#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kck s VAL 2 N 0.00 5.04 -1.35 2.03 1.01 -1.26 -3.78 120.40 122.09 2kck s VAL 2 Ca 0.00 1.45 -0.02 0.00 0.00 0.00 0.00 61.98 63.42 2kck s VAL 2 Cb 0.00 -4.04 0.01 0.00 0.00 0.00 0.00 36.38 32.35 2kck s VAL 2 CO 0.00 0.24 0.68 -0.67 0.00 0.00 0.00 175.10 175.36 2kck n ASP 3 N 3.85 -1.42 0.00 3.32 -0.08 -1.26 -4.76 116.55 116.20 2kck n ASP 3 Ca -0.01 -0.85 0.00 0.00 -1.51 0.00 0.00 54.79 52.42 2kck n ASP 3 Cb 0.51 -3.87 0.00 0.00 2.34 0.00 0.00 41.12 40.10 2kck n ASP 3 CO 0.00 0.00 0.00 1.67 0.12 0.00 0.00 177.20 178.99 2kck n GLN 4 N -4.34 0.64 -1.24 -0.67 7.27 -1.26 -5.09 117.38 112.70 2kck n GLN 4 Ca -0.26 0.00 -0.44 0.00 0.07 0.00 0.00 57.00 56.37 2kck n GLN 4 Cb 0.66 -0.12 -0.12 0.00 2.41 0.00 0.00 30.24 33.07 2kck n GLN 4 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 2kck n ASN 5 N -0.28 0.43 -0.21 1.69 3.02 -1.25 -4.75 115.26 113.91 2kck n ASN 5 Ca 0.00 0.35 0.00 0.00 -0.03 0.00 0.00 54.58 54.90 2kck n ASN 5 Cb 0.00 -0.81 0.00 0.00 -0.61 0.00 0.00 39.78 38.36 2kck n ASN 5 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2kck n PRO 6 N 7.19 0.88 0.22 3.52 -0.04 -1.26 -3.76 135.00 141.75 2kck n PRO 6 Ca 0.55 0.00 0.16 0.00 -0.04 0.00 0.00 63.50 64.16 2kck n PRO 6 Cb 0.00 -1.18 0.70 0.00 -0.04 0.00 0.00 33.50 32.98 2kck n PRO 6 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2kck h GLU 7 N 0.05 0.00 -0.26 0.54 4.39 -2.01 -2.49 114.58 114.80 2kck h GLU 7 Ca 0.00 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.55 2kck h GLU 7 Cb 0.18 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 2kck h GLU 7 CO 0.00 0.00 -0.45 1.49 -1.16 0.00 0.00 179.01 178.89 2kck h GLU 8 N 0.00 0.66 0.00 2.33 4.57 -1.96 -2.80 114.58 117.38 2kck h GLU 8 Ca 0.00 -0.36 -0.01 0.00 -1.18 0.00 0.00 59.36 57.81 2kck h GLU 8 Cb 0.29 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.90 2kck h GLU 8 CO 0.00 0.97 -0.04 1.88 -1.18 0.00 0.00 179.01 180.65 2kck h TYR 9 N 0.53 0.00 0.00 0.92 0.05 -1.76 -2.37 116.97 114.35 2kck h TYR 9 Ca 0.03 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.81 2kck h TYR 9 Cb 0.99 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.73 2kck h TYR 9 CO 0.05 0.04 0.44 0.10 -1.05 0.00 0.00 178.16 177.74 2kck h TYR 10 N 0.00 0.00 -0.57 4.88 -0.00 -1.60 -2.24 116.97 117.43 2kck h TYR 10 Ca -0.00 0.00 0.16 0.00 -0.00 0.00 0.00 58.73 58.89 2kck h TYR 10 Cb 0.11 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 36.82 2kck h TYR 10 CO 0.00 0.00 1.06 1.37 -0.00 0.00 0.00 178.16 180.59 2kck h LEU 11 N 0.00 0.00 -0.10 0.10 8.10 -1.64 0.67 115.31 122.43 2kck h LEU 11 Ca 0.00 0.00 0.02 0.00 0.11 0.00 0.00 57.88 58.01 2kck h LEU 11 Cb 0.88 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 41.09 2kck h LEU 11 CO 0.00 0.00 -0.01 1.05 -4.11 0.00 0.00 178.44 175.37 2kck h GLU 12 N 0.00 0.02 -0.87 0.17 -0.00 -1.70 -2.17 114.58 110.03 2kck h GLU 12 Ca 0.27 -0.00 0.36 0.00 -0.00 0.00 0.00 59.36 59.99 2kck h GLU 12 Cb 2.40 -0.01 -0.16 0.00 -0.00 0.00 0.00 28.75 30.98 2kck h GLU 12 CO -0.00 0.02 0.45 0.41 -0.00 0.00 0.00 179.01 179.88 2kck n GLY 13 N -1.14 -0.68 0.31 1.06 0.00 0.23 0.20 105.19 105.17 2kck n GLY 13 Ca -0.05 0.71 -0.14 0.00 0.00 0.00 0.00 46.02 46.55 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 0.26 -0.39 1.61 2.07 -1.54 -1.69 116.25 116.56 2kck h VAL 14 Ca 0.73 -0.44 0.04 0.00 0.82 0.00 0.00 66.70 67.85 2kck h VAL 14 Cb 1.91 0.37 -0.06 0.00 -1.52 0.00 0.00 31.29 31.99 2kck h VAL 14 CO -0.68 0.04 -0.34 -0.07 0.02 0.00 0.00 177.57 176.55 2kck h LEU 15 N -1.06 -1.18 -0.22 2.57 3.38 -0.22 0.22 115.31 118.80 2kck h LEU 15 Ca -0.07 0.17 0.06 0.00 0.09 0.00 0.00 57.88 58.12 2kck h LEU 15 Cb 0.62 0.50 -0.07 0.00 0.09 0.00 0.00 40.66 41.80 2kck h LEU 15 CO 0.12 -0.19 -0.33 1.56 0.09 0.00 0.00 178.44 179.68 2kck h GLN 16 N -0.13 -0.35 -0.34 1.13 4.20 -0.82 2.52 115.11 121.32 2kck h GLN 16 Ca 0.07 0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.84 2kck h GLN 16 Cb 0.30 0.08 -0.08 0.00 0.30 0.00 0.00 27.48 28.09 2kck h GLN 16 CO -0.44 -0.23 -0.54 -0.92 -0.67 0.00 0.00 178.83 176.02 2kck h TYR 17 N -0.36 -1.66 0.16 2.96 3.20 -0.22 -3.23 116.97 117.82 2kck h TYR 17 Ca 0.12 0.08 -0.01 0.00 3.14 0.00 0.00 58.73 62.06 2kck h TYR 17 Cb 0.55 0.77 0.00 0.00 1.54 0.00 0.00 36.73 39.59 2kck h TYR 17 CO -0.46 -0.49 -0.08 0.22 -1.64 0.00 0.00 178.16 175.71 2kck h ASP 18 N -0.43 -0.18 0.00 -2.11 3.58 -0.12 -3.48 116.42 113.68 2kck h ASP 18 Ca 0.06 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.52 2kck h ASP 18 Cb 0.60 0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.70 2kck h ASP 18 CO -0.55 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 175.81 2kck n ALA 19 N -2.32 0.00 -1.82 -0.78 0.00 0.84 -5.07 120.51 111.36 2kck n ALA 19 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2kck n ALA 19 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.54 2kck n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kck n GLY 20 N 5.00 0.88 3.08 0.00 0.00 -1.17 -4.24 105.19 108.75 2kck n GLY 20 Ca 0.00 -0.04 -0.22 0.00 0.00 0.00 0.00 46.02 45.76 2kck n GLY 20 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2kck n ASN 21 N 0.00 -5.21 0.12 1.61 5.03 -1.26 -1.99 115.26 113.56 2kck n ASN 21 Ca 0.00 -0.29 -0.13 0.00 0.87 0.00 0.00 54.58 55.03 2kck n ASN 21 Cb 0.00 -4.25 -0.08 0.00 -1.02 0.00 0.00 39.78 34.43 2kck n ASN 21 CO 0.00 0.00 0.00 1.88 -1.83 0.00 0.00 177.26 177.31 2kck h TYR 22 N -1.14 -0.23 -0.50 3.10 0.05 -1.96 0.29 116.97 116.57 2kck h TYR 22 Ca -0.48 -0.01 -0.06 0.00 0.05 0.00 0.00 58.73 58.23 2kck h TYR 22 Cb 1.33 0.08 -0.02 0.00 1.01 0.00 0.00 36.73 39.13 2kck h TYR 22 CO 0.59 -0.02 0.10 1.15 -1.05 0.00 0.00 178.16 178.92 2kck h THR 23 N -0.41 1.25 -0.55 -2.88 2.02 -2.00 -3.02 112.91 107.31 2kck h THR 23 Ca -0.03 -0.90 -0.02 0.00 0.77 0.00 0.00 66.41 66.24 2kck h THR 23 Cb 0.32 0.86 -0.03 0.00 -1.74 0.00 0.00 68.15 67.56 2kck h THR 23 CO 0.04 0.32 0.26 -0.33 0.37 0.00 0.00 175.52 176.19 2kck h GLU 24 N 0.71 0.79 -0.46 6.66 4.39 -1.92 -2.08 114.58 122.66 2kck h GLU 24 Ca 0.16 -0.12 0.13 0.00 0.34 0.00 0.00 59.36 59.87 2kck h GLU 24 Cb 0.37 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.86 2kck h GLU 24 CO 0.01 0.65 0.43 0.66 -1.16 0.00 0.00 179.01 179.60 2kck h SER 25 N 0.74 0.00 -0.80 1.42 4.64 -0.30 0.11 113.55 119.36 2kck h SER 25 Ca 0.19 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 61.63 2kck h SER 25 Cb 0.12 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.16 2kck h SER 25 CO -0.02 0.00 0.53 0.40 -0.87 0.00 0.00 176.83 176.86 2kck h ILE 26 N 0.00 0.89 0.20 0.95 2.04 -1.33 0.12 117.51 120.38 2kck h ILE 26 Ca 0.22 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 2kck h ILE 26 Cb 1.08 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 2kck h ILE 26 CO -0.00 0.12 -0.10 -0.78 0.00 0.00 0.00 178.15 177.39 2kck h ASP 27 N 0.65 -0.23 -0.08 1.72 3.58 -0.92 0.32 116.42 121.46 2kck h ASP 27 Ca 0.39 -0.24 0.01 0.00 0.42 0.00 0.00 57.03 57.61 2kck h ASP 27 Cb 0.60 0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.70 2kck h ASP 27 CO -0.15 0.13 0.03 -0.07 -2.88 0.00 0.00 179.24 176.31 2kck h LEU 28 N -0.61 0.04 -0.38 2.28 -0.00 -1.46 -2.65 115.31 112.52 2kck h LEU 28 Ca -0.03 0.01 -0.02 0.00 -0.00 0.00 0.00 57.88 57.84 2kck h LEU 28 Cb 0.45 -0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.09 2kck h LEU 28 CO 0.04 0.04 0.17 0.15 -0.00 0.00 0.00 178.44 178.85 2kck h PHE 29 N 0.08 0.56 -1.13 1.13 3.04 -0.81 -2.45 116.94 117.36 2kck h PHE 29 Ca 0.03 -0.03 0.33 0.00 3.98 0.00 0.00 57.97 62.28 2kck h PHE 29 Cb 0.01 -0.17 -0.11 0.00 2.56 0.00 0.00 35.95 38.24 2kck h PHE 29 CO -0.09 0.48 0.73 1.49 -2.02 0.00 0.00 178.31 178.89 2kck h GLU 30 N 0.48 0.27 -0.35 1.11 4.57 -0.04 0.95 114.58 121.57 2kck h GLU 30 Ca 0.13 -0.02 -0.09 0.00 -1.18 0.00 0.00 59.36 58.21 2kck h GLU 30 Cb 0.14 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.65 2kck h GLU 30 CO -0.01 0.18 -0.15 0.87 -1.18 0.00 0.00 179.01 178.72 2kck h LYS 31 N 0.28 0.63 0.06 1.92 1.57 -1.10 -0.91 116.57 119.02 2kck h LYS 31 Ca 0.68 -0.21 -0.00 0.00 -1.87 0.00 0.00 60.65 59.24 2kck h LYS 31 Cb 1.88 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 34.14 2kck h LYS 31 CO -0.35 0.75 -0.03 0.00 -0.57 0.00 0.00 179.45 179.26 2kck h ALA 32 N 1.27 -0.09 -0.93 3.86 0.00 0.93 -0.74 119.26 123.57 2kck h ALA 32 Ca 0.10 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2kck h ALA 32 Cb 0.58 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 2kck h ALA 32 CO 0.04 -0.38 0.54 0.82 0.00 0.00 0.00 179.25 180.26 2kck h ILE 33 N -0.41 1.26 -0.50 0.00 2.04 -1.29 0.95 117.51 119.55 2kck h ILE 33 Ca -0.01 -0.60 -0.08 0.00 1.00 0.00 0.00 64.86 65.17 2kck h ILE 33 Cb 0.36 -0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.39 2kck h ILE 33 CO 0.01 0.28 0.01 1.56 0.00 0.00 0.00 178.15 180.02 2kck h GLN 34 N 1.29 0.84 -0.19 2.37 1.08 -1.09 0.52 115.11 119.93 2kck h GLN 34 Ca 0.33 -0.23 -0.20 0.00 -1.45 0.00 0.00 58.65 57.11 2kck h GLN 34 Cb -0.02 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.32 2kck h GLN 34 CO -0.06 0.84 -0.66 -0.07 -0.95 0.00 0.00 178.83 177.92 2kck h LEU 35 N 0.78 0.84 -6.16 1.46 3.38 -0.53 -3.42 115.31 111.66 2kck h LEU 35 Ca 0.15 -0.50 -0.26 0.00 0.09 0.00 0.00 57.88 57.36 2kck h LEU 35 Cb 0.46 -0.24 -0.26 0.00 0.09 0.00 0.00 40.66 40.70 2kck h LEU 35 CO 0.02 1.28 -0.60 -0.62 0.09 0.00 0.00 178.44 178.60 2kck s ASP 36 N -7.01 0.10 0.00 -0.43 -1.08 0.27 -4.99 116.67 103.53 2kck s ASP 36 Ca -0.09 -1.37 0.27 0.00 -0.52 0.00 0.00 52.55 50.84 2kck s ASP 36 Cb 0.10 1.08 0.93 0.00 -1.46 0.00 0.00 42.92 43.57 2kck s ASP 36 CO 0.88 -0.21 1.70 -0.81 0.52 0.00 0.00 175.17 177.25 2kck n PRO 37 N 4.18 0.13 0.00 4.34 -0.04 0.15 -3.65 135.00 140.11 2kck n PRO 37 Ca 0.12 -0.05 0.08 0.00 -0.04 0.00 0.00 63.50 63.61 2kck n PRO 37 Cb 0.50 -1.50 0.38 0.00 -0.04 0.00 0.00 33.50 32.84 2kck n PRO 37 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2kck n GLU 38 N -1.39 0.12 -2.88 0.54 2.13 -1.26 -4.61 120.64 113.28 2kck n GLU 38 Ca 0.08 0.17 -0.43 0.00 0.66 0.00 0.00 57.16 57.64 2kck n GLU 38 Cb 0.33 -1.50 -0.05 0.00 0.27 0.00 0.00 31.44 30.49 2kck n GLU 38 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2kck s GLU 39 N -2.78 3.63 0.11 5.31 2.02 -1.24 -4.93 118.70 120.81 2kck s GLU 39 Ca 0.12 0.23 -0.18 0.00 0.02 0.00 0.00 54.97 55.16 2kck s GLU 39 Cb 0.11 -3.87 -0.05 0.00 0.10 0.00 0.00 34.13 30.42 2kck s GLU 39 CO 0.27 -1.05 1.60 1.03 0.02 0.00 0.00 175.26 177.14 2kck h SER 40 N 8.78 0.47 -0.89 -0.19 0.87 -1.94 -2.64 113.55 118.01 2kck h SER 40 Ca -0.24 -0.24 0.23 0.00 -1.23 0.00 0.00 61.79 60.31 2kck h SER 40 Cb 1.08 -0.12 -0.05 0.00 -0.44 0.00 0.00 62.40 62.87 2kck h SER 40 CO 0.97 0.59 0.61 0.11 -0.53 0.00 0.00 176.83 178.58 2kck h LYS 41 N 0.33 0.20 -0.20 2.24 1.57 -1.97 0.27 116.57 119.01 2kck h LYS 41 Ca 0.10 -0.01 -0.16 0.00 -1.87 0.00 0.00 60.65 58.70 2kck h LYS 41 Cb 0.30 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 2kck h LYS 41 CO 0.00 0.13 -0.54 1.88 -0.57 0.00 0.00 179.45 180.36 2kck h TYR 42 N 0.21 0.74 -0.06 -1.35 -1.99 -1.86 -3.02 116.97 109.64 2kck h TYR 42 Ca 0.45 -0.26 -0.15 0.00 2.00 0.00 0.00 58.73 60.77 2kck h TYR 42 Cb 1.41 -0.14 -0.01 0.00 2.00 0.00 0.00 36.73 39.99 2kck h TYR 42 CO -0.00 1.00 -0.62 -1.49 -0.00 0.00 0.00 178.16 177.05 2kck h TRP 43 N 0.46 0.29 -0.79 4.88 4.06 -0.44 -3.14 115.95 121.27 2kck h TRP 43 Ca 0.01 -0.12 0.13 0.00 2.06 0.00 0.00 58.89 60.98 2kck h TRP 43 Cb 1.09 -0.05 -0.09 0.00 -1.00 0.00 0.00 29.16 29.11 2kck h TRP 43 CO 0.05 0.78 0.38 1.25 -3.56 0.00 0.00 178.44 177.35 2kck h LEU 44 N 0.17 0.45 -0.60 -4.49 5.85 -0.98 -0.42 115.31 115.29 2kck h LEU 44 Ca -0.01 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 2kck h LEU 44 Cb 1.13 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.15 2kck h LEU 44 CO 0.10 0.21 0.35 -0.03 -0.34 0.00 0.00 178.44 178.72 2kck h MET 45 N 0.58 0.83 -0.55 1.25 4.05 -1.59 -2.67 114.93 116.83 2kck h MET 45 Ca 0.42 -0.08 0.11 0.00 -0.28 0.00 0.00 59.70 59.87 2kck h MET 45 Cb 0.57 -0.17 -0.09 0.00 -0.80 0.00 0.00 31.60 31.11 2kck h MET 45 CO -0.35 0.61 0.01 -0.22 0.23 0.00 0.00 176.91 177.20 2kck h LYS 46 N 0.82 0.12 -0.33 0.39 1.63 -1.14 -0.80 116.57 117.26 2kck h LYS 46 Ca 0.21 -0.01 0.07 0.00 -0.85 0.00 0.00 60.65 60.07 2kck h LYS 46 Cb 0.01 -0.03 -0.06 0.00 -0.60 0.00 0.00 32.23 31.55 2kck h LYS 46 CO -0.04 0.08 -0.08 0.78 -3.45 0.00 0.00 179.45 176.74 2kck h GLY 47 N 0.13 0.24 0.83 5.01 0.00 -1.12 0.54 103.07 108.70 2kck h GLY 47 Ca 0.28 0.11 0.05 0.00 0.00 0.00 0.00 47.33 47.77 2kck h GLY 47 CO -0.45 -0.13 0.66 0.50 0.00 0.00 0.00 176.54 177.12 2kck h LYS 48 N 0.00 1.21 0.13 4.80 1.57 -1.12 0.13 116.57 123.28 2kck h LYS 48 Ca 0.16 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 2kck h LYS 48 Cb 0.24 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 32.28 2kck h LYS 48 CO -0.34 0.80 -0.06 0.00 -0.57 0.00 0.00 179.45 179.27 2kck h ALA 49 N 1.43 -0.17 -0.88 3.86 0.00 0.15 0.70 119.26 124.34 2kck h ALA 49 Ca 0.41 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2kck h ALA 49 Cb 0.06 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 2kck h ALA 49 CO -0.14 -0.51 0.56 -0.07 0.00 0.00 0.00 179.25 179.08 2kck h LEU 50 N -0.33 1.03 -0.08 0.00 3.38 -0.57 -0.50 115.31 118.24 2kck h LEU 50 Ca -0.02 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2kck h LEU 50 Cb 0.27 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 2kck h LEU 50 CO 0.03 0.77 0.03 0.22 0.09 0.00 0.00 178.44 179.58 2kck h TYR 51 N 1.20 0.12 -0.06 1.13 3.20 -0.61 0.15 116.97 122.10 2kck h TYR 51 Ca 0.32 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.17 2kck h TYR 51 Cb -0.09 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.14 2kck h TYR 51 CO -0.00 0.27 -0.00 -0.91 -1.64 0.00 0.00 178.16 175.87 2kck h ASN 52 N -0.06 0.08 0.00 -2.11 -0.26 -0.53 0.40 115.58 113.10 2kck h ASN 52 Ca 0.02 -0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.76 2kck h ASN 52 Cb 0.20 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 37.44 2kck h ASN 52 CO -0.00 0.10 0.00 0.18 -1.06 0.00 0.00 177.43 176.65 2kck n LEU 53 N -4.48 0.00 -0.78 1.61 4.77 -0.23 -4.83 117.00 113.07 2kck n LEU 53 Ca -0.02 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.88 2kck n LEU 53 Cb 0.12 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.20 2kck n LEU 53 CO 0.35 0.00 -0.09 -0.62 -1.33 0.00 0.00 177.39 175.70 2kck n GLU 54 N -0.62 -0.59 -3.14 3.23 1.02 0.13 -4.96 120.64 115.71 2kck n GLU 54 Ca 0.05 0.53 -0.36 0.00 -0.02 0.00 0.00 57.16 57.36 2kck n GLU 54 Cb 0.02 -4.43 -0.03 0.00 -0.02 0.00 0.00 31.44 26.99 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 -2.14 3.73 -0.37 3.49 5.12 0.50 -4.85 116.66 122.14 2kck n ARG 55 Ca -0.09 -4.63 0.02 0.00 -1.93 0.00 0.00 57.85 51.22 2kck n ARG 55 Cb 0.45 -2.40 0.16 0.00 -1.16 0.00 0.00 32.46 29.51 2kck n ARG 55 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 2kck h TYR 56 N 4.75 1.19 0.02 -1.55 0.05 -1.84 0.31 116.97 119.90 2kck h TYR 56 Ca 0.22 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 59.03 2kck h TYR 56 Cb 0.61 -0.39 0.00 0.00 1.01 0.00 0.00 36.73 37.95 2kck h TYR 56 CO 0.91 0.64 -0.01 1.05 -1.05 0.00 0.00 178.16 179.70 2kck h GLU 57 N 1.19 -0.02 -0.54 4.88 4.11 -1.94 -0.72 114.58 121.54 2kck h GLU 57 Ca 0.42 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.76 2kck h GLU 57 Cb 0.12 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 2kck h GLU 57 CO -0.16 0.09 -0.01 0.93 0.07 0.00 0.00 179.01 179.94 2kck h GLU 58 N -0.13 0.92 -0.18 1.06 4.39 -1.80 -2.32 114.58 116.52 2kck h GLU 58 Ca -0.00 -0.28 0.00 0.00 0.34 0.00 0.00 59.36 59.42 2kck h GLU 58 Cb 0.13 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 2kck h GLU 58 CO 0.00 0.92 0.12 0.00 -1.16 0.00 0.00 179.01 178.90 2kck h ALA 59 N 1.13 0.23 -0.82 3.43 0.00 -0.20 -2.12 119.26 120.92 2kck h ALA 59 Ca 0.16 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.07 2kck h ALA 59 Cb 0.52 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 2kck h ALA 59 CO 0.03 -0.28 0.53 0.28 0.00 0.00 0.00 179.25 179.80 2kck h VAL 60 N 0.24 1.16 -0.77 0.00 2.07 -0.98 -1.13 116.25 116.84 2kck h VAL 60 Ca 0.07 -0.36 0.06 0.00 0.82 0.00 0.00 66.70 67.29 2kck h VAL 60 Cb -0.02 0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 29.71 2kck h VAL 60 CO -0.01 0.19 0.51 -0.78 0.02 0.00 0.00 177.57 177.50 2kck h ASP 61 N 1.06 0.74 -0.10 0.57 3.58 -0.96 0.23 116.42 121.53 2kck h ASP 61 Ca 0.31 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.69 2kck h ASP 61 Cb -0.05 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 40.84 2kck h ASP 61 CO -0.09 0.48 -0.23 0.00 -2.88 0.00 0.00 179.24 176.52 2kck h TYR 63 N -0.12 0.29 -0.37 0.00 5.03 -0.61 -1.37 116.97 119.83 2kck h TYR 63 Ca 0.00 0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.29 2kck h TYR 63 Cb 0.82 -0.10 -0.02 0.00 1.55 0.00 0.00 36.73 38.99 2kck h TYR 63 CO 0.11 0.20 0.12 -0.97 -1.32 0.00 0.00 178.16 176.29 2kck h ASN 64 N 0.30 0.48 -0.23 -2.11 -1.24 -0.61 -2.31 115.58 109.85 2kck h ASN 64 Ca 0.08 -0.06 -0.01 0.00 0.71 0.00 0.00 56.30 57.02 2kck h ASN 64 Cb -0.02 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 38.90 2kck h ASN 64 CO -0.02 0.46 0.09 0.22 -1.29 0.00 0.00 177.43 176.89 2kck h TYR 65 N 0.52 0.36 -0.34 0.67 3.20 -0.64 0.60 116.97 121.34 2kck h TYR 65 Ca 0.13 -0.03 0.07 0.00 3.14 0.00 0.00 58.73 62.03 2kck h TYR 65 Cb 0.16 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.30 2kck h TYR 65 CO 0.01 0.40 0.24 0.28 -1.64 0.00 0.00 178.16 177.44 2kck h VAL 66 N 0.22 0.91 0.00 1.81 2.07 -0.73 -0.94 116.25 119.59 2kck h VAL 66 Ca 0.08 -0.06 -0.17 0.00 0.82 0.00 0.00 66.70 67.37 2kck h VAL 66 Cb 0.19 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 2kck h VAL 66 CO -0.01 0.03 -1.36 0.40 0.02 0.00 0.00 177.57 176.65 2kck h ILE 67 N 0.17 0.55 0.00 4.57 2.04 -1.07 -3.24 117.51 120.53 2kck h ILE 67 Ca 0.16 -2.06 0.00 0.00 1.00 0.00 0.00 64.86 63.96 2kck h ILE 67 Cb 0.41 2.09 0.00 0.00 -0.74 0.00 0.00 36.82 38.57 2kck h ILE 67 CO -0.02 0.31 0.00 -3.20 0.00 0.00 0.00 178.15 175.24 2kck n ASN 68 N -2.93 0.00 -0.32 1.72 2.85 0.21 -4.02 115.26 112.77 2kck n ASN 68 Ca -0.09 0.16 0.14 0.00 -0.11 0.00 0.00 54.58 54.68 2kck n ASN 68 Cb 0.85 -0.00 0.33 0.00 1.24 0.00 0.00 39.78 42.19 2kck n ASN 68 CO 0.00 0.00 0.00 1.62 -2.11 0.00 0.00 177.26 176.77 2kck h VAL 69 N 0.00 0.54 -3.32 3.44 3.04 -1.57 -3.38 116.25 115.00 2kck h VAL 69 Ca 0.00 -0.18 -0.65 0.00 -1.01 0.00 0.00 66.70 64.86 2kck h VAL 69 Cb 0.00 -0.02 -0.25 0.00 -2.01 0.00 0.00 31.29 29.01 2kck h VAL 69 CO 0.00 0.09 -0.73 -0.63 -1.01 0.00 0.00 177.57 175.29 2kck s ILE 70 N -5.85 3.35 -0.78 3.17 1.01 -1.22 -4.99 121.20 115.89 2kck s ILE 70 Ca -0.11 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 59.98 2kck s ILE 70 Cb 0.26 -2.43 0.00 0.00 0.01 0.00 0.00 42.46 40.30 2kck s ILE 70 CO 0.79 0.52 0.57 -1.84 0.00 0.00 0.00 174.94 174.97 2kck n GLU 71 N 3.50 0.94 -2.58 2.79 -0.00 -1.26 -3.67 120.64 120.36 2kck n GLU 71 Ca -0.18 0.00 -0.43 0.00 -0.00 0.00 0.00 57.16 56.55 2kck n GLU 71 Cb 0.53 -1.37 0.00 0.00 -0.00 0.00 0.00 31.44 30.59 2kck n GLU 71 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 2kck n ASP 72 N 0.14 4.92 -0.50 -1.84 -0.08 -1.26 -4.60 116.55 113.33 2kck n ASP 72 Ca 0.00 -2.94 0.11 0.00 -1.51 0.00 0.00 54.79 50.44 2kck n ASP 72 Cb 0.28 -1.66 0.00 0.00 2.34 0.00 0.00 41.12 42.08 2kck n ASP 72 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2kck n GLU 73 N 6.88 1.35 -0.01 -0.67 1.02 -1.26 -4.32 120.64 123.63 2kck n GLU 73 Ca 0.45 -1.02 -0.00 0.00 -0.02 0.00 0.00 57.16 56.57 2kck n GLU 73 Cb 0.43 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.41 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 0.04 0.01 -3.44 -0.32 9.36 -1.26 -4.71 117.16 116.84 2kck n TYR 74 Ca 0.09 -0.26 -0.43 0.00 3.32 0.00 0.00 57.90 60.62 2kck n TYR 74 Cb 0.45 -0.18 -0.08 0.00 -0.63 0.00 0.00 39.34 38.90 2kck n TYR 74 CO 0.00 0.00 0.00 -0.80 0.22 0.00 0.00 176.86 176.28 2kck s ASN 75 N 0.49 6.02 0.23 2.98 0.02 -1.26 -4.94 114.94 118.48 2kck s ASN 75 Ca 0.00 -1.38 -0.08 0.00 -1.02 0.00 0.00 52.86 50.39 2kck s ASN 75 Cb 0.00 -2.13 0.21 0.00 0.02 0.00 0.00 41.25 39.35 2kck s ASN 75 CO 0.00 -0.62 1.89 0.11 0.02 0.00 0.00 177.10 178.49 2kck h LYS 76 N 8.67 1.19 -0.55 -0.60 6.56 -1.95 -1.24 116.57 128.65 2kck h LYS 76 Ca -0.27 -0.10 -0.00 0.00 -1.06 0.00 0.00 60.65 59.22 2kck h LYS 76 Cb 1.10 -0.26 -0.03 0.00 -0.57 0.00 0.00 32.23 32.48 2kck h LYS 76 CO 0.85 0.82 0.34 -0.44 -2.06 0.00 0.00 179.45 178.96 2kck h ASP 77 N 1.21 0.65 0.04 0.86 3.32 -1.96 0.26 116.42 120.81 2kck h ASP 77 Ca 0.32 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.32 2kck h ASP 77 Cb -0.08 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.30 2kck h ASP 77 CO -0.06 0.51 -0.02 0.58 -1.72 0.00 0.00 179.24 178.52 2kck h VAL 78 N 0.75 1.09 -0.24 -1.35 2.07 -1.85 0.88 116.25 117.60 2kck h VAL 78 Ca 0.20 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.29 2kck h VAL 78 Cb -0.04 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 2kck h VAL 78 CO -0.04 0.11 0.16 -0.50 0.02 0.00 0.00 177.57 177.32 2kck h TRP 79 N -0.24 0.31 -0.77 1.57 4.06 -1.06 -2.33 115.95 117.48 2kck h TRP 79 Ca -0.01 0.01 -0.00 0.00 2.06 0.00 0.00 58.89 60.95 2kck h TRP 79 Cb 0.22 -0.10 -0.04 0.00 -1.00 0.00 0.00 29.16 28.24 2kck h TRP 79 CO -0.01 0.20 0.48 0.00 -3.56 0.00 0.00 178.44 175.55 2kck h ALA 80 N 1.08 0.97 -0.57 1.49 0.00 -0.42 -2.51 119.26 119.30 2kck h ALA 80 Ca 0.09 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.00 2kck h ALA 80 Cb -0.03 -0.31 -0.06 0.00 0.00 0.00 0.00 17.79 17.39 2kck h ALA 80 CO -0.02 0.42 0.22 0.00 0.00 0.00 0.00 179.25 179.88 2kck h ALA 81 N 1.26 0.73 -0.91 0.00 0.00 -0.45 -0.63 119.26 119.27 2kck h ALA 81 Ca 0.28 0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.36 2kck h ALA 81 Cb -0.07 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.69 2kck h ALA 81 CO -0.05 -0.18 0.58 -0.22 0.00 0.00 0.00 179.25 179.38 2kck h LYS 82 N 0.42 0.85 -0.34 0.00 3.64 -0.98 -1.97 116.57 118.19 2kck h LYS 82 Ca 0.28 -0.05 0.07 0.00 -1.27 0.00 0.00 60.65 59.68 2kck h LYS 82 Cb 0.31 -0.19 -0.07 0.00 -0.41 0.00 0.00 32.23 31.87 2kck h LYS 82 CO -0.27 0.56 -0.15 0.00 -2.27 0.00 0.00 179.45 177.32 2kck h ALA 83 N 1.56 0.12 -0.89 5.00 0.00 -0.95 0.40 119.26 124.49 2kck h ALA 83 Ca 0.43 0.13 0.17 0.00 0.00 0.00 0.00 54.91 55.63 2kck h ALA 83 Cb 0.45 0.37 -0.10 0.00 0.00 0.00 0.00 17.79 18.51 2kck h ALA 83 CO -0.19 -0.53 0.47 -0.44 0.00 0.00 0.00 179.25 178.56 2kck h ASP 84 N -0.09 0.56 -0.56 0.00 3.32 -1.30 0.92 116.42 119.26 2kck h ASP 84 Ca 0.17 0.10 -0.11 0.00 0.02 0.00 0.00 57.03 57.22 2kck h ASP 84 Cb 0.35 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 2kck h ASP 84 CO -0.40 0.20 -0.06 0.00 -1.72 0.00 0.00 179.24 177.25 2kck h ALA 85 N 1.61 0.80 -0.06 3.45 0.00 -0.97 -2.89 119.26 121.20 2kck h ALA 85 Ca 0.51 -0.34 -0.15 0.00 0.00 0.00 0.00 54.91 54.93 2kck h ALA 85 Cb 0.78 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2kck h ALA 85 CO -0.40 0.67 -0.64 -0.07 0.00 0.00 0.00 179.25 178.81 2kck h LEU 86 N 0.94 0.29 -1.54 0.00 3.38 0.11 -2.84 115.31 115.65 2kck h LEU 86 Ca 0.15 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2kck h LEU 86 Cb 0.63 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2kck h LEU 86 CO 0.04 0.85 0.00 -0.09 0.09 0.00 0.00 178.44 179.33 2kck h ARG 87 N 0.18 0.00 -1.98 1.13 2.43 0.96 -3.06 114.38 114.04 2kck h ARG 87 Ca -0.01 0.00 -0.49 0.00 -0.81 0.00 0.00 59.98 58.67 2kck h ARG 87 Cb 1.17 0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 30.32 2kck h ARG 87 CO 0.10 0.00 -1.14 0.66 -1.51 0.00 0.00 179.97 178.08 2kck n TYR 88 N -2.45 0.66 -4.45 2.20 4.01 -1.08 -5.06 117.16 110.99 2kck n TYR 88 Ca -0.01 -3.79 -0.21 0.00 -0.16 0.00 0.00 57.90 53.73 2kck n TYR 88 Cb 0.10 -0.42 -0.14 0.00 -0.31 0.00 0.00 39.34 38.57 2kck n TYR 88 CO 0.00 0.00 0.00 -1.50 -0.46 0.00 0.00 176.86 174.90 2kck s ILE 89 N -2.70 1.23 0.37 -0.72 2.07 -1.16 -4.88 121.20 115.42 2kck s ILE 89 Ca 0.40 -1.00 -0.28 0.00 -1.41 0.00 0.00 60.65 58.37 2kck s ILE 89 Cb 0.35 -1.10 -0.11 0.00 0.13 0.00 0.00 42.46 41.73 2kck s ILE 89 CO -0.08 0.08 1.45 -1.84 -1.91 0.00 0.00 174.94 172.64 2kck n GLU 90 N 1.98 2.57 -1.58 3.50 0.28 -1.26 -3.78 120.64 122.35 2kck n GLU 90 Ca -0.17 0.90 -0.01 0.00 -0.16 0.00 0.00 57.16 57.72 2kck n GLU 90 Cb 0.54 -2.60 0.00 0.00 1.43 0.00 0.00 31.44 30.81 2kck n GLU 90 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2kck n GLY 91 N 0.58 0.79 3.72 -1.84 0.00 -1.26 -5.00 105.19 102.18 2kck n GLY 91 Ca 0.02 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 2kck n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kck s LYS 92 N -3.06 4.39 0.00 1.61 1.02 -1.25 -4.89 119.74 117.56 2kck s LYS 92 Ca 0.02 1.95 0.00 0.00 0.02 0.00 0.00 55.97 57.96 2kck s LYS 92 Cb -0.00 -3.27 0.00 0.00 -0.52 0.00 0.00 37.83 34.04 2kck s LYS 92 CO 0.03 -0.30 0.00 0.39 -0.92 0.00 0.00 175.35 174.55 2kck n GLU 93 N 3.53 0.00 0.00 1.68 -0.58 -1.26 -5.03 120.64 118.98 2kck n GLU 93 Ca 0.09 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.83 2kck n GLU 93 Cb 0.44 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.31 2kck n GLU 93 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 2kck n VAL 94 N -0.09 0.04 0.13 2.62 0.24 -1.26 -4.87 118.33 115.14 2kck n VAL 94 Ca 0.00 -0.07 -0.14 0.00 -2.04 0.00 0.00 64.34 62.10 2kck n VAL 94 Cb 0.00 1.46 -0.08 0.00 -1.47 0.00 0.00 33.84 33.75 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 0.00 -0.26 -0.91 7.34 5.08 -1.93 0.11 114.58 124.01 2kck h GLU 95 Ca 0.00 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.40 2kck h GLU 95 Cb 0.69 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.95 2kck h GLU 95 CO 0.00 -0.11 0.60 0.00 -1.00 0.00 0.00 179.01 178.50 2kck h ALA 96 N 0.44 1.40 0.06 3.43 0.00 -1.90 0.29 119.26 122.99 2kck h ALA 96 Ca -0.03 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2kck h ALA 96 Cb 0.27 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2kck h ALA 96 CO 0.04 0.52 -0.03 1.49 0.00 0.00 0.00 179.25 181.28 2kck h GLU 97 N 1.17 -0.08 -0.58 0.00 4.81 -1.83 0.14 114.58 118.20 2kck h GLU 97 Ca 0.35 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.57 2kck h GLU 97 Cb -0.03 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 2kck h GLU 97 CO -0.10 0.25 0.30 0.82 -0.73 0.00 0.00 179.01 179.56 2kck h ILE 98 N -0.42 1.20 0.27 2.32 2.04 -0.50 0.10 117.51 122.52 2kck h ILE 98 Ca -0.01 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.32 2kck h ILE 98 Cb 0.37 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 2kck h ILE 98 CO 0.01 0.22 -0.13 0.00 0.00 0.00 0.00 178.15 178.25 2kck h ALA 99 N 1.13 -0.36 -0.83 1.87 0.00 -0.39 1.23 119.26 121.92 2kck h ALA 99 Ca 0.20 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.02 2kck h ALA 99 Cb 0.07 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 2kck h ALA 99 CO -0.03 -0.61 0.52 1.49 0.00 0.00 0.00 179.25 180.62 2kck h GLU 100 N -0.56 0.94 -0.02 0.00 4.81 -0.63 0.72 114.58 119.85 2kck h GLU 100 Ca -0.04 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.11 2kck h GLU 100 Cb 0.41 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.58 2kck h GLU 100 CO 0.06 0.63 -0.10 0.00 -0.73 0.00 0.00 179.01 178.87 2kck h ALA 101 N 1.37 0.04 -0.81 2.92 0.00 -0.67 -3.06 119.26 119.05 2kck h ALA 101 Ca 0.35 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2kck h ALA 101 Cb 0.10 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 2kck h ALA 101 CO -0.15 -0.06 0.45 -0.09 0.00 0.00 0.00 179.25 179.40 2kck h ARG 102 N -0.51 1.12 -0.99 0.00 2.43 0.18 -2.38 114.38 114.23 2kck h ARG 102 Ca -0.01 -0.12 0.03 0.00 -0.81 0.00 0.00 59.98 59.07 2kck h ARG 102 Cb 0.76 -0.22 -0.05 0.00 -0.42 0.00 0.00 29.97 30.03 2kck h ARG 102 CO 0.02 0.82 0.65 0.00 -1.51 0.00 0.00 179.97 179.95 2kck h ALA 103 N 1.36 1.33 -0.70 2.80 0.00 0.41 -1.86 119.26 122.60 2kck h ALA 103 Ca 0.29 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 2kck h ALA 103 Cb 0.02 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.40 2kck h ALA 103 CO -0.05 0.59 0.29 0.87 0.00 0.00 0.00 179.25 180.96 2kck h LYS 104 N 1.29 1.02 -5.17 0.00 1.79 -1.32 -3.41 116.57 110.78 2kck h LYS 104 Ca 0.38 -0.16 -0.29 0.00 -2.18 0.00 0.00 60.65 58.40 2kck h LYS 104 Cb -0.06 -0.18 -0.07 0.00 -1.58 0.00 0.00 32.23 30.35 2kck h LYS 104 CO -0.11 0.82 1.35 -0.11 -1.08 0.00 0.00 179.45 180.32 2kck n LEU 105 N -4.31 0.19 0.00 2.94 0.00 -0.70 -4.65 117.00 110.47 2kck n LEU 105 Ca 0.06 -0.71 0.00 0.00 0.00 0.00 0.00 56.01 55.36 2kck n LEU 105 Cb 0.17 -1.04 0.00 0.00 0.00 0.00 0.00 43.42 42.54 2kck n LEU 105 CO 0.40 -1.70 0.00 1.21 0.00 0.00 0.00 177.39 177.30 2kck n GLU 106 N 7.34 0.00 -1.97 1.96 2.13 -1.26 -5.04 120.64 123.80 2kck n GLU 106 Ca 0.58 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 58.08 2kck n GLU 106 Cb 0.25 -0.07 0.01 0.00 0.27 0.00 0.00 31.44 31.90 2kck n GLU 106 CO 0.00 0.00 0.00 -3.38 -0.41 0.00 0.00 177.13 173.34 2kck s HIS 107 N -0.22 3.25 0.09 4.31 -3.43 -1.26 -4.97 115.29 113.07 2kck s HIS 107 Ca 0.00 1.44 0.00 0.00 -0.80 0.00 0.00 55.06 55.70 2kck s HIS 107 Cb 0.00 -2.87 0.00 0.00 -1.43 0.00 0.00 32.58 28.28 2kck s HIS 107 CO 0.00 -0.89 0.00 1.58 -2.00 0.00 0.00 174.74 173.43 2kck n HIS 108 N -2.36 -2.04 0.00 0.38 -0.00 -1.26 -5.08 115.22 104.86 2kck n HIS 108 Ca 0.07 0.27 0.00 0.00 0.46 0.00 0.00 57.72 58.52 2kck n HIS 108 Cb 0.54 1.00 0.00 0.00 -0.12 0.00 0.00 29.99 31.41 2kck n HIS 108 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2kck n HIS 109 N -2.72 0.00 0.00 1.57 8.25 -1.26 -4.73 115.22 116.33 2kck n HIS 109 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2kck n HIS 109 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2kck n HIS 109 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2kck n HIS 110 N 0.00 0.00 -2.45 4.41 -0.00 -1.26 -4.82 115.22 111.10 2kck n HIS 110 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.72 57.70 2kck n HIS 110 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 29.98 2kck n HIS 110 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kck n HIS 111 N 0.00 -3.54 0.00 1.57 -0.00 -1.26 -5.37 115.22 106.62 2kck n HIS 111 Ca 0.00 2.09 0.00 0.00 -0.00 0.00 0.00 57.72 59.81 2kck n HIS 111 Cb 0.00 -3.15 0.00 0.00 -0.00 0.00 0.00 29.99 26.84 2kck n HIS 111 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06