#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kkc n ALA 0 N 0.00 2.48 0.00 5.41 0.00 -1.26 -2.68 120.51 124.46 3kkc n ALA 0 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3kkc n ALA 0 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 3kkc n ALA 0 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 3kkc n VAL 2 N 0.32 0.00 -0.02 0.00 3.14 -1.26 -1.28 118.33 119.23 3kkc n VAL 2 Ca 0.00 0.00 -0.17 0.00 -2.96 0.00 0.00 64.34 61.21 3kkc n VAL 2 Cb 0.40 0.00 -0.09 0.00 -1.06 0.00 0.00 33.84 33.09 3kkc n VAL 2 CO 0.00 0.00 0.00 0.11 -6.46 0.00 0.00 176.83 170.48 3kkc h LYS 3 N 0.00 0.56 0.96 1.45 1.57 -1.95 -2.69 116.57 116.48 3kkc h LYS 3 Ca 0.00 -0.48 -0.05 0.00 -1.87 0.00 0.00 60.65 58.25 3kkc h LYS 3 Cb 0.00 0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.43 3kkc h LYS 3 CO 0.00 1.11 -0.46 0.22 -0.57 0.00 0.00 179.45 179.75 3kkc h ASP 4 N 0.17 -1.09 -1.79 0.86 3.58 -1.49 -2.09 116.42 114.56 3kkc h ASP 4 Ca -0.05 0.04 0.53 0.00 0.42 0.00 0.00 57.03 57.97 3kkc h ASP 4 Cb 1.24 0.28 -0.08 0.00 1.72 0.00 0.00 39.33 42.50 3kkc h ASP 4 CO 0.12 -0.77 1.28 -0.09 -2.88 0.00 0.00 179.24 176.90 3kkc h ARG 5 N -1.31 0.01 -0.03 0.28 2.43 -1.83 0.39 114.38 114.31 3kkc h ARG 5 Ca -0.13 -0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 58.96 3kkc h ARG 5 Cb 0.99 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.54 3kkc h ARG 5 CO 0.22 0.00 -0.29 0.37 -1.51 0.00 0.00 179.97 178.77 3kkc h GLN 6 N 0.01 0.24 -0.12 0.20 5.75 -1.04 -2.64 115.11 117.52 3kkc h GLN 6 Ca 0.88 -0.22 -0.14 0.00 -0.15 0.00 0.00 58.65 59.01 3kkc h GLN 6 Cb 3.44 0.05 -0.01 0.00 1.07 0.00 0.00 27.48 32.03 3kkc h GLN 6 CO -0.06 0.91 -0.55 -0.84 -2.65 0.00 0.00 178.83 175.64 3kkc h ILE 7 N -0.34 1.35 -0.60 2.39 -0.00 -0.07 -2.75 117.51 117.49 3kkc h ILE 7 Ca -0.03 -1.84 0.01 0.00 -0.00 0.00 0.00 64.86 63.01 3kkc h ILE 7 Cb 0.98 1.86 -0.03 0.00 -0.00 0.00 0.00 36.82 39.64 3kkc h ILE 7 CO 0.06 0.55 0.40 1.56 -0.00 0.00 0.00 178.15 180.72 3kkc h GLN 8 N 0.27 0.77 0.00 0.16 1.08 -0.48 0.33 115.11 117.24 3kkc h GLN 8 Ca 0.00 -0.05 -0.09 0.00 -1.45 0.00 0.00 58.65 57.06 3kkc h GLN 8 Cb 1.05 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 28.29 3kkc h GLN 8 CO 0.09 0.51 -0.44 0.87 -0.95 0.00 0.00 178.83 178.91 3kkc h LYS 9 N 0.79 0.00 0.13 1.46 1.57 -1.17 -1.43 116.57 117.92 3kkc h LYS 9 Ca 0.22 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.72 3kkc h LYS 9 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.25 3kkc h LYS 9 CO -0.05 0.44 -1.32 1.79 -0.57 0.00 0.00 179.45 179.75 3kkc h THR 10 N 0.00 1.41 -0.42 -0.16 1.35 -1.25 -2.62 112.91 111.22 3kkc h THR 10 Ca -0.00 -2.99 0.05 0.00 -0.55 0.00 0.00 66.41 62.92 3kkc h THR 10 Cb 1.08 2.91 -0.05 0.00 -1.73 0.00 0.00 68.15 70.36 3kkc h THR 10 CO 0.06 0.87 0.14 0.50 -0.25 0.00 0.00 175.52 176.84 3kkc h LYS 11 N 0.07 0.29 0.00 4.72 3.64 -0.62 -1.69 116.57 122.98 3kkc h LYS 11 Ca -0.16 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 3kkc h LYS 11 Cb 1.99 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.74 3kkc h LYS 11 CO 0.20 0.19 0.00 0.28 -2.27 0.00 0.00 179.45 177.85 3kkc h VAL 12 N 0.30 0.00 0.00 2.00 2.07 -1.32 -2.39 116.25 116.91 3kkc h VAL 12 Ca 0.20 -0.63 -0.18 0.00 0.82 0.00 0.00 66.70 66.90 3kkc h VAL 12 Cb 0.20 1.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 3kkc h VAL 12 CO -0.21 0.00 -0.86 0.00 0.02 0.00 0.00 177.57 176.52 3kkc h ALA 13 N 2.01 0.58 0.47 1.67 0.00 -0.93 -2.70 119.26 120.36 3kkc h ALA 13 Ca 0.00 -0.77 -0.02 0.00 0.00 0.00 0.00 54.91 54.12 3kkc h ALA 13 Cb 0.64 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3kkc h ALA 13 CO 0.00 1.05 -0.23 0.82 0.00 0.00 0.00 179.25 180.89 3kkc h ILE 14 N 0.01 0.46 -0.79 0.00 1.08 -0.87 -2.01 117.51 115.39 3kkc h ILE 14 Ca -0.01 -0.39 0.18 0.00 -0.39 0.00 0.00 64.86 64.25 3kkc h ILE 14 Cb 1.51 0.61 -0.14 0.00 -3.07 0.00 0.00 36.82 35.74 3kkc h ILE 14 CO 0.11 0.06 0.01 0.22 -0.69 0.00 0.00 178.15 177.86 3kkc h TYR 15 N -0.89 -0.05 0.00 1.37 3.20 -1.56 0.23 116.97 119.27 3kkc h TYR 15 Ca -0.06 0.06 -0.07 0.00 3.14 0.00 0.00 58.73 61.79 3kkc h TYR 15 Cb 0.58 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.99 3kkc h TYR 15 CO 0.01 -0.26 -0.33 -0.91 -1.64 0.00 0.00 178.16 175.03 3kkc h ASN 16 N 0.10 0.00 -0.28 -2.11 2.35 -1.46 -0.71 115.58 113.46 3kkc h ASN 16 Ca 0.43 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 56.09 3kkc h ASN 16 Cb 0.78 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.14 3kkc h ASN 16 CO -0.70 0.33 -0.18 0.00 -1.65 0.00 0.00 177.43 175.22 3kkc h ALA 17 N 1.67 0.40 0.63 -0.83 0.00 -0.18 -1.72 119.26 119.23 3kkc h ALA 17 Ca -0.00 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 3kkc h ALA 17 Cb 1.19 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 3kkc h ALA 17 CO 0.04 0.32 -0.48 0.35 0.00 0.00 0.00 179.25 179.48 3kkc h PHE 18 N 0.35 -1.31 -0.92 0.00 3.57 -0.40 -1.91 116.94 116.33 3kkc h PHE 18 Ca 0.06 -0.00 0.21 0.00 3.53 0.00 0.00 57.97 61.76 3kkc h PHE 18 Cb 0.72 0.49 -0.07 0.00 2.79 0.00 0.00 35.95 39.88 3kkc h PHE 18 CO 0.07 -0.68 0.61 0.82 -2.23 0.00 0.00 178.31 176.89 3kkc h ILE 19 N -1.08 0.66 -0.52 1.41 2.04 -1.19 -0.57 117.51 118.26 3kkc h ILE 19 Ca -0.08 -0.14 -0.09 0.00 1.00 0.00 0.00 64.86 65.55 3kkc h ILE 19 Cb 0.90 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 3kkc h ILE 19 CO 0.02 0.07 -0.02 -1.28 0.00 0.00 0.00 178.15 176.95 3kkc h SER 20 N 0.41 0.92 0.21 1.72 0.87 -0.85 -2.96 113.55 113.87 3kkc h SER 20 Ca 0.48 -0.31 -0.14 0.00 -1.23 0.00 0.00 61.79 60.59 3kkc h SER 20 Cb 1.20 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.90 3kkc h SER 20 CO -0.19 1.01 -0.53 -0.07 -0.53 0.00 0.00 176.83 176.52 3kkc h LEU 21 N 0.80 0.39 0.00 2.23 3.38 -0.44 -2.99 115.31 118.68 3kkc h LEU 21 Ca 0.15 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3kkc h LEU 21 Cb 0.55 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3kkc h LEU 21 CO 0.03 0.85 0.00 0.18 0.09 0.00 0.00 178.44 179.59 3kkc n LEU 22 N -3.94 0.00 -0.82 1.67 4.77 -0.35 -0.74 117.00 117.59 3kkc n LEU 22 Ca -0.02 0.39 0.13 0.00 -0.03 0.00 0.00 56.01 56.47 3kkc n LEU 22 Cb 0.58 -0.39 0.23 0.00 -2.33 0.00 0.00 43.42 41.51 3kkc n LEU 22 CO 0.45 -0.34 0.71 1.67 -1.33 0.00 0.00 177.39 178.54 3kkc n GLN 23 N -1.39 2.13 0.00 3.23 7.27 -1.13 -4.38 117.38 123.12 3kkc n GLN 23 Ca 0.01 -1.64 0.00 0.00 0.07 0.00 0.00 57.00 55.44 3kkc n GLN 23 Cb 0.03 -1.47 0.00 0.00 2.41 0.00 0.00 30.24 31.22 3kkc n GLN 23 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 3kkc n GLU 24 N 0.99 1.72 -4.24 3.69 -0.58 0.06 -5.05 120.64 117.24 3kkc n GLU 24 Ca 0.16 0.00 -0.22 0.00 -0.42 0.00 0.00 57.16 56.68 3kkc n GLU 24 Cb 0.52 -0.73 -0.12 0.00 -0.57 0.00 0.00 31.44 30.54 3kkc n GLU 24 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 3kkc s ASN 25 N -2.04 2.16 0.65 1.62 0.01 0.08 -5.13 114.94 112.30 3kkc s ASN 25 Ca 0.00 -0.65 -0.17 0.00 -0.71 0.00 0.00 52.86 51.32 3kkc s ASN 25 Cb 0.00 -0.10 -0.00 0.00 0.41 0.00 0.00 41.25 41.55 3kkc s ASN 25 CO 0.00 0.00 1.25 -1.81 -1.51 0.00 0.00 177.10 175.03 3kkc s ASP 26 N -1.82 4.65 0.19 -1.22 -0.00 -1.26 -4.43 116.67 112.78 3kkc s ASP 26 Ca 0.03 2.49 -0.11 0.00 -0.00 0.00 0.00 52.55 54.96 3kkc s ASP 26 Cb -0.10 -2.61 0.21 0.00 -0.00 0.00 0.00 42.92 40.42 3kkc s ASP 26 CO 0.03 -1.97 1.76 0.22 -0.00 0.00 0.00 175.17 175.22 3kkc h TYR 27 N 0.42 0.42 0.00 4.23 3.20 -1.95 -2.90 116.97 120.40 3kkc h TYR 27 Ca -0.50 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.38 3kkc h TYR 27 Cb 1.32 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 39.48 3kkc h TYR 27 CO 0.44 0.16 -0.09 0.77 -1.64 0.00 0.00 178.16 177.80 3kkc h SER 28 N 0.44 0.00 -0.91 -2.11 0.02 -1.99 -2.90 113.55 106.10 3kkc h SER 28 Ca 0.26 0.00 -0.42 0.00 -0.84 0.00 0.00 61.79 60.80 3kkc h SER 28 Cb 0.26 0.00 -0.25 0.00 0.14 0.00 0.00 62.40 62.55 3kkc h SER 28 CO -0.23 0.09 0.53 0.29 -1.14 0.00 0.00 176.83 176.37 3kkc n LYS 29 N -3.51 2.76 -3.77 3.45 5.02 -1.09 -4.89 118.16 116.12 3kkc n LYS 29 Ca -0.02 -3.02 -0.13 0.00 -2.02 0.00 0.00 58.31 53.12 3kkc n LYS 29 Cb 0.23 -2.19 -0.13 0.00 -0.02 0.00 0.00 35.03 32.91 3kkc n LYS 29 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3kkc s ILE 30 N -3.18 -0.03 0.26 -0.18 -4.36 -1.10 -4.85 121.20 107.76 3kkc s ILE 30 Ca 0.56 0.10 0.08 0.00 -0.26 0.00 0.00 60.65 61.14 3kkc s ILE 30 Cb 0.47 -0.27 -0.04 0.00 1.25 0.00 0.00 42.46 43.87 3kkc s ILE 30 CO 0.12 0.04 0.09 0.28 0.24 0.00 0.00 174.94 175.71 3kkc s THR 31 N 0.75 3.91 0.54 8.37 -1.32 -1.26 -5.01 115.64 121.62 3kkc s THR 31 Ca -0.05 -1.67 0.48 0.00 -1.21 0.00 0.00 61.69 59.24 3kkc s THR 31 Cb -0.07 -3.11 0.71 0.00 -1.51 0.00 0.00 72.50 68.53 3kkc s THR 31 CO -0.04 -0.36 1.55 0.52 -2.21 0.00 0.00 174.62 174.07 3kkc n VAL 32 N -1.03 -0.03 -0.17 5.08 0.31 -1.26 -1.16 118.33 120.07 3kkc n VAL 32 Ca -0.07 1.51 -0.08 0.00 -0.01 0.00 0.00 64.34 65.69 3kkc n VAL 32 Cb 0.58 -2.51 0.06 0.00 -0.91 0.00 0.00 33.84 31.07 3kkc n VAL 32 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 3kkc h GLN 33 N 0.00 0.97 -0.31 5.55 -0.00 -2.00 -2.75 115.11 116.58 3kkc h GLN 33 Ca 0.93 -0.32 -0.07 0.00 -0.00 0.00 0.00 58.65 59.19 3kkc h GLN 33 Cb 3.67 -0.08 -0.01 0.00 0.00 0.00 0.00 27.48 31.05 3kkc h GLN 33 CO -0.06 0.99 -0.09 -0.44 0.00 0.00 0.00 178.83 179.24 3kkc h ASP 34 N 0.88 0.61 0.42 -0.69 3.32 -1.55 -2.21 116.42 117.20 3kkc h ASP 34 Ca 0.15 -0.37 -0.01 0.00 0.02 0.00 0.00 57.03 56.82 3kkc h ASP 34 Cb 0.59 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 3kkc h ASP 34 CO 0.04 0.84 -0.41 0.58 -1.72 0.00 0.00 179.24 178.57 3kkc h VAL 35 N 0.37 0.18 -0.97 -1.35 2.07 -1.58 -1.89 116.25 113.07 3kkc h VAL 35 Ca 0.08 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.81 3kkc h VAL 35 Cb 0.58 0.18 -0.09 0.00 -1.52 0.00 0.00 31.29 30.44 3kkc h VAL 35 CO 0.03 0.00 0.62 0.40 0.02 0.00 0.00 177.57 178.64 3kkc h ILE 36 N -0.84 0.66 -0.11 4.57 5.03 -1.52 -2.42 117.51 122.88 3kkc h ILE 36 Ca -0.04 -0.18 -0.13 0.00 -0.12 0.00 0.00 64.86 64.39 3kkc h ILE 36 Cb 0.74 0.08 -0.01 0.00 -3.03 0.00 0.00 36.82 34.60 3kkc h ILE 36 CO -0.06 0.10 -0.49 1.23 -0.68 0.00 0.00 178.15 178.25 3kkc h GLY 37 N 0.54 0.31 0.23 5.37 0.00 -0.71 -2.30 103.07 106.50 3kkc h GLY 37 Ca 0.54 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.54 3kkc h GLY 37 CO -0.27 0.29 -0.73 -0.10 0.00 0.00 0.00 176.54 175.73 3kkc n LEU 38 N -3.96 0.95 -1.24 3.11 7.94 -0.86 -3.35 117.00 119.59 3kkc n LEU 38 Ca -0.02 -0.35 0.09 0.00 -1.11 0.00 0.00 56.01 54.62 3kkc n LEU 38 Cb 0.54 -0.09 0.29 0.00 0.53 0.00 0.00 43.42 44.69 3kkc n LEU 38 CO 0.43 0.22 0.75 0.00 -1.11 0.00 0.00 177.39 177.69 3kkc n ALA 39 N -1.28 2.71 -2.90 1.96 0.00 -0.99 -4.91 120.51 115.11 3kkc n ALA 39 Ca 0.06 -1.51 -0.12 0.00 0.00 0.00 0.00 53.44 51.87 3kkc n ALA 39 Cb 0.35 -0.82 -0.03 0.00 0.00 0.00 0.00 19.45 18.94 3kkc n ALA 39 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3kkc n ASN 40 N 0.91 -0.01 -4.94 0.00 3.02 -0.97 -4.89 115.26 108.38 3kkc n ASN 40 Ca 0.22 -0.43 -0.24 0.00 -0.03 0.00 0.00 54.58 54.10 3kkc n ASN 40 Cb 0.73 -0.53 0.01 0.00 -0.61 0.00 0.00 39.78 39.38 3kkc n ASN 40 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3kkc s VAL 41 N -2.86 1.77 0.35 2.41 0.11 -0.90 -5.06 120.40 116.21 3kkc s VAL 41 Ca 0.10 -1.36 0.05 0.00 -2.93 0.00 0.00 61.98 57.84 3kkc s VAL 41 Cb -0.06 -2.13 -0.01 0.00 -1.53 0.00 0.00 36.38 32.66 3kkc s VAL 41 CO 0.34 0.00 0.50 -0.83 -3.33 0.00 0.00 175.10 171.78 3kkc s GLY 42 N -4.39 1.54 0.15 6.54 0.00 -1.26 -4.64 107.32 105.25 3kkc s GLY 42 Ca 0.41 -1.34 -0.15 0.00 0.00 0.00 0.00 44.72 43.65 3kkc s GLY 42 CO 0.26 -1.25 1.71 -0.09 0.00 0.00 0.00 173.10 173.73 3kkc h ARG 43 N 0.82 0.66 0.12 2.90 2.43 -1.96 -2.86 114.38 116.50 3kkc h ARG 43 Ca -0.47 -0.11 0.02 0.00 -0.81 0.00 0.00 59.98 58.62 3kkc h ARG 43 Cb 1.25 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 30.64 3kkc h ARG 43 CO 0.55 0.58 -0.38 0.77 -1.51 0.00 0.00 179.97 179.97 3kkc h SER 44 N 0.58 -1.12 0.01 -3.80 0.02 -2.00 -2.21 113.55 105.03 3kkc h SER 44 Ca 0.15 0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 61.23 3kkc h SER 44 Cb 0.15 0.42 -0.00 0.00 0.14 0.00 0.00 62.40 63.11 3kkc h SER 44 CO -0.02 -0.46 -0.00 0.71 -1.14 0.00 0.00 176.83 175.92 3kkc h THR 45 N -0.62 0.34 0.67 -2.27 1.35 -1.96 -2.57 112.91 107.85 3kkc h THR 45 Ca 0.03 -0.01 -0.03 0.00 -0.55 0.00 0.00 66.41 65.85 3kkc h THR 45 Cb 0.65 1.00 0.01 0.00 -1.73 0.00 0.00 68.15 68.08 3kkc h THR 45 CO -0.22 0.00 -0.32 0.15 -0.25 0.00 0.00 175.52 174.88 3kkc h PHE 46 N 0.00 -0.83 0.00 4.73 3.57 -1.16 -2.83 116.94 120.41 3kkc h PHE 46 Ca -0.00 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.48 3kkc h PHE 46 Cb 0.00 0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.02 3kkc h PHE 46 CO 0.00 -0.49 0.02 0.66 -2.23 0.00 0.00 178.31 176.27 3kkc n TYR 47 N -5.39 0.34 0.11 0.41 4.01 -1.02 -0.62 117.16 115.00 3kkc n TYR 47 Ca -0.12 0.18 -0.03 0.00 -0.16 0.00 0.00 57.90 57.77 3kkc n TYR 47 Cb 0.37 -0.77 0.08 0.00 -0.31 0.00 0.00 39.34 38.71 3kkc n TYR 47 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3kkc h SER 48 N 0.00 0.00 0.00 7.72 0.87 -1.21 -3.35 113.55 117.58 3kkc h SER 48 Ca 0.00 0.00 -0.38 0.00 -1.23 0.00 0.00 61.79 60.18 3kkc h SER 48 Cb 0.04 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 61.93 3kkc h SER 48 CO 0.00 0.73 -2.40 1.41 -0.53 0.00 0.00 176.83 176.04 3kkc n HIS 49 N -3.64 0.00 -4.87 2.24 8.25 0.21 -5.01 115.22 112.40 3kkc n HIS 49 Ca -0.01 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.18 3kkc n HIS 49 Cb 0.72 -0.94 -0.17 0.00 1.12 0.00 0.00 29.99 30.72 3kkc n HIS 49 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3kkc s TYR 50 N -2.49 1.91 0.00 4.41 2.02 -0.05 -5.05 117.35 118.10 3kkc s TYR 50 Ca -0.33 -0.71 0.00 0.00 -0.37 0.00 0.00 57.07 55.65 3kkc s TYR 50 Cb 0.09 -1.32 0.00 0.00 -0.40 0.00 0.00 41.96 40.33 3kkc s TYR 50 CO 0.55 -0.31 0.77 0.39 -1.57 0.00 0.00 175.55 175.39 3kkc n GLU 51 N 3.57 0.00 -3.50 -0.62 4.71 -1.26 -3.91 120.64 119.64 3kkc n GLU 51 Ca -0.21 0.41 -0.19 0.00 -0.01 0.00 0.00 57.16 57.17 3kkc n GLU 51 Cb 0.52 -1.27 -0.03 0.00 -1.01 0.00 0.00 31.44 29.65 3kkc n GLU 51 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 3kkc n SER 52 N -1.53 2.72 0.14 1.62 3.41 -1.26 -4.82 113.62 113.90 3kkc n SER 52 Ca 0.00 -2.31 0.01 0.00 -0.26 0.00 0.00 58.87 56.31 3kkc n SER 52 Cb 0.00 0.17 0.32 0.00 -0.26 0.00 0.00 64.21 64.45 3kkc n SER 52 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 3kkc h LYS 53 N 0.00 0.14 -0.21 4.33 5.09 -1.98 -3.22 116.57 120.72 3kkc h LYS 53 Ca -0.25 -0.05 0.02 0.00 0.09 0.00 0.00 60.65 60.46 3kkc h LYS 53 Cb 0.77 -0.01 -0.02 0.00 0.10 0.00 0.00 32.23 33.07 3kkc h LYS 53 CO 0.41 0.45 0.07 0.93 -2.09 0.00 0.00 179.45 179.22 3kkc h GLU 54 N 0.12 0.16 0.00 0.07 4.39 -1.99 0.01 114.58 117.36 3kkc h GLU 54 Ca 0.02 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 3kkc h GLU 54 Cb 0.64 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.25 3kkc h GLU 54 CO 0.05 0.11 -0.02 0.28 -1.16 0.00 0.00 179.01 178.26 3kkc h VAL 55 N 0.17 0.10 0.54 3.13 2.07 -1.95 0.50 116.25 120.81 3kkc h VAL 55 Ca 0.09 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 3kkc h VAL 55 Cb 0.06 1.32 0.01 0.00 -1.52 0.00 0.00 31.29 31.16 3kkc h VAL 55 CO -0.10 0.02 -0.26 0.25 0.02 0.00 0.00 177.57 177.51 3kkc h LEU 56 N 0.00 -0.62 -0.93 2.57 5.85 -1.18 -2.34 115.31 118.66 3kkc h LEU 56 Ca -0.00 0.02 0.25 0.00 0.84 0.00 0.00 57.88 58.99 3kkc h LEU 56 Cb 0.32 0.16 -0.13 0.00 0.37 0.00 0.00 40.66 41.38 3kkc h LEU 56 CO 0.00 -0.23 0.43 0.25 -0.34 0.00 0.00 178.44 178.55 3kkc h LEU 57 N -1.15 0.35 -1.27 2.25 5.85 -0.48 0.12 115.31 120.99 3kkc h LEU 57 Ca -0.07 0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.82 3kkc h LEU 57 Cb 0.56 0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.70 3kkc h LEU 57 CO 0.12 -0.04 0.48 0.50 -0.34 0.00 0.00 178.44 179.16 3kkc h LYS 58 N 0.37 0.97 0.07 1.25 3.11 0.02 -1.57 116.57 120.78 3kkc h LYS 58 Ca 0.61 -0.06 -0.29 0.00 -2.81 0.00 0.00 60.65 58.10 3kkc h LYS 58 Cb 1.22 -0.22 -0.02 0.00 -1.00 0.00 0.00 32.23 32.21 3kkc h LYS 58 CO -0.56 0.65 -1.49 0.93 -2.81 0.00 0.00 179.45 176.17 3kkc h GLU 59 N 1.00 0.15 -0.45 1.90 5.08 -0.31 -2.38 114.58 119.57 3kkc h GLU 59 Ca 0.27 -0.25 0.06 0.00 -1.00 0.00 0.00 59.36 58.44 3kkc h GLU 59 Cb -0.10 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.19 3kkc h GLU 59 CO -0.06 0.96 0.14 1.25 -1.00 0.00 0.00 179.01 180.30 3kkc h LEU 60 N 0.04 0.13 -0.21 1.33 6.46 -0.64 -0.25 115.31 122.17 3kkc h LEU 60 Ca -0.21 0.06 -0.06 0.00 -0.12 0.00 0.00 57.88 57.54 3kkc h LEU 60 Cb 1.97 0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 41.95 3kkc h LEU 60 CO 0.13 0.10 -0.11 0.00 -0.62 0.00 0.00 178.44 177.95 3kkc h GLU 62 N 0.14 0.45 -0.11 0.00 5.08 -1.28 -2.22 114.58 116.65 3kkc h GLU 62 Ca 0.05 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 3kkc h GLU 62 Cb 0.61 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 3kkc h GLU 62 CO 0.03 0.30 -0.00 -0.44 -1.00 0.00 0.00 179.01 177.90 3kkc h ASP 63 N 0.47 0.19 0.09 1.42 3.32 -0.75 -1.51 116.42 119.64 3kkc h ASP 63 Ca 0.21 -0.32 0.01 0.00 0.02 0.00 0.00 57.03 56.95 3kkc h ASP 63 Cb 0.12 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 3kkc h ASP 63 CO -0.15 0.46 -0.17 -0.07 -1.72 0.00 0.00 179.24 177.59 3kkc h LEU 64 N -0.09 -0.47 -1.12 1.55 4.07 -0.44 -2.57 115.31 116.23 3kkc h LEU 64 Ca 0.03 0.06 -0.07 0.00 0.08 0.00 0.00 57.88 57.98 3kkc h LEU 64 Cb 0.37 0.18 -0.02 0.00 1.08 0.00 0.00 40.66 42.27 3kkc h LEU 64 CO 0.01 -0.24 -0.13 -0.26 -1.08 0.00 0.00 178.44 176.74 3kkc h PHE 65 N -0.32 0.50 -0.43 1.13 0.04 -1.43 0.91 116.94 117.33 3kkc h PHE 65 Ca 0.03 -0.08 -0.01 0.00 2.80 0.00 0.00 57.97 60.71 3kkc h PHE 65 Cb 0.35 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.34 3kkc h PHE 65 CO -0.18 0.58 0.22 1.25 -0.60 0.00 0.00 178.31 179.59 3kkc h HIS 66 N 0.43 0.58 0.21 -0.55 2.76 -1.10 0.80 115.15 118.28 3kkc h HIS 66 Ca 0.08 -0.01 -0.32 0.00 -2.20 0.00 0.00 60.37 57.93 3kkc h HIS 66 Cb 0.49 -0.19 0.03 0.00 1.55 0.00 0.00 27.41 29.29 3kkc h HIS 66 CO 0.01 0.42 -1.39 1.25 -1.30 0.00 0.00 177.93 176.93 3kkc h HIS 67 N 0.60 0.89 -0.35 5.26 -0.00 -0.66 -1.68 115.15 119.22 3kkc h HIS 67 Ca 0.15 -0.63 -0.10 0.00 -0.00 0.00 0.00 60.37 59.79 3kkc h HIS 67 Cb 0.04 -0.04 -0.02 0.00 -0.00 0.00 0.00 27.41 27.40 3kkc h HIS 67 CO 0.00 1.49 -0.20 -0.07 -0.00 0.00 0.00 177.93 179.15 3kkc h LEU 68 N 0.16 0.66 0.00 0.26 3.38 -0.68 -3.41 115.31 115.68 3kkc h LEU 68 Ca -0.22 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.53 3kkc h LEU 68 Cb 2.09 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.65 3kkc h LEU 68 CO 0.26 0.86 -0.51 0.49 0.09 0.00 0.00 178.44 179.63 3kkc n PHE 69 N -4.13 0.00 0.42 1.13 3.72 0.26 -4.79 117.46 114.06 3kkc n PHE 69 Ca 0.00 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.45 3kkc n PHE 69 Cb 0.40 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.90 3kkc n PHE 69 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3kkc n LYS 70 N -1.01 3.66 -2.85 -1.08 4.01 -0.63 -4.91 118.16 115.36 3kkc n LYS 70 Ca 0.00 -0.12 -0.38 0.00 -0.51 0.00 0.00 58.31 57.30 3kkc n LYS 70 Cb 0.00 -0.95 -0.06 0.00 -0.51 0.00 0.00 35.03 33.51 3kkc n LYS 70 CO 0.00 0.00 0.00 1.14 -1.11 0.00 0.00 177.40 177.43 3kkc s GLN 71 N -1.73 4.61 -1.14 1.97 0.00 -1.25 -4.98 119.66 117.16 3kkc s GLN 71 Ca 0.04 1.28 -0.05 0.00 -0.00 0.00 0.00 55.36 56.63 3kkc s GLN 71 Cb 0.07 -3.02 0.27 0.00 0.00 0.00 0.00 33.01 30.32 3kkc s GLN 71 CO 0.34 0.41 1.64 0.41 0.00 0.00 0.00 175.29 178.09 3kkc n GLY 72 N 1.02 5.16 0.16 2.60 0.00 -1.26 -4.86 105.19 108.01 3kkc n GLY 72 Ca -0.01 -2.50 0.12 0.00 0.00 0.00 0.00 46.02 43.63 3kkc n GLY 72 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3kkc h ARG 73 N 5.38 0.00 -4.39 1.61 3.08 -1.99 -3.46 114.38 114.62 3kkc h ARG 73 Ca 0.29 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 60.12 3kkc h ARG 73 Cb 0.58 0.00 0.11 0.00 0.08 0.00 0.00 29.97 30.74 3kkc h ARG 73 CO 1.41 0.00 -0.50 -3.47 -1.07 0.00 0.00 179.97 176.33 3kkc n ASP 74 N -2.32 -2.21 -4.76 7.04 4.64 -1.26 -5.04 116.55 112.64 3kkc n ASP 74 Ca 0.00 -0.40 -0.29 0.00 -1.38 0.00 0.00 54.79 52.72 3kkc n ASP 74 Cb 0.14 -3.54 -0.07 0.00 -1.04 0.00 0.00 41.12 36.61 3kkc n ASP 74 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 3kkc s VAL 75 N -3.24 1.63 0.41 5.18 -7.23 -1.26 -5.12 120.40 110.77 3kkc s VAL 75 Ca 0.02 -1.84 -0.23 0.00 -1.81 0.00 0.00 61.98 58.13 3kkc s VAL 75 Cb -0.01 -2.47 -0.09 0.00 0.56 0.00 0.00 36.38 34.37 3kkc s VAL 75 CO 0.48 0.00 1.01 0.42 -0.31 0.00 0.00 175.10 176.70 3kkc s THR 76 N -2.77 3.94 0.28 5.32 -4.23 -1.26 -4.86 115.64 112.05 3kkc s THR 76 Ca 0.23 1.40 0.00 0.00 -1.18 0.00 0.00 61.69 62.15 3kkc s THR 76 Cb 0.03 -3.68 0.28 0.00 1.34 0.00 0.00 72.50 70.46 3kkc s THR 76 CO 0.13 -0.07 1.84 0.15 -0.54 0.00 0.00 174.62 176.13 3kkc h PHE 77 N 2.35 1.12 0.00 3.99 3.57 -1.99 0.23 116.94 126.22 3kkc h PHE 77 Ca -0.48 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 60.97 3kkc h PHE 77 Cb 1.21 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 39.58 3kkc h PHE 77 CO 0.59 0.46 -0.39 0.93 -2.23 0.00 0.00 178.31 177.67 3kkc h GLU 78 N 1.00 0.00 0.47 1.11 5.08 -1.99 -0.02 114.58 120.23 3kkc h GLU 78 Ca 0.48 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.82 3kkc h GLU 78 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 3kkc h GLU 78 CO -0.25 0.39 -0.23 0.93 -1.00 0.00 0.00 179.01 178.85 3kkc h GLU 79 N 0.00 -0.61 -0.99 2.33 5.08 -0.95 0.19 114.58 119.63 3kkc h GLU 79 Ca -0.00 0.04 0.10 0.00 -1.00 0.00 0.00 59.36 58.50 3kkc h GLU 79 Cb 0.78 0.14 -0.13 0.00 0.50 0.00 0.00 28.75 30.04 3kkc h GLU 79 CO 0.05 -0.37 -0.55 0.98 -1.00 0.00 0.00 179.01 178.11 3kkc n TYR 80 N -5.34 -0.36 -0.04 4.33 9.36 -0.56 -0.17 117.16 124.37 3kkc n TYR 80 Ca -0.11 1.24 -0.08 0.00 3.32 0.00 0.00 57.90 62.26 3kkc n TYR 80 Cb 0.28 -0.62 -0.03 0.00 -0.63 0.00 0.00 39.34 38.33 3kkc n TYR 80 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 3kkc h LEU 81 N 0.00 -0.18 -1.47 2.98 4.07 -0.98 -2.63 115.31 117.11 3kkc h LEU 81 Ca 0.19 0.06 0.11 0.00 0.08 0.00 0.00 57.88 58.32 3kkc h LEU 81 Cb 0.44 0.12 -0.05 0.00 1.08 0.00 0.00 40.66 42.25 3kkc h LEU 81 CO -0.94 -0.06 0.49 0.58 -1.08 0.00 0.00 178.44 177.42 3kkc h VAL 82 N 0.00 0.90 -0.18 1.22 2.07 0.45 -1.81 116.25 118.90 3kkc h VAL 82 Ca 0.10 -0.20 -0.08 0.00 0.82 0.00 0.00 66.70 67.34 3kkc h VAL 82 Cb 0.14 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.18 3kkc h VAL 82 CO -0.20 0.11 -0.18 -0.74 0.02 0.00 0.00 177.57 176.57 3kkc h HIS 83 N 0.58 0.54 0.38 1.57 -0.00 -0.21 -0.89 115.15 117.12 3kkc h HIS 83 Ca 0.35 -0.16 -0.01 0.00 -0.00 0.00 0.00 60.37 60.54 3kkc h HIS 83 Cb 0.57 -0.11 -0.01 0.00 -0.00 0.00 0.00 27.41 27.86 3kkc h HIS 83 CO -0.00 0.82 -0.24 0.82 -0.00 0.00 0.00 177.93 179.32 3kkc h ILE 84 N 0.10 0.50 -1.03 6.26 2.04 -1.20 -2.07 117.51 122.11 3kkc h ILE 84 Ca 0.03 0.00 0.29 0.00 1.00 0.00 0.00 64.86 66.18 3kkc h ILE 84 Cb 0.73 0.50 -0.13 0.00 -0.74 0.00 0.00 36.82 37.18 3kkc h ILE 84 CO 0.05 0.00 0.61 -0.07 0.00 0.00 0.00 178.15 178.74 3kkc h LEU 85 N -0.59 0.56 -0.58 1.44 -0.00 -1.30 -1.82 115.31 113.02 3kkc h LEU 85 Ca -0.04 0.15 -0.05 0.00 -0.00 0.00 0.00 57.88 57.94 3kkc h LEU 85 Cb 0.49 0.07 -0.02 0.00 -0.00 0.00 0.00 40.66 41.20 3kkc h LEU 85 CO 0.03 -0.00 0.17 0.50 -0.00 0.00 0.00 178.44 179.14 3kkc h LYS 86 N 0.43 0.91 -0.64 1.13 3.64 -0.45 -1.73 116.57 119.86 3kkc h LYS 86 Ca 0.68 -0.21 0.05 0.00 -1.27 0.00 0.00 60.65 59.91 3kkc h LYS 86 Cb 1.51 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 33.16 3kkc h LYS 86 CO -0.50 0.83 0.42 0.45 -2.27 0.00 0.00 179.45 178.39 3kkc h HIS 87 N 0.83 0.68 -0.01 1.91 3.86 -1.03 -2.38 115.15 119.01 3kkc h HIS 87 Ca 0.19 0.02 -0.25 0.00 -1.16 0.00 0.00 60.37 59.16 3kkc h HIS 87 Cb 0.31 -0.23 0.02 0.00 1.06 0.00 0.00 27.41 28.57 3kkc h HIS 87 CO 0.02 0.38 -1.00 0.74 0.86 0.00 0.00 177.93 178.93 3kkc h PHE 88 N 0.69 0.92 -0.73 2.45 0.04 -1.33 0.15 116.94 119.13 3kkc h PHE 88 Ca 0.27 -0.50 -0.05 0.00 2.80 0.00 0.00 57.97 60.49 3kkc h PHE 88 Cb 0.19 -0.11 -0.03 0.00 2.20 0.00 0.00 35.95 38.20 3kkc h PHE 88 CO -0.00 1.33 0.26 1.49 -0.60 0.00 0.00 178.31 180.79 3kkc h GLU 89 N 0.36 1.10 -0.23 1.51 4.81 -0.83 -1.54 114.58 119.75 3kkc h GLU 89 Ca -0.11 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 3kkc h GLU 89 Cb 1.65 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.85 3kkc h GLU 89 CO 0.19 0.91 0.00 1.04 -0.73 0.00 0.00 179.01 180.43 3kkc n GLN 90 N -4.27 1.77 -4.16 1.92 1.13 -0.98 -4.93 117.38 107.86 3kkc n GLN 90 Ca 0.06 -1.17 -0.35 0.00 -1.94 0.00 0.00 57.00 53.59 3kkc n GLN 90 Cb 0.20 -1.36 -0.03 0.00 0.11 0.00 0.00 30.24 29.17 3kkc n GLN 90 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 3kkc n ASN 91 N 0.41 -3.32 -0.22 1.08 5.15 -0.58 -4.81 115.26 112.97 3kkc n ASN 91 Ca 0.15 -0.96 -0.06 0.00 -0.60 0.00 0.00 54.58 53.11 3kkc n ASN 91 Cb 0.32 -2.72 -0.05 0.00 -0.53 0.00 0.00 39.78 36.80 3kkc n ASN 91 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3kkc n GLN 92 N -4.30 -0.23 -2.31 1.20 6.02 0.48 -0.15 117.38 118.08 3kkc n GLN 92 Ca 0.08 1.03 -0.25 0.00 -0.01 0.00 0.00 57.00 57.84 3kkc n GLN 92 Cb 0.49 -1.52 0.01 0.00 1.02 0.00 0.00 30.24 30.24 3kkc n GLN 92 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3kkc n ASP 93 N -4.29 4.74 -1.60 1.08 8.00 -1.26 -4.82 116.55 118.40 3kkc n ASP 93 Ca 0.01 -3.71 -0.18 0.00 0.71 0.00 0.00 54.79 51.62 3kkc n ASP 93 Cb 0.14 -0.41 -0.05 0.00 -0.02 0.00 0.00 41.12 40.77 3kkc n ASP 93 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3kkc n SER 94 N -0.56 -5.19 -0.08 -2.24 7.64 0.78 -4.87 113.62 109.10 3kkc n SER 94 Ca 0.40 0.29 -0.05 0.00 1.01 0.00 0.00 58.87 60.53 3kkc n SER 94 Cb 0.78 -4.26 0.15 0.00 -1.01 0.00 0.00 64.21 59.86 3kkc n SER 94 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 3kkc h ILE 95 N 0.00 1.25 -0.06 0.44 2.10 -1.88 -0.23 117.51 119.13 3kkc h ILE 95 Ca -0.39 -1.14 -0.19 0.00 1.08 0.00 0.00 64.86 64.22 3kkc h ILE 95 Cb 1.22 1.05 -0.00 0.00 -1.09 0.00 0.00 36.82 37.99 3kkc h ILE 95 CO 0.53 0.39 -0.77 0.00 -1.08 0.00 0.00 178.15 177.21 3kkc h ALA 96 N 1.21 0.55 -0.08 0.18 0.00 -1.83 -2.24 119.26 117.05 3kkc h ALA 96 Ca 0.12 -0.63 -0.09 0.00 0.00 0.00 0.00 54.91 54.30 3kkc h ALA 96 Cb 0.57 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3kkc h ALA 96 CO 0.04 0.78 -0.37 1.15 0.00 0.00 0.00 179.25 180.84 3kkc h THR 97 N 0.26 1.29 -0.31 0.00 2.02 -1.78 -1.56 112.91 112.84 3kkc h THR 97 Ca -0.04 -1.38 -0.14 0.00 0.77 0.00 0.00 66.41 65.61 3kkc h THR 97 Cb 1.36 1.64 -0.01 0.00 -1.74 0.00 0.00 68.15 69.40 3kkc h THR 97 CO 0.13 0.41 -0.39 0.25 0.37 0.00 0.00 175.52 176.29 3kkc h LEU 98 N 0.14 0.77 -0.07 2.58 5.85 -0.89 -2.94 115.31 120.74 3kkc h LEU 98 Ca 0.02 -0.34 -0.10 0.00 0.84 0.00 0.00 57.88 58.29 3kkc h LEU 98 Cb 0.73 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.55 3kkc h LEU 98 CO 0.05 1.07 -0.36 0.25 -0.34 0.00 0.00 178.44 179.11 3kkc h LEU 99 N 0.59 0.45 -2.66 2.25 5.85 -1.19 -3.26 115.31 117.34 3kkc h LEU 99 Ca 0.05 -0.65 -0.00 0.00 0.84 0.00 0.00 57.88 58.12 3kkc h LEU 99 Cb 0.93 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.82 3kkc h LEU 99 CO 0.08 1.02 -0.01 -0.07 -0.34 0.00 0.00 178.44 179.13 3kkc h LEU 100 N -0.10 0.00 -0.47 2.25 4.07 -1.34 -2.37 115.31 117.35 3kkc h LEU 100 Ca -0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.94 3kkc h LEU 100 Cb 1.01 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.75 3kkc h LEU 100 CO 0.07 0.01 -0.01 -1.54 -1.08 0.00 0.00 178.44 175.89 3kkc n SER 101 N -3.26 0.75 -2.03 -0.43 3.41 -1.11 -4.90 113.62 106.06 3kkc n SER 101 Ca -0.03 -1.20 -0.17 0.00 -0.26 0.00 0.00 58.87 57.22 3kkc n SER 101 Cb 0.11 -0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 64.02 3kkc n SER 101 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3kkc n ASP 102 N -0.45 -4.80 -4.61 4.04 8.00 -0.89 -4.86 116.55 112.97 3kkc n ASP 102 Ca 0.21 0.22 -0.43 0.00 0.71 0.00 0.00 54.79 55.50 3kkc n ASP 102 Cb 0.24 -4.15 -0.03 0.00 -0.02 0.00 0.00 41.12 37.16 3kkc n ASP 102 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3kkc s ASP 103 N -2.21 5.92 0.37 -2.24 2.15 -1.26 -4.87 116.67 114.52 3kkc s ASP 103 Ca 0.00 1.76 0.14 0.00 0.43 0.00 0.00 52.55 54.88 3kkc s ASP 103 Cb 0.00 -2.52 0.97 0.00 -0.30 0.00 0.00 42.92 41.07 3kkc s ASP 103 CO 0.00 -1.61 1.79 1.55 -0.17 0.00 0.00 175.17 176.73 3kkc h PRO 104 N 12.88 0.51 -0.21 4.34 0.13 -1.95 -1.87 132.00 145.83 3kkc h PRO 104 Ca -0.38 -0.03 -0.06 0.00 -0.87 0.00 0.00 66.00 64.65 3kkc h PRO 104 Cb 1.20 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 3kkc h PRO 104 CO 0.99 0.34 -0.12 -0.92 -0.23 0.00 0.00 178.00 178.05 3kkc h TYR 105 N 0.53 0.53 -0.52 1.56 3.20 -2.00 -2.23 116.97 118.04 3kkc h TYR 105 Ca 0.56 -0.14 -0.07 0.00 3.14 0.00 0.00 58.73 62.23 3kkc h TYR 105 Cb 1.22 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 39.35 3kkc h TYR 105 CO -0.00 0.75 0.07 0.35 -1.64 0.00 0.00 178.16 177.69 3kkc h PHE 106 N 0.15 0.94 -0.45 -3.82 3.57 -1.75 -2.85 116.94 112.74 3kkc h PHE 106 Ca 0.05 -0.14 -0.04 0.00 3.53 0.00 0.00 57.97 61.36 3kkc h PHE 106 Cb 0.62 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 3kkc h PHE 106 CO 0.07 0.85 0.09 1.25 -2.23 0.00 0.00 178.31 178.33 3kkc h LEU 107 N 0.75 0.63 -0.59 0.59 5.85 -1.34 -0.51 115.31 120.70 3kkc h LEU 107 Ca 0.16 -0.10 -0.11 0.00 0.84 0.00 0.00 57.88 58.66 3kkc h LEU 107 Cb 0.43 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 3kkc h LEU 107 CO 0.01 0.64 -0.07 0.25 -0.34 0.00 0.00 178.44 178.93 3kkc h LEU 108 N 0.65 1.04 -0.02 2.25 5.85 -1.22 -1.59 115.31 122.27 3kkc h LEU 108 Ca 0.15 -0.33 -0.26 0.00 0.84 0.00 0.00 57.88 58.28 3kkc h LEU 108 Cb 0.27 -0.28 0.02 0.00 0.37 0.00 0.00 40.66 41.04 3kkc h LEU 108 CO 0.00 1.13 -1.01 0.03 -0.34 0.00 0.00 178.44 178.25 3kkc h ARG 109 N 0.94 0.72 -0.94 1.25 2.47 -1.26 -2.60 114.38 114.95 3kkc h ARG 109 Ca 0.15 -0.74 -0.01 0.00 -1.26 0.00 0.00 59.98 58.12 3kkc h ARG 109 Cb 0.64 0.20 -0.05 0.00 -1.65 0.00 0.00 29.97 29.12 3kkc h ARG 109 CO 0.04 1.32 0.57 0.35 0.56 0.00 0.00 179.97 182.81 3kkc h PHE 110 N 0.42 1.24 -0.14 3.04 3.57 -0.92 -0.27 116.94 123.87 3kkc h PHE 110 Ca -0.12 -0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.22 3kkc h PHE 110 Cb 1.66 -0.41 -0.01 0.00 2.79 0.00 0.00 35.95 39.99 3kkc h PHE 110 CO 0.10 0.82 -0.58 -0.09 -2.23 0.00 0.00 178.31 176.33 3kkc h ARG 111 N 1.29 0.46 -0.04 1.11 2.43 -1.32 0.16 114.38 118.47 3kkc h ARG 111 Ca 0.34 -0.30 -0.17 0.00 -0.81 0.00 0.00 59.98 59.03 3kkc h ARG 111 Cb -0.06 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 3kkc h ARG 111 CO -0.06 0.91 -0.73 1.03 -1.51 0.00 0.00 179.97 179.60 3kkc h SER 112 N 0.34 0.27 0.02 -3.80 0.87 -1.02 0.93 113.55 111.17 3kkc h SER 112 Ca -0.00 -0.19 -0.26 0.00 -1.23 0.00 0.00 61.79 60.11 3kkc h SER 112 Cb 1.12 -0.08 0.02 0.00 -0.44 0.00 0.00 62.40 63.02 3kkc h SER 112 CO 0.10 0.91 -1.02 -0.33 -0.53 0.00 0.00 176.83 175.97 3kkc h GLU 113 N 0.15 0.66 -0.76 2.24 4.39 -0.93 -2.49 114.58 117.85 3kkc h GLU 113 Ca -0.02 -0.73 -0.00 0.00 0.34 0.00 0.00 59.36 58.94 3kkc h GLU 113 Cb 1.30 0.21 -0.04 0.00 -0.10 0.00 0.00 28.75 30.12 3kkc h GLU 113 CO 0.11 1.31 0.47 -0.07 -1.16 0.00 0.00 179.01 179.67 3kkc h LEU 114 N 0.32 0.90 -1.15 1.33 3.38 -0.59 -1.83 115.31 117.67 3kkc h LEU 114 Ca -0.13 -0.05 0.11 0.00 0.09 0.00 0.00 57.88 57.89 3kkc h LEU 114 Cb 1.68 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 42.13 3kkc h LEU 114 CO 0.20 0.69 0.60 -0.08 0.09 0.00 0.00 178.44 179.93 3kkc h GLU 115 N 1.03 0.88 0.04 1.13 4.81 -0.71 0.86 114.58 122.62 3kkc h GLU 115 Ca 0.27 -0.05 -0.29 0.00 -0.13 0.00 0.00 59.36 59.16 3kkc h GLU 115 Cb -0.06 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.09 3kkc h GLU 115 CO -0.05 0.58 -1.56 1.25 -0.73 0.00 0.00 179.01 178.50 3kkc h HIS 116 N 0.91 0.15 0.00 0.92 2.76 -1.06 -3.36 115.15 115.46 3kkc h HIS 116 Ca 0.44 -0.11 0.00 0.00 -2.20 0.00 0.00 60.37 58.51 3kkc h HIS 116 Cb 0.46 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.41 3kkc h HIS 116 CO -0.00 1.16 0.00 -0.25 -1.30 0.00 0.00 177.93 177.54 3kkc n ASP 117 N -3.24 0.24 -0.01 3.26 8.00 -0.72 -4.75 116.55 119.32 3kkc n ASP 117 Ca -0.15 -0.60 -0.02 0.00 0.71 0.00 0.00 54.79 54.74 3kkc n ASP 117 Cb 1.03 0.68 -0.01 0.00 -0.02 0.00 0.00 41.12 42.80 3kkc n ASP 117 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3kkc n VAL 118 N -0.68 0.13 -0.15 2.53 0.31 0.23 -4.81 118.33 115.89 3kkc n VAL 118 Ca 0.00 -0.04 -0.03 0.00 -0.01 0.00 0.00 64.34 64.25 3kkc n VAL 118 Cb 0.01 -0.92 0.05 0.00 -0.91 0.00 0.00 33.84 32.07 3kkc n VAL 118 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 3kkc h TYR 119 N -0.03 0.22 -0.04 3.52 3.20 -1.54 -2.39 116.97 119.92 3kkc h TYR 119 Ca -0.05 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.85 3kkc h TYR 119 Cb 1.07 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.30 3kkc h TYR 119 CO -0.00 0.05 -0.04 -1.35 -1.64 0.00 0.00 178.16 175.18 3kkc h PRO 120 N 0.28 -0.03 -0.49 1.82 0.11 -1.86 0.13 132.00 131.96 3kkc h PRO 120 Ca 0.23 0.00 0.09 0.00 0.11 0.00 0.00 66.00 66.43 3kkc h PRO 120 Cb 0.26 0.01 -0.08 0.00 0.11 0.00 0.00 31.00 31.30 3kkc h PRO 120 CO -0.26 -0.02 0.04 -0.09 -0.21 0.00 0.00 178.00 177.46 3kkc h ARG 121 N -0.03 0.16 -0.24 1.05 9.65 -1.87 -1.46 114.38 121.64 3kkc h ARG 121 Ca 0.01 -0.01 -0.05 0.00 -1.10 0.00 0.00 59.98 58.83 3kkc h ARG 121 Cb 0.04 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.57 3kkc h ARG 121 CO -0.05 0.10 -0.07 1.25 2.80 0.00 0.00 179.97 184.01 3kkc h LEU 122 N 0.16 0.35 0.07 3.80 5.85 -1.14 0.07 115.31 124.47 3kkc h LEU 122 Ca 0.25 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.90 3kkc h LEU 122 Cb 0.36 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.30 3kkc h LEU 122 CO -0.37 0.46 -0.04 -0.09 -0.34 0.00 0.00 178.44 178.06 3kkc h ARG 123 N 0.35 -0.10 -0.50 1.25 2.43 -0.08 -3.00 114.38 114.73 3kkc h ARG 123 Ca 0.07 0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.16 3kkc h ARG 123 Cb 0.35 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 3kkc h ARG 123 CO 0.02 0.21 -0.06 0.93 -1.51 0.00 0.00 179.97 179.55 3kkc h GLU 124 N -0.40 0.88 0.00 0.20 5.08 -0.56 -3.06 114.58 116.72 3kkc h GLU 124 Ca -0.01 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 3kkc h GLU 124 Cb 0.35 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.52 3kkc h GLU 124 CO 0.02 0.92 -1.35 0.39 -1.00 0.00 0.00 179.01 177.99 3kkc n GLU 125 N -4.17 0.30 0.00 2.33 1.02 -0.06 -4.59 120.64 115.47 3kkc n GLU 125 Ca 0.02 -0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 3kkc n GLU 125 Cb 0.35 -1.53 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 3kkc n GLU 125 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3kkc n TYR 126 N -1.88 0.00 -3.86 -0.32 4.02 -1.13 -4.97 117.16 109.02 3kkc n TYR 126 Ca 0.01 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.59 3kkc n TYR 126 Cb 0.44 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.61 3kkc n TYR 126 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3kkc s ILE 127 N -0.17 1.56 0.02 -0.72 1.01 -1.16 -3.00 121.20 118.74 3kkc s ILE 127 Ca 0.00 -1.92 -0.00 0.00 0.00 0.00 0.00 60.65 58.73 3kkc s ILE 127 Cb 0.00 -2.16 0.00 0.00 0.01 0.00 0.00 42.46 40.31 3kkc s ILE 127 CO 0.00 -0.66 0.02 0.41 0.00 0.00 0.00 174.94 174.72 3kkc n THR 128 N 4.48 0.00 -1.50 2.92 -1.04 -0.65 -4.86 114.28 113.62 3kkc n THR 128 Ca 0.01 -0.02 -0.30 0.00 -2.04 0.00 0.00 64.05 61.70 3kkc n THR 128 Cb 0.41 -1.73 -0.18 0.00 -1.82 0.00 0.00 70.33 67.01 3kkc n THR 128 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3kkc n LYS 129 N -1.05 0.06 -3.88 -2.82 4.76 -1.26 -4.92 118.16 109.05 3kkc n LYS 129 Ca 0.00 -0.04 -0.12 0.00 -2.87 0.00 0.00 58.31 55.29 3kkc n LYS 129 Cb 0.01 -1.40 -0.13 0.00 -1.84 0.00 0.00 35.03 31.67 3kkc n LYS 129 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 3kkc s VAL 130 N 4.70 0.02 -0.63 -0.18 -7.23 -1.26 -5.03 120.40 110.79 3kkc s VAL 130 Ca 1.31 -0.14 -0.04 0.00 -1.81 0.00 0.00 61.98 61.30 3kkc s VAL 130 Cb -0.96 -0.07 -0.04 0.00 0.56 0.00 0.00 36.38 35.87 3kkc s VAL 130 CO 0.51 -0.08 1.80 -0.67 -0.31 0.00 0.00 175.10 176.35 3kkc n ASP 131 N 2.84 3.50 -4.07 4.85 2.03 -1.26 -4.82 116.55 119.62 3kkc n ASP 131 Ca -0.14 -2.21 -0.22 0.00 0.52 0.00 0.00 54.79 52.74 3kkc n ASP 131 Cb 0.59 -0.91 -0.15 0.00 -0.72 0.00 0.00 41.12 39.93 3kkc n ASP 131 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3kkc s ILE 132 N 3.75 1.03 0.50 5.18 1.09 -1.26 -5.16 121.20 126.33 3kkc s ILE 132 Ca 0.28 -0.53 -0.13 0.00 -1.10 0.00 0.00 60.65 59.18 3kkc s ILE 132 Cb 0.08 -0.88 -0.06 0.00 -1.06 0.00 0.00 42.46 40.54 3kkc s ILE 132 CO -0.02 0.30 0.92 -2.84 -0.10 0.00 0.00 174.94 173.20 3kkc s PRO 133 N -0.10 3.81 0.13 2.79 0.02 -1.26 -4.96 135.00 135.44 3kkc s PRO 133 Ca 0.01 0.73 -0.07 0.00 0.02 0.00 0.00 61.00 61.69 3kkc s PRO 133 Cb -0.07 -2.21 -0.07 0.00 0.02 0.00 0.00 34.50 32.17 3kkc s PRO 133 CO 0.00 -0.26 1.34 1.49 -0.33 0.00 0.00 177.00 179.25 3kkc h GLU 134 N 0.73 0.55 -0.42 5.54 4.57 -2.00 -0.79 114.58 122.75 3kkc h GLU 134 Ca -0.46 -0.50 0.01 0.00 -1.18 0.00 0.00 59.36 57.24 3kkc h GLU 134 Cb 1.19 0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 29.87 3kkc h GLU 134 CO 0.62 1.12 0.25 0.22 -1.18 0.00 0.00 179.01 180.05 3kkc h ASP 135 N 0.35 0.42 -0.26 1.04 -0.00 -2.00 -0.55 116.42 115.43 3kkc h ASP 135 Ca -0.06 -0.00 -0.06 0.00 -0.00 0.00 0.00 57.03 56.91 3kkc h ASP 135 Cb 1.44 -0.09 -0.01 0.00 -0.00 0.00 0.00 39.33 40.67 3kkc h ASP 135 CO 0.15 0.30 -0.06 0.15 -0.00 0.00 0.00 179.24 179.78 3kkc h PHE 136 N 0.52 0.56 -0.33 0.28 3.57 -1.95 -2.73 116.94 116.85 3kkc h PHE 136 Ca 0.16 -0.12 0.03 0.00 3.53 0.00 0.00 57.97 61.57 3kkc h PHE 136 Cb -0.01 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.56 3kkc h PHE 136 CO -0.07 0.71 0.16 1.25 -2.23 0.00 0.00 178.31 178.14 3kkc h LEU 137 N 0.25 0.23 -0.51 0.59 5.85 -0.87 -0.52 115.31 120.33 3kkc h LEU 137 Ca 0.07 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.81 3kkc h LEU 137 Cb 0.53 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 3kkc h LEU 137 CO 0.03 0.17 0.34 0.50 -0.34 0.00 0.00 178.44 179.13 3kkc h LYS 138 N 0.33 0.66 -0.34 1.25 3.64 -1.11 -1.36 116.57 119.64 3kkc h LYS 138 Ca 0.14 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3kkc h LYS 138 Cb 0.06 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 3kkc h LYS 138 CO -0.10 0.44 0.21 0.37 -2.27 0.00 0.00 179.45 178.09 3kkc h GLN 139 N 0.68 0.46 -0.19 1.90 -0.00 -1.12 -2.35 115.11 114.50 3kkc h GLN 139 Ca 0.19 -0.04 -0.09 0.00 -0.00 0.00 0.00 58.65 58.71 3kkc h GLN 139 Cb -0.07 -0.10 -0.00 0.00 0.00 0.00 0.00 27.48 27.31 3kkc h GLN 139 CO -0.05 0.35 -0.22 0.35 0.00 0.00 0.00 178.83 179.27 3kkc h PHE 140 N 0.44 0.58 0.20 3.99 3.57 -0.79 -2.61 116.94 122.32 3kkc h PHE 140 Ca 0.12 -0.18 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 3kkc h PHE 140 Cb 0.01 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.63 3kkc h PHE 140 CO -0.04 0.86 -0.10 -0.07 -2.23 0.00 0.00 178.31 176.73 3kkc h LEU 141 N 0.14 -0.23 0.12 0.59 4.07 -1.22 -0.76 115.31 118.02 3kkc h LEU 141 Ca 0.03 -0.14 0.02 0.00 0.08 0.00 0.00 57.88 57.87 3kkc h LEU 141 Cb 0.77 0.06 -0.05 0.00 1.08 0.00 0.00 40.66 42.52 3kkc h LEU 141 CO 0.05 0.01 -0.41 -0.07 -1.08 0.00 0.00 178.44 176.94 3kkc h LEU 142 N -0.46 -1.20 -1.12 1.67 -0.00 -1.52 0.61 115.31 113.29 3kkc h LEU 142 Ca -0.03 0.13 -0.00 0.00 -0.00 0.00 0.00 57.88 57.98 3kkc h LEU 142 Cb 0.35 0.45 -0.04 0.00 -0.00 0.00 0.00 40.66 41.43 3kkc h LEU 142 CO 0.05 -0.48 0.50 0.28 -0.00 0.00 0.00 178.44 178.79 3kkc h SER 143 N -0.64 0.97 0.45 -0.43 0.02 -1.47 -1.76 113.55 110.69 3kkc h SER 143 Ca 0.02 -0.05 -0.19 0.00 -0.84 0.00 0.00 61.79 60.73 3kkc h SER 143 Cb 0.67 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 3kkc h SER 143 CO -0.24 0.74 -0.82 0.77 -1.14 0.00 0.00 176.83 176.14 3kkc h SER 144 N 1.12 0.35 0.09 3.07 4.64 -0.92 -0.55 113.55 121.35 3kkc h SER 144 Ca 0.30 -0.26 0.01 0.00 -0.47 0.00 0.00 61.79 61.36 3kkc h SER 144 Cb -0.06 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 61.91 3kkc h SER 144 CO -0.06 1.03 -0.12 0.15 -0.87 0.00 0.00 176.83 176.97 3kkc h PHE 145 N 0.17 -0.30 -0.24 4.77 3.57 -0.39 -1.80 116.94 122.73 3kkc h PHE 145 Ca -0.04 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.42 3kkc h PHE 145 Cb 1.43 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 40.28 3kkc h PHE 145 CO 0.04 -0.18 0.00 0.82 -2.23 0.00 0.00 178.31 176.76 3kkc h ILE 146 N -0.24 1.25 -0.02 1.41 2.04 -1.12 -1.97 117.51 118.86 3kkc h ILE 146 Ca 0.01 -0.89 -0.07 0.00 1.00 0.00 0.00 64.86 64.91 3kkc h ILE 146 Cb 0.25 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 3kkc h ILE 146 CO -0.06 0.28 -0.32 -0.33 0.00 0.00 0.00 178.15 177.72 3kkc h GLU 147 N 0.19 0.04 -0.20 2.37 4.39 -1.14 -0.55 114.58 119.68 3kkc h GLU 147 Ca 0.07 -0.01 -0.18 0.00 0.34 0.00 0.00 59.36 59.58 3kkc h GLU 147 Cb 0.41 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 3kkc h GLU 147 CO 0.01 0.36 -0.56 1.15 -1.16 0.00 0.00 179.01 178.80 3kkc h THR 148 N 0.03 1.30 -0.28 1.13 2.02 -1.13 0.02 112.91 116.00 3kkc h THR 148 Ca 0.00 -1.78 0.06 0.00 0.77 0.00 0.00 66.41 65.46 3kkc h THR 148 Cb 0.59 1.87 -0.08 0.00 -1.74 0.00 0.00 68.15 68.79 3kkc h THR 148 CO 0.04 0.56 -0.34 0.25 0.37 0.00 0.00 175.52 176.41 3kkc h LEU 149 N 0.45 -1.09 -0.07 2.58 5.85 -1.12 0.44 115.31 122.35 3kkc h LEU 149 Ca -0.01 0.18 0.04 0.00 0.84 0.00 0.00 57.88 58.92 3kkc h LEU 149 Cb 1.18 0.49 -0.04 0.00 0.37 0.00 0.00 40.66 42.66 3kkc h LEU 149 CO 0.12 -0.35 -0.17 0.11 -0.34 0.00 0.00 178.44 177.81 3kkc h LYS 150 N -0.33 -0.24 -0.16 1.25 1.57 -1.06 -0.56 116.57 117.04 3kkc h LYS 150 Ca 0.13 0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.98 3kkc h LYS 150 Cb 0.55 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.87 3kkc h LYS 150 CO -0.46 -0.16 -0.13 2.35 -0.57 0.00 0.00 179.45 180.48 3kkc h TRP 151 N -0.25 -0.32 -0.64 -1.35 7.01 -0.85 -2.29 115.95 117.27 3kkc h TRP 151 Ca 0.08 0.02 0.13 0.00 2.11 0.00 0.00 58.89 61.23 3kkc h TRP 151 Cb 0.36 0.17 -0.09 0.00 -2.10 0.00 0.00 29.16 27.49 3kkc h TRP 151 CO -0.26 -0.19 0.13 2.35 -2.79 0.00 0.00 178.44 177.68 3kkc h TRP 152 N -0.14 0.20 0.00 2.65 7.01 -0.66 -1.32 115.95 123.69 3kkc h TRP 152 Ca 0.10 0.04 0.00 0.00 2.11 0.00 0.00 58.89 61.14 3kkc h TRP 152 Cb 0.29 0.01 0.00 0.00 -2.10 0.00 0.00 29.16 27.36 3kkc h TRP 152 CO -0.27 -0.06 0.00 -0.07 -2.79 0.00 0.00 178.44 175.26 3kkc h LEU 153 N 0.25 0.00 0.00 0.65 3.38 -0.65 -2.81 115.31 116.14 3kkc h LEU 153 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 3kkc h LEU 153 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3kkc h LEU 153 CO -0.44 0.00 -0.61 1.41 0.09 0.00 0.00 178.44 178.89 3kkc n HIS 154 N -3.07 0.31 -2.11 1.13 8.25 -0.52 -4.89 115.22 114.32 3kkc n HIS 154 Ca 0.00 0.09 -0.41 0.00 -0.26 0.00 0.00 57.72 57.14 3kkc n HIS 154 Cb 0.28 -0.48 -0.02 0.00 1.12 0.00 0.00 29.99 30.89 3kkc n HIS 154 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 3kkc s GLN 155 N -3.10 4.34 0.45 -0.41 -1.52 -1.06 -4.91 119.66 113.45 3kkc s GLN 155 Ca 0.08 2.20 0.26 0.00 -1.95 0.00 0.00 55.36 55.95 3kkc s GLN 155 Cb 0.15 -3.11 0.61 0.00 -0.22 0.00 0.00 33.01 30.45 3kkc s GLN 155 CO 0.72 -0.26 1.71 -0.09 -0.25 0.00 0.00 175.29 177.12 3kkc h ARG 156 N 4.22 0.00 -2.81 2.91 2.43 -1.90 -3.36 114.38 115.87 3kkc h ARG 156 Ca -0.47 0.00 -0.61 0.00 -0.81 0.00 0.00 59.98 58.09 3kkc h ARG 156 Cb 1.22 0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 30.37 3kkc h ARG 156 CO 0.71 0.00 -0.75 -1.14 -1.51 0.00 0.00 179.97 177.28 3kkc s GLN 157 N -3.31 1.65 0.00 0.20 0.74 -1.26 -5.25 119.66 112.43 3kkc s GLN 157 Ca 0.06 -2.61 0.00 0.00 0.05 0.00 0.00 55.36 52.86 3kkc s GLN 157 Cb 0.06 -2.47 0.00 0.00 1.10 0.00 0.00 33.01 31.71 3kkc s GLN 157 CO 0.63 -1.29 0.00 1.63 -0.55 0.00 0.00 175.29 175.71 3kkc n LYS 158 N 2.63 2.23 -3.45 1.67 5.02 -1.26 -5.19 118.16 119.81 3kkc n LYS 158 Ca 0.21 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 56.17 3kkc n LYS 158 Cb 0.39 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.35 3kkc n LYS 158 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3kkc s THR 160 N 0.00 4.96 0.23 -0.18 -4.23 -1.26 -5.16 115.64 110.00 3kkc s THR 160 Ca 0.00 0.52 -0.01 0.00 -1.18 0.00 0.00 61.69 61.02 3kkc s THR 160 Cb 0.00 -3.65 0.33 0.00 1.34 0.00 0.00 72.50 70.52 3kkc s THR 160 CO 0.00 0.07 1.19 0.52 -0.54 0.00 0.00 174.62 175.86 3kkc n VAL 161 N 0.26 -0.32 0.04 2.29 0.31 -1.26 -1.81 118.33 117.84 3kkc n VAL 161 Ca -0.02 1.70 -0.09 0.00 -0.01 0.00 0.00 64.34 65.91 3kkc n VAL 161 Cb 0.52 -2.44 0.05 0.00 -0.91 0.00 0.00 33.84 31.06 3kkc n VAL 161 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 3kkc h GLU 162 N 0.00 0.42 0.04 5.55 9.09 -1.99 -2.39 114.58 125.30 3kkc h GLU 162 Ca 0.44 -0.32 -0.21 0.00 0.05 0.00 0.00 59.36 59.32 3kkc h GLU 162 Cb 0.85 0.06 0.02 0.00 -1.65 0.00 0.00 28.75 28.03 3kkc h GLU 162 CO -0.73 0.94 -0.86 -0.44 0.05 0.00 0.00 179.01 177.97 3kkc h ASP 163 N 0.30 0.68 -0.59 3.06 3.45 -1.79 -1.86 116.42 119.67 3kkc h ASP 163 Ca -0.02 -0.79 0.08 0.00 0.43 0.00 0.00 57.03 56.72 3kkc h ASP 163 Cb 1.23 -0.21 -0.06 0.00 -0.56 0.00 0.00 39.33 39.73 3kkc h ASP 163 CO 0.12 1.39 0.26 0.25 -1.57 0.00 0.00 179.24 179.69 3kkc h LEU 164 N 0.05 0.31 -0.66 1.55 5.85 -1.43 0.20 115.31 121.18 3kkc h LEU 164 Ca -0.12 0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.61 3kkc h LEU 164 Cb 1.56 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.58 3kkc h LEU 164 CO 0.17 0.20 0.21 0.25 -0.34 0.00 0.00 178.44 178.93 3kkc h LEU 165 N 0.47 0.96 -0.19 2.25 5.85 -1.42 0.23 115.31 123.46 3kkc h LEU 165 Ca 0.28 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 3kkc h LEU 165 Cb 0.29 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 3kkc h LEU 165 CO -0.25 0.91 0.06 0.50 -0.34 0.00 0.00 178.44 179.33 3kkc h LYS 166 N 0.96 0.30 -0.20 1.25 3.11 -0.80 -0.11 116.57 121.08 3kkc h LYS 166 Ca 0.22 -0.06 -0.11 0.00 -2.81 0.00 0.00 60.65 57.88 3kkc h LYS 166 Cb 0.29 -0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 31.46 3kkc h LYS 166 CO -0.01 0.39 -0.36 1.88 -2.81 0.00 0.00 179.45 178.55 3kkc h TYR 167 N 0.14 0.49 0.50 1.91 0.05 -0.81 -1.25 116.97 118.00 3kkc h TYR 167 Ca 0.06 -0.13 -0.02 0.00 0.05 0.00 0.00 58.73 58.69 3kkc h TYR 167 Cb 0.22 -0.11 0.00 0.00 1.01 0.00 0.00 36.73 37.85 3kkc h TYR 167 CO -0.00 0.73 -0.24 -0.92 -1.05 0.00 0.00 178.16 176.68 3kkc h TYR 168 N 0.36 -0.63 -0.13 4.88 3.20 -0.78 -3.12 116.97 120.76 3kkc h TYR 168 Ca 0.04 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.93 3kkc h TYR 168 Cb 0.80 0.21 -0.01 0.00 1.54 0.00 0.00 36.73 39.27 3kkc h TYR 168 CO 0.02 -0.30 0.16 -0.07 -1.64 0.00 0.00 178.16 176.33 3kkc h LEU 169 N -0.95 0.00 -3.68 2.82 3.38 -0.93 -1.41 115.31 114.54 3kkc h LEU 169 Ca -0.07 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.44 3kkc h LEU 169 Cb 0.61 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.15 3kkc h LEU 169 CO 0.11 0.00 0.60 1.07 0.09 0.00 0.00 178.44 180.32 3kkc n THR 170 N -3.70 3.11 0.00 0.22 5.66 -0.48 -1.19 114.28 117.90 3kkc n THR 170 Ca 0.00 -2.14 0.00 0.00 -3.05 0.00 0.00 64.05 58.86 3kkc n THR 170 Cb 0.27 -1.23 0.00 0.00 -1.55 0.00 0.00 70.33 67.81 3kkc n THR 170 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 3kkc n VAL 172 N -0.20 0.00 -2.04 1.08 0.24 -0.53 -4.86 118.33 112.02 3kkc n VAL 172 Ca 0.44 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 62.32 3kkc n VAL 172 Cb 0.65 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.99 3kkc n VAL 172 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 3kkc s GLU 173 N 0.00 4.26 0.00 7.34 2.12 -0.33 -4.87 118.70 127.22 3kkc s GLU 173 Ca 0.00 2.24 0.00 0.00 0.36 0.00 0.00 54.97 57.57 3kkc s GLU 173 Cb 0.00 -3.19 0.00 0.00 0.26 0.00 0.00 34.13 31.20 3kkc s GLU 173 CO 0.00 -0.51 0.00 2.89 -0.54 0.00 0.00 175.26 177.10