 -0.32 2.80 0.00 0.05 -2.82 119.26 120.40 2kck h ALA 103 Ca 0.26 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 2kck h ALA 103 Cb 0.22 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2kck h ALA 103 CO -0.02 -0.37 -0.09 0.87 0.00 0.00 0.00 179.25 179.65 2kck h LYS 104 N 0.15 0.62 -5.62 0.00 1.57 -1.42 -3.46 116.57 108.41 2kck h LYS 104 Ca 0.09 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 2kck h LYS 104 Cb 0.07 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.30 2kck h LYS 104 CO -0.11 0.80 -0.90 -0.11 -0.57 0.00 0.00 179.45 178.57 2kck n LEU 105 N -4.45 -5.61 -4.76 2.94 7.94 -0.21 -4.87 117.00 107.99 2kck n LEU 105 Ca -0.03 1.43 -0.38 0.00 -1.11 0.00 0.00 56.01 55.92 2kck n LEU 105 Cb 0.33 -2.48 0.02 0.00 0.53 0.00 0.00 43.42 41.83 2kck n LEU 105 CO 0.41 -3.10 0.92 -1.83 -1.11 0.00 0.00 177.39 172.68 2kck s GLU 106 N -0.69 3.42 0.77 1.96 -1.05 -1.26 -4.96 118.70 116.88 2kck s GLU 106 Ca -0.10 2.04 -0.15 0.00 -0.15 0.00 0.00 54.97 56.61 2kck s GLU 106 Cb 0.01 -2.33 0.05 0.00 -0.44 0.00 0.00 34.13 31.42 2kck s GLU 106 CO 0.42 -0.90 1.13 -2.39 0.95 0.00 0.00 175.26 174.47 2kck n HIS 107 N -0.78 1.14 -3.27 4.83 1.44 -1.26 -5.02 115.22 112.31 2kck n HIS 107 Ca 0.09 0.40 -0.01 0.00 -2.01 0.00 0.00 57.72 56.19 2kck n HIS 107 Cb 0.46 -2.12 0.00 0.00 0.12 0.00 0.00 29.99 28.46 2kck n HIS 107 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 2kck n HIS 108 N -2.90 -0.98 0.00 -1.40 1.44 -1.26 -5.08 115.22 105.04 2kck n HIS 108 Ca 0.14 -0.25 0.00 0.00 -2.01 0.00 0.00 57.72 55.59 2kck n HIS 108 Cb 0.50 0.10 0.00 0.00 0.12 0.00 0.00 29.99 30.71 2kck n HIS 108 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2kck n HIS 109 N -0.07 0.00 -3.15 -1.40 8.25 -1.26 -4.23 115.22 113.36 2kck n HIS 109 Ca -0.01 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.04 2kck n HIS 109 Cb 0.07 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.11 2kck n HIS 109 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2kck s HIS 110 N 0.00 3.17 0.48 4.41 -3.43 -1.26 -5.06 115.29 113.60 2kck s HIS 110 Ca 0.00 0.35 -0.07 0.00 -0.80 0.00 0.00 55.06 54.54 2kck s HIS 110 Cb 0.00 -3.05 -0.04 0.00 -1.43 0.00 0.00 32.58 28.05 2kck s HIS 110 CO 0.00 -0.57 0.81 -3.38 -2.00 0.00 0.00 174.74 169.60 2kck s HIS 111 N 2.61 3.55 -1.90 0.38 -0.00 -1.26 -5.14 115.29 113.53 2kck s HIS 111 Ca 0.23 0.93 0.00 0.00 -0.00 0.00 0.00 55.06 56.22 2kck s HIS 111 Cb -0.15 -2.39 0.00 0.00 -0.00 0.00 0.00 32.58 30.04 2kck s HIS 111 CO 0.14 -0.29 0.47 0.72 -0.00 0.00 0.00 174.74 175.79