#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k1i h PRO 20 N 0.00 0.00 0.00 4.33 0.11 -2.06 -0.52 132.00 133.87 3k1i h PRO 20 Ca 0.00 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.96 3k1i h PRO 20 Cb 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 3k1i h PRO 20 CO 0.00 0.00 -0.72 0.00 -0.21 0.00 0.00 178.00 177.07 3k1i h ALA 21 N 1.00 0.57 -0.45 -0.75 0.00 -2.02 -1.69 119.26 115.91 3k1i h ALA 21 Ca 0.39 -0.66 -0.13 0.00 0.00 0.00 0.00 54.91 54.51 3k1i h ALA 21 Cb 2.14 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.80 3k1i h ALA 21 CO -0.00 0.91 -0.23 1.57 0.00 0.00 0.00 179.25 181.49 3k1i h LYS 22 N 0.00 0.94 0.00 0.00 2.10 -1.52 -2.81 116.57 115.29 3k1i h LYS 22 Ca -0.01 -0.41 -0.00 0.00 -2.00 0.00 0.00 60.65 58.24 3k1i h LYS 22 Cb 1.51 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.81 3k1i h LYS 22 CO 0.09 1.07 -0.00 1.25 -2.00 0.00 0.00 179.45 179.86 3k1i h LEU 23 N 0.81 -0.00 -0.73 7.07 7.12 -1.61 -0.06 115.31 127.91 3k1i h LEU 23 Ca 0.10 -0.68 0.16 0.00 0.13 0.00 0.00 57.88 57.60 3k1i h LEU 23 Cb 0.80 0.00 -0.12 0.00 -0.53 0.00 0.00 40.66 40.81 3k1i h LEU 23 CO 0.07 0.68 0.06 0.40 -0.13 0.00 0.00 178.44 179.51 3k1i h ILE 24 N -0.68 0.41 -0.33 4.05 2.04 -1.39 0.57 117.51 122.17 3k1i h ILE 24 Ca -0.00 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.81 3k1i h ILE 24 Cb 0.68 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 3k1i h ILE 24 CO 0.00 0.03 0.21 -0.08 0.00 0.00 0.00 178.15 178.31 3k1i h GLU 25 N 0.15 0.44 -0.29 2.37 4.81 -1.48 -1.52 114.58 119.07 3k1i h GLU 25 Ca 0.40 -0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.67 3k1i h GLU 25 Cb 0.70 -0.10 -0.08 0.00 0.63 0.00 0.00 28.75 29.91 3k1i h GLU 25 CO -0.60 0.30 -0.31 1.98 -0.73 0.00 0.00 179.01 179.65 3k1i h MET 26 N 0.44 -0.28 -0.21 1.92 4.05 0.18 -0.57 114.93 120.46 3k1i h MET 26 Ca 0.12 0.02 0.04 0.00 -0.28 0.00 0.00 59.70 59.60 3k1i h MET 26 Cb -0.04 0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 30.79 3k1i h MET 26 CO -0.03 -0.19 -0.01 -0.07 0.23 0.00 0.00 176.91 176.84 3k1i h LEU 27 N -0.29 -0.11 -0.69 3.39 3.38 0.24 0.21 115.31 121.44 3k1i h LEU 27 Ca 0.14 0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.23 3k1i h LEU 27 Cb 0.52 0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.31 3k1i h LEU 27 CO -0.45 -0.03 0.38 1.88 0.09 0.00 0.00 178.44 180.31 3k1i h TYR 28 N 0.05 0.69 -0.37 1.13 0.05 -0.88 0.65 116.97 118.30 3k1i h TYR 28 Ca 0.10 0.03 -0.12 0.00 0.05 0.00 0.00 58.73 58.79 3k1i h TYR 28 Cb 0.13 -0.21 -0.01 0.00 1.01 0.00 0.00 36.73 37.65 3k1i h TYR 28 CO -0.19 0.32 -0.25 0.93 -1.05 0.00 0.00 178.16 177.91 3k1i h GLU 29 N 0.69 0.75 -0.56 4.88 5.08 -0.43 -2.20 114.58 122.78 3k1i h GLU 29 Ca 0.32 -0.32 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 3k1i h GLU 29 Cb 0.23 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 3k1i h GLU 29 CO -0.20 0.93 0.15 0.78 -1.00 0.00 0.00 179.01 179.66 3k1i h GLY 30 N 0.96 0.92 0.24 -3.84 0.00 -0.27 0.13 103.07 101.22 3k1i h GLY 30 Ca 0.08 -0.53 0.08 0.00 0.00 0.00 0.00 47.33 46.97 3k1i h GLY 30 CO 0.06 0.49 -0.03 -2.22 0.00 0.00 0.00 176.54 174.84 3k1i h ILE 31 N 0.83 0.63 -0.07 2.60 2.04 -0.60 -1.98 117.51 120.96 3k1i h ILE 31 Ca 0.18 -0.03 0.01 0.00 1.00 0.00 0.00 64.86 66.03 3k1i h ILE 31 Cb 0.28 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 3k1i h ILE 31 CO -0.00 0.01 -0.01 -0.07 0.00 0.00 0.00 178.15 178.08 3k1i h LEU 32 N 0.07 -0.04 0.96 1.44 -0.00 -0.79 0.19 115.31 117.14 3k1i h LEU 32 Ca 0.21 0.02 -0.05 0.00 -0.00 0.00 0.00 57.88 58.07 3k1i h LEU 32 Cb 0.32 0.03 0.01 0.00 -0.00 0.00 0.00 40.66 41.02 3k1i h LEU 32 CO -0.39 -0.01 -0.46 0.03 -0.00 0.00 0.00 178.44 177.61 3k1i h ARG 33 N 0.02 -1.24 -0.68 1.13 3.08 -0.87 -1.49 114.38 114.31 3k1i h ARG 33 Ca 0.03 0.08 0.06 0.00 0.07 0.00 0.00 59.98 60.23 3k1i h ARG 33 Cb 0.04 0.28 -0.06 0.00 0.08 0.00 0.00 29.97 30.32 3k1i h ARG 33 CO -0.06 -0.83 0.38 0.74 -1.07 0.00 0.00 179.97 179.13 3k1i h PHE 34 N -1.32 0.69 0.51 3.04 0.04 -1.42 -1.76 116.94 116.73 3k1i h PHE 34 Ca -0.13 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.64 3k1i h PHE 34 Cb 0.99 -0.21 -0.00 0.00 2.20 0.00 0.00 35.95 38.93 3k1i h PHE 34 CO -0.00 0.33 -0.31 0.77 -0.60 0.00 0.00 178.31 178.50 3k1i h SER 35 N 0.69 -0.76 -1.01 2.17 0.02 -0.57 -0.15 113.55 113.94 3k1i h SER 35 Ca 0.31 0.04 0.22 0.00 -0.84 0.00 0.00 61.79 61.53 3k1i h SER 35 Cb 0.21 0.22 -0.11 0.00 0.14 0.00 0.00 62.40 62.86 3k1i h SER 35 CO -0.19 -0.49 0.61 -1.28 -1.14 0.00 0.00 176.83 174.34 3k1i h SER 36 N -0.77 0.69 -0.26 3.07 0.87 -1.15 -1.15 113.55 114.85 3k1i h SER 36 Ca -0.06 0.11 -0.02 0.00 -1.23 0.00 0.00 61.79 60.59 3k1i h SER 36 Cb 0.63 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.57 3k1i h SER 36 CO 0.07 0.18 0.10 1.56 -0.53 0.00 0.00 176.83 178.20 3k1i h GLN 37 N 0.64 0.39 -0.81 2.24 1.08 -0.36 -1.26 115.11 117.02 3k1i h GLN 37 Ca 0.61 -0.08 0.05 0.00 -1.45 0.00 0.00 58.65 57.79 3k1i h GLN 37 Cb 1.12 -0.06 -0.06 0.00 -0.05 0.00 0.00 27.48 28.43 3k1i h GLN 37 CO -0.41 0.44 0.50 0.00 -0.95 0.00 0.00 178.83 178.41 3k1i h ALA 38 N 0.93 1.10 -0.30 3.87 0.00 -0.12 -1.30 119.26 123.43 3k1i h ALA 38 Ca 0.08 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.05 3k1i h ALA 38 Cb 0.20 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 3k1i h ALA 38 CO -0.01 0.26 -0.12 -0.22 0.00 0.00 0.00 179.25 179.16 3k1i h LYS 39 N 0.93 -0.06 -0.63 0.00 3.64 -0.88 -1.27 116.57 118.30 3k1i h LYS 39 Ca 0.35 0.00 0.14 0.00 -1.27 0.00 0.00 60.65 59.87 3k1i h LYS 39 Cb 0.13 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.92 3k1i h LYS 39 CO -0.16 -0.04 0.43 0.00 -2.27 0.00 0.00 179.45 177.41 3k1i h ARG 40 N -0.06 0.25 0.00 1.90 2.47 -0.32 -2.49 114.38 116.13 3k1i h ARG 40 Ca 0.15 -0.01 -0.19 0.00 -1.26 0.00 0.00 59.98 58.67 3k1i h ARG 40 Cb 0.30 -0.06 -0.03 0.00 -1.65 0.00 0.00 29.97 28.54 3k1i h ARG 40 CO -0.35 0.16 -0.90 0.00 0.56 0.00 0.00 179.97 179.44 3k1i h ILE 42 N 0.00 0.81 -0.39 0.00 2.04 -0.90 0.22 117.51 119.29 3k1i h ILE 42 Ca -0.01 -0.63 0.06 0.00 1.00 0.00 0.00 64.86 65.29 3k1i h ILE 42 Cb 1.62 1.16 -0.06 0.00 -0.74 0.00 0.00 36.82 38.80 3k1i h ILE 42 CO 0.12 0.13 0.05 -0.33 0.00 0.00 0.00 178.15 178.12 3k1i h GLU 43 N -0.66 0.16 0.00 2.37 5.08 -1.51 -2.51 114.58 117.51 3k1i h GLU 43 Ca -0.03 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3k1i h GLU 43 Cb 0.47 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.68 3k1i h GLU 43 CO 0.05 0.11 0.00 0.09 -1.00 0.00 0.00 179.01 178.26 3k1i n ASN 44 N -5.13 0.80 -0.63 1.42 4.13 0.23 -4.93 115.26 111.14 3k1i n ASN 44 Ca 0.02 0.60 -0.08 0.00 1.68 0.00 0.00 54.58 56.80 3k1i n ASN 44 Cb 0.19 -0.81 -0.03 0.00 -1.54 0.00 0.00 39.78 37.59 3k1i n ASN 44 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3k1i n GLU 45 N -2.28 -0.56 -2.74 3.52 1.02 0.65 -4.99 120.64 115.26 3k1i n GLU 45 Ca 0.05 0.76 -0.42 0.00 -0.02 0.00 0.00 57.16 57.52 3k1i n GLU 45 Cb 0.39 -4.60 -0.03 0.00 -0.02 0.00 0.00 31.44 27.17 3k1i n GLU 45 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3k1i s ASP 46 N -2.90 6.22 0.06 1.62 -1.08 -0.57 -4.92 116.67 115.11 3k1i s ASP 46 Ca 0.00 -0.91 -0.37 0.00 -0.52 0.00 0.00 52.55 50.75 3k1i s ASP 46 Cb 0.00 -2.47 -0.20 0.00 -1.46 0.00 0.00 42.92 38.78 3k1i s ASP 46 CO 0.00 -1.55 1.58 0.40 0.52 0.00 0.00 175.17 176.11 3k1i h ILE 47 N 6.03 0.06 -0.32 4.11 1.08 -1.94 0.21 117.51 126.73 3k1i h ILE 47 Ca -0.23 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.31 3k1i h ILE 47 Cb 1.06 0.06 -0.08 0.00 -3.07 0.00 0.00 36.82 34.78 3k1i h ILE 47 CO 1.22 0.00 -0.28 -0.33 -0.69 0.00 0.00 178.15 178.07 3k1i h GLU 48 N -1.26 -0.24 -0.46 2.37 5.08 -1.98 -0.76 114.58 117.33 3k1i h GLU 48 Ca -0.12 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.29 3k1i h GLU 48 Cb 0.97 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.24 3k1i h GLU 48 CO 0.19 -0.16 0.22 0.87 -1.00 0.00 0.00 179.01 179.13 3k1i h LYS 49 N -0.25 0.43 -0.60 2.33 1.57 -1.96 -1.46 116.57 116.64 3k1i h LYS 49 Ca 0.16 -0.03 0.12 0.00 -1.87 0.00 0.00 60.65 59.03 3k1i h LYS 49 Cb 0.50 -0.10 -0.11 0.00 0.08 0.00 0.00 32.23 32.60 3k1i h LYS 49 CO -0.46 0.29 -0.13 -0.22 -0.57 0.00 0.00 179.45 178.35 3k1i h LYS 50 N 0.45 0.01 -0.52 3.15 3.64 -0.26 -0.19 116.57 122.84 3k1i h LYS 50 Ca 0.20 -0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.50 3k1i h LYS 50 Cb 0.13 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 3k1i h LYS 50 CO -0.15 0.01 0.00 0.82 -2.27 0.00 0.00 179.45 177.86 3k1i h ILE 51 N 0.01 1.26 -0.85 2.00 2.04 -0.70 0.20 117.51 121.47 3k1i h ILE 51 Ca 0.29 -1.09 0.08 0.00 1.00 0.00 0.00 64.86 65.14 3k1i h ILE 51 Cb 0.45 0.93 -0.07 0.00 -0.74 0.00 0.00 36.82 37.39 3k1i h ILE 51 CO -0.60 0.39 0.52 0.22 0.00 0.00 0.00 178.15 178.67 3k1i h TYR 52 N 0.79 0.95 -0.08 1.37 3.20 -0.69 -1.54 116.97 120.96 3k1i h TYR 52 Ca 0.15 0.03 -0.23 0.00 3.14 0.00 0.00 58.73 61.82 3k1i h TYR 52 Cb 0.52 -0.30 0.01 0.00 1.54 0.00 0.00 36.73 38.50 3k1i h TYR 52 CO 0.04 0.44 -0.86 1.88 -1.64 0.00 0.00 178.16 178.02 3k1i h TYR 53 N 0.91 0.94 -0.19 -3.82 0.05 -0.49 -1.06 116.97 113.31 3k1i h TYR 53 Ca 0.39 -0.45 0.00 0.00 0.05 0.00 0.00 58.73 58.72 3k1i h TYR 53 Cb 0.26 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 37.86 3k1i h TYR 53 CO -0.04 1.28 0.13 0.82 -1.05 0.00 0.00 178.16 179.29 3k1i h ILE 54 N 0.43 1.05 0.00 -2.88 1.08 -0.60 0.93 117.51 117.52 3k1i h ILE 54 Ca -0.07 -0.10 -0.07 0.00 -0.39 0.00 0.00 64.86 64.23 3k1i h ILE 54 Cb 1.49 0.77 -0.01 0.00 -3.07 0.00 0.00 36.82 36.01 3k1i h ILE 54 CO 0.17 0.05 -0.34 0.78 -0.69 0.00 0.00 178.15 178.12 3k1i h ASN 55 N 0.26 0.00 0.11 1.72 2.35 -1.32 -0.29 115.58 118.41 3k1i h ASN 55 Ca 0.07 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.66 3k1i h ASN 55 Cb -0.03 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 3k1i h ASN 55 CO -0.01 0.34 -0.57 -0.09 -1.65 0.00 0.00 177.43 175.44 3k1i h ARG 56 N 0.00 0.48 -0.38 0.81 9.65 -0.53 -2.05 114.38 122.36 3k1i h ARG 56 Ca -0.00 -0.31 -0.16 0.00 -1.10 0.00 0.00 59.98 58.41 3k1i h ARG 56 Cb 0.90 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.51 3k1i h ARG 56 CO 0.04 0.92 -0.37 0.28 2.80 0.00 0.00 179.97 183.64 3k1i h VAL 57 N 0.36 1.27 0.00 0.20 2.07 0.42 -3.11 116.25 117.46 3k1i h VAL 57 Ca 0.00 -1.55 0.00 0.00 0.82 0.00 0.00 66.70 65.97 3k1i h VAL 57 Cb 1.11 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 32.28 3k1i h VAL 57 CO 0.10 0.52 0.00 0.00 0.02 0.00 0.00 177.57 178.21 3k1i h THR 58 N 0.73 0.00 -0.48 2.57 1.03 -1.05 -2.46 112.91 113.26 3k1i h THR 58 Ca 0.06 -0.47 -0.06 0.00 -0.01 0.00 0.00 66.41 65.93 3k1i h THR 58 Cb 0.97 1.37 -0.02 0.00 -1.07 0.00 0.00 68.15 69.40 3k1i h THR 58 CO 0.09 0.00 0.07 0.44 -0.01 0.00 0.00 175.52 176.11 3k1i h ASP 59 N 0.00 0.77 -0.14 0.00 3.32 -1.30 -1.30 116.42 117.77 3k1i h ASP 59 Ca 0.00 -0.27 -0.13 0.00 0.02 0.00 0.00 57.03 56.65 3k1i h ASP 59 Cb 0.57 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.92 3k1i h ASP 59 CO 0.00 0.84 -0.41 0.40 -1.72 0.00 0.00 179.24 178.35 3k1i h ILE 60 N 0.66 1.35 -0.33 0.35 2.04 -1.48 0.11 117.51 120.22 3k1i h ILE 60 Ca 0.14 -1.69 0.10 0.00 1.00 0.00 0.00 64.86 64.41 3k1i h ILE 60 Cb 0.41 2.04 -0.01 0.00 -0.74 0.00 0.00 36.82 38.51 3k1i h ILE 60 CO 0.01 0.51 0.29 -0.26 0.00 0.00 0.00 178.15 178.70 3k1i h PHE 61 N 0.16 0.00 -0.00 1.37 0.04 -1.50 0.11 116.94 117.12 3k1i h PHE 61 Ca -0.01 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.53 3k1i h PHE 61 Cb 1.03 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.19 3k1i h PHE 61 CO 0.10 0.00 -0.96 1.15 -0.60 0.00 0.00 178.31 178.00 3k1i h THR 62 N 0.00 1.37 -0.34 -1.55 2.02 -0.16 -1.86 112.91 112.40 3k1i h THR 62 Ca 0.16 -2.40 -0.10 0.00 0.77 0.00 0.00 66.41 64.84 3k1i h THR 62 Cb 0.73 2.40 -0.01 0.00 -1.74 0.00 0.00 68.15 69.54 3k1i h THR 62 CO -0.00 0.72 -0.18 -0.08 0.37 0.00 0.00 175.52 176.35 3k1i h GLU 63 N 0.27 0.72 -0.33 6.66 4.81 -0.22 -2.58 114.58 123.90 3k1i h GLU 63 Ca -0.09 -0.32 -0.07 0.00 -0.13 0.00 0.00 59.36 58.75 3k1i h GLU 63 Cb 1.60 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.95 3k1i h GLU 63 CO 0.17 0.93 -0.07 -0.07 -0.73 0.00 0.00 179.01 179.24 3k1i h LEU 64 N 0.49 0.53 -0.79 1.64 3.38 -1.04 -2.16 115.31 117.36 3k1i h LEU 64 Ca 0.07 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 3k1i h LEU 64 Cb 0.72 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 3k1i h LEU 64 CO 0.05 0.65 -0.24 0.25 0.09 0.00 0.00 178.44 179.24 3k1i h LEU 65 N 0.52 0.00 0.00 1.67 5.85 -1.18 -3.09 115.31 119.07 3k1i h LEU 65 Ca 0.10 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.60 3k1i h LEU 65 Cb 0.44 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 3k1i h LEU 65 CO 0.02 0.24 -1.31 0.78 -0.34 0.00 0.00 178.44 177.83 3k1i h ASN 66 N 0.00 0.00 0.92 1.25 2.35 -1.07 -3.19 115.58 115.85 3k1i h ASN 66 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3k1i h ASN 66 Cb 0.89 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.26 3k1i h ASN 66 CO 0.03 0.85 0.00 0.40 -1.65 0.00 0.00 177.43 177.06 3k1i h ILE 67 N 0.00 0.00 -3.19 2.81 2.04 -1.33 -3.45 117.51 114.39 3k1i h ILE 67 Ca -0.15 -0.33 -0.53 0.00 1.00 0.00 0.00 64.86 64.85 3k1i h ILE 67 Cb 1.78 1.14 0.07 0.00 -0.74 0.00 0.00 36.82 39.08 3k1i h ILE 67 CO 0.08 0.00 0.90 -0.76 0.00 0.00 0.00 178.15 178.37 3k1i s LEU 68 N -4.74 4.35 -0.49 1.44 1.02 -1.19 -4.98 118.68 114.10 3k1i s LEU 68 Ca 0.05 2.89 -0.04 0.00 0.02 0.00 0.00 54.13 57.05 3k1i s LEU 68 Cb 0.10 -3.63 0.13 0.00 0.02 0.00 0.00 46.19 42.81 3k1i s LEU 68 CO 0.45 -0.90 0.30 -0.62 0.02 0.00 0.00 176.35 175.61 3k1i s ASP 69 N 0.64 5.34 -1.32 2.29 2.15 -1.26 -5.01 116.67 119.50 3k1i s ASP 69 Ca 0.65 -2.26 -0.10 0.00 0.43 0.00 0.00 52.55 51.27 3k1i s ASP 69 Cb -0.47 -1.87 -0.07 0.00 -0.30 0.00 0.00 42.92 40.21 3k1i s ASP 69 CO 0.44 -0.52 2.53 -1.22 -0.17 0.00 0.00 175.17 176.23 3k1i n TYR 70 N 4.31 2.18 0.02 -5.34 4.01 -1.26 -3.45 117.16 117.63 3k1i n TYR 70 Ca 0.00 -2.63 0.00 0.00 -0.16 0.00 0.00 57.90 55.12 3k1i n TYR 70 Cb 0.40 -2.18 0.00 0.00 -0.31 0.00 0.00 39.34 37.25 3k1i n TYR 70 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3k1i n GLU 71 N 4.34 0.00 -0.03 -0.72 1.02 -1.26 -4.91 120.64 119.08 3k1i n GLU 71 Ca 0.62 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 57.62 3k1i n GLU 71 Cb 0.23 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.55 3k1i n GLU 71 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 3k1i h LYS 72 N 0.00 0.29 0.01 3.49 1.57 -2.03 -3.40 116.57 116.51 3k1i h LYS 72 Ca 0.00 -0.23 -0.00 0.00 -1.87 0.00 0.00 60.65 58.55 3k1i h LYS 72 Cb 0.00 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.36 3k1i h LYS 72 CO 0.00 0.88 -0.01 0.78 -0.57 0.00 0.00 179.45 180.53 3k1i h GLY 73 N -0.24 -0.02 0.00 3.86 0.00 -1.94 -3.47 103.07 101.26 3k1i h GLY 73 Ca -0.02 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.32 3k1i h GLY 73 CO 0.06 -0.01 0.00 0.61 0.00 0.00 0.00 176.54 177.20 3k1i n GLY 74 N 1.65 0.26 0.16 4.60 0.00 -1.25 -2.67 105.19 107.92 3k1i n GLY 74 Ca -0.04 0.59 -0.04 0.00 0.00 0.00 0.00 46.02 46.53 3k1i n GLY 74 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3k1i n GLU 75 N 0.00 -0.17 0.43 1.61 2.13 -1.26 0.66 120.64 124.05 3k1i n GLU 75 Ca 0.00 1.04 -0.18 0.00 0.66 0.00 0.00 57.16 58.68 3k1i n GLU 75 Cb 0.00 -1.55 -0.09 0.00 0.27 0.00 0.00 31.44 30.08 3k1i n GLU 75 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3k1i h VAL 76 N 0.00 0.13 -0.87 6.31 2.07 -1.91 -2.67 116.25 119.31 3k1i h VAL 76 Ca 0.06 -0.11 0.20 0.00 0.82 0.00 0.00 66.70 67.67 3k1i h VAL 76 Cb 0.15 0.15 -0.16 0.00 -1.52 0.00 0.00 31.29 29.91 3k1i h VAL 76 CO -0.35 0.01 -0.10 0.00 0.02 0.00 0.00 177.57 177.15 3k1i h ALA 77 N -1.07 0.78 -0.68 1.67 0.00 -1.64 0.20 119.26 118.51 3k1i h ALA 77 Ca -0.11 0.31 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 3k1i h ALA 77 Cb 0.85 0.58 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 3k1i h ALA 77 CO 0.18 -0.44 0.17 0.28 0.00 0.00 0.00 179.25 179.44 3k1i h VAL 78 N 0.03 1.26 0.55 0.00 2.07 0.24 -1.18 116.25 119.23 3k1i h VAL 78 Ca 0.46 -0.95 -0.03 0.00 0.82 0.00 0.00 66.70 67.00 3k1i h VAL 78 Cb 0.80 0.57 0.01 0.00 -1.52 0.00 0.00 31.29 31.15 3k1i h VAL 78 CO -0.84 0.36 -0.27 0.22 0.02 0.00 0.00 177.57 177.06 3k1i h TYR 79 N 1.02 -0.69 0.00 1.57 3.20 -0.41 -2.08 116.97 119.58 3k1i h TYR 79 Ca 0.21 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.06 3k1i h TYR 79 Cb 0.36 0.23 -0.00 0.00 1.54 0.00 0.00 36.73 38.86 3k1i h TYR 79 CO 0.03 -0.37 -0.02 -0.07 -1.64 0.00 0.00 178.16 176.09 3k1i h LEU 80 N -0.93 0.00 -0.14 2.82 3.38 -0.75 -1.29 115.31 118.41 3k1i h LEU 80 Ca -0.08 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3k1i h LEU 80 Cb 0.63 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 3k1i h LEU 80 CO 0.13 0.02 0.06 0.74 0.09 0.00 0.00 178.44 179.47 3k1i h THR 81 N 0.00 1.15 -0.52 0.22 2.02 -0.92 0.43 112.91 115.28 3k1i h THR 81 Ca -0.00 -0.45 -0.04 0.00 0.77 0.00 0.00 66.41 66.69 3k1i h THR 81 Cb 0.04 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.62 3k1i h THR 81 CO 0.00 0.14 0.16 1.23 0.37 0.00 0.00 175.52 177.43 3k1i h GLY 82 N 0.08 0.87 0.46 2.16 0.00 -0.67 -1.33 103.07 104.64 3k1i h GLY 82 Ca 0.05 -0.52 -0.02 0.00 0.00 0.00 0.00 47.33 46.85 3k1i h GLY 82 CO -0.00 0.48 -0.41 -2.00 0.00 0.00 0.00 176.54 174.61 3k1i h LEU 83 N 0.72 -1.12 -0.28 3.11 5.85 -1.20 0.10 115.31 122.49 3k1i h LEU 83 Ca 0.17 0.08 0.06 0.00 0.84 0.00 0.00 57.88 59.03 3k1i h LEU 83 Cb 0.27 0.36 -0.06 0.00 0.37 0.00 0.00 40.66 41.60 3k1i h LEU 83 CO -0.01 -0.56 -0.13 1.88 -0.34 0.00 0.00 178.44 179.28 3k1i h TYR 84 N -0.86 -0.31 -0.89 1.25 0.05 -0.82 0.12 116.97 115.51 3k1i h TYR 84 Ca -0.06 0.03 0.02 0.00 0.05 0.00 0.00 58.73 58.78 3k1i h TYR 84 Cb 0.73 0.18 -0.05 0.00 1.01 0.00 0.00 36.73 38.61 3k1i h TYR 84 CO -0.19 -0.20 0.59 1.79 -1.05 0.00 0.00 178.16 179.10 3k1i h THR 85 N -0.09 1.18 -0.46 -2.88 1.35 -1.29 -2.12 112.91 108.61 3k1i h THR 85 Ca 0.15 -0.40 -0.02 0.00 -0.55 0.00 0.00 66.41 65.58 3k1i h THR 85 Cb 0.31 -0.08 -0.02 0.00 -1.73 0.00 0.00 68.15 66.63 3k1i h THR 85 CO -0.34 0.21 0.19 -0.74 -0.25 0.00 0.00 175.52 174.60 3k1i h HIS 86 N 1.16 0.69 -0.67 4.73 -0.00 0.79 -2.30 115.15 119.55 3k1i h HIS 86 Ca 0.34 -0.05 0.04 0.00 -0.00 0.00 0.00 60.37 60.70 3k1i h HIS 86 Cb -0.05 -0.21 -0.05 0.00 -0.00 0.00 0.00 27.41 27.11 3k1i h HIS 86 CO -0.00 0.58 0.40 1.96 -0.00 0.00 0.00 177.93 180.88 3k1i h GLN 87 N 0.60 0.76 -0.28 5.26 1.08 -0.23 -1.15 115.11 121.14 3k1i h GLN 87 Ca 0.15 -0.05 0.06 0.00 -1.45 0.00 0.00 58.65 57.37 3k1i h GLN 87 Cb 0.18 -0.17 -0.07 0.00 -0.05 0.00 0.00 27.48 27.37 3k1i h GLN 87 CO -0.01 0.50 -0.16 0.82 -0.95 0.00 0.00 178.83 179.03 3k1i h ILE 88 N 0.78 0.53 -0.85 2.54 2.04 -1.24 -0.37 117.51 120.94 3k1i h ILE 88 Ca 0.28 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.24 3k1i h ILE 88 Cb 0.07 0.53 -0.06 0.00 -0.74 0.00 0.00 36.82 36.62 3k1i h ILE 88 CO -0.13 0.00 0.55 0.50 0.00 0.00 0.00 178.15 179.08 3k1i h LYS 89 N -0.13 0.77 -0.29 2.37 3.64 -0.87 -2.10 116.57 119.96 3k1i h LYS 89 Ca 0.15 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.36 3k1i h LYS 89 Cb 0.35 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.00 3k1i h LYS 89 CO -0.36 0.51 -0.32 0.28 -2.27 0.00 0.00 179.45 177.29 3k1i h VAL 90 N 0.79 1.30 -0.69 2.00 2.07 -0.52 -2.62 116.25 118.58 3k1i h VAL 90 Ca 0.40 -1.49 0.08 0.00 0.82 0.00 0.00 66.70 66.51 3k1i h VAL 90 Cb 0.47 1.59 -0.07 0.00 -1.52 0.00 0.00 31.29 31.76 3k1i h VAL 90 CO -0.17 0.48 0.35 -0.07 0.02 0.00 0.00 177.57 178.19 3k1i h LEU 91 N 0.48 0.48 -1.01 2.57 3.38 -0.61 -0.20 115.31 120.39 3k1i h LEU 91 Ca 0.04 0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 3k1i h LEU 91 Cb 0.89 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 3k1i h LEU 91 CO 0.08 0.29 -0.15 0.74 0.09 0.00 0.00 178.44 179.49 3k1i h THR 92 N 0.62 1.24 -0.60 0.22 2.02 -1.32 -1.58 112.91 113.51 3k1i h THR 92 Ca 0.33 -1.09 -0.03 0.00 0.77 0.00 0.00 66.41 66.39 3k1i h THR 92 Cb 0.31 1.17 -0.03 0.00 -1.74 0.00 0.00 68.15 67.86 3k1i h THR 92 CO -0.24 0.36 0.25 1.56 0.37 0.00 0.00 175.52 177.82 3k1i h GLN 93 N 0.49 0.90 0.00 6.66 4.20 -0.81 0.34 115.11 126.89 3k1i h GLN 93 Ca 0.09 -0.16 -0.07 0.00 0.06 0.00 0.00 58.65 58.57 3k1i h GLN 93 Cb 0.54 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 3k1i h GLN 93 CO 0.03 0.76 -0.35 0.00 -0.67 0.00 0.00 178.83 178.60 3k1i h ALA 94 N 1.10 1.34 0.32 3.87 0.00 -0.54 -1.23 119.26 124.11 3k1i h ALA 94 Ca 0.20 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3k1i h ALA 94 Cb 0.19 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3k1i h ALA 94 CO -0.02 0.44 -0.15 -0.97 0.00 0.00 0.00 179.25 178.55 3k1i h ASN 95 N 0.00 -0.36 -0.53 0.00 -1.24 -0.78 0.33 115.58 113.00 3k1i h ASN 95 Ca -0.00 0.01 0.11 0.00 0.71 0.00 0.00 56.30 57.12 3k1i h ASN 95 Cb 0.65 0.09 -0.10 0.00 0.73 0.00 0.00 38.32 39.70 3k1i h ASN 95 CO 0.05 -0.17 -0.14 0.58 -1.29 0.00 0.00 177.43 176.46 3k1i h VAL 96 N -0.61 0.45 -0.65 2.57 2.07 -0.26 -2.34 116.25 117.49 3k1i h VAL 96 Ca -0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.48 3k1i h VAL 96 Cb 0.33 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 3k1i h VAL 96 CO 0.07 0.00 0.00 -1.84 0.02 0.00 0.00 177.57 175.82 3k1i n GLU 97 N -5.38 2.94 -3.92 1.57 0.28 -0.47 -4.95 120.64 110.71 3k1i n GLU 97 Ca 0.05 -2.52 -0.25 0.00 -0.16 0.00 0.00 57.16 54.28 3k1i n GLU 97 Cb 0.28 -1.65 -0.01 0.00 1.43 0.00 0.00 31.44 31.50 3k1i n GLU 97 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 3k1i n ASN 98 N 1.31 -0.92 -4.20 -1.84 3.02 0.82 -4.87 115.26 108.58 3k1i n ASN 98 Ca 0.23 -0.96 -0.41 0.00 -0.03 0.00 0.00 54.58 53.42 3k1i n ASN 98 Cb 0.67 -3.29 -0.08 0.00 -0.61 0.00 0.00 39.78 36.48 3k1i n ASN 98 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3k1i s ASP 99 N -4.24 5.76 0.40 6.41 -1.08 0.79 -4.90 116.67 119.80 3k1i s ASP 99 Ca 0.09 -2.23 0.12 0.00 -0.52 0.00 0.00 52.55 50.01 3k1i s ASP 99 Cb -0.05 -2.01 0.94 0.00 -1.46 0.00 0.00 42.92 40.35 3k1i s ASP 99 CO 0.87 -0.61 1.91 0.00 0.52 0.00 0.00 175.17 177.87 3k1i h ALA 100 N 8.04 1.97 0.00 3.66 0.00 -1.89 -1.30 119.26 129.74 3k1i h ALA 100 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3k1i h ALA 100 Cb 1.04 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3k1i h ALA 100 CO 0.81 -0.17 0.00 0.66 0.00 0.00 0.00 179.25 180.55 3k1i h SER 101 N 0.54 0.00 0.74 0.00 4.64 -1.98 -2.58 113.55 114.92 3k1i h SER 101 Ca 0.38 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.49 3k1i h SER 101 Cb 0.72 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.80 3k1i h SER 101 CO -0.14 0.00 -0.97 0.11 -0.87 0.00 0.00 176.83 174.95 3k1i h LYS 102 N 0.00 0.13 -0.68 4.77 1.57 -1.63 -2.77 116.57 117.96 3k1i h LYS 102 Ca 0.00 -0.17 -0.05 0.00 -1.87 0.00 0.00 60.65 58.56 3k1i h LYS 102 Cb 0.64 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.97 3k1i h LYS 102 CO 0.00 1.00 0.25 0.82 -0.57 0.00 0.00 179.45 180.95 3k1i h ILE 103 N 0.06 1.25 -0.48 1.86 5.03 -1.41 -2.39 117.51 121.43 3k1i h ILE 103 Ca -0.05 -0.81 0.10 0.00 -0.12 0.00 0.00 64.86 63.98 3k1i h ILE 103 Cb 1.66 0.49 -0.03 0.00 -3.03 0.00 0.00 36.82 35.92 3k1i h ILE 103 CO 0.14 0.32 0.33 0.44 -0.68 0.00 0.00 178.15 178.70 3k1i h ASP 104 N 0.98 0.20 -0.17 1.72 3.32 -1.40 0.48 116.42 121.55 3k1i h ASP 104 Ca 0.22 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.16 3k1i h ASP 104 Cb 0.25 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 3k1i h ASP 104 CO -0.01 0.12 -0.30 -0.07 -1.72 0.00 0.00 179.24 177.26 3k1i h LEU 105 N 0.23 0.68 0.09 1.55 3.38 -1.14 -2.21 115.31 117.89 3k1i h LEU 105 Ca 0.22 -0.26 -0.29 0.00 0.09 0.00 0.00 57.88 57.64 3k1i h LEU 105 Cb 0.58 -0.19 0.03 0.00 0.09 0.00 0.00 40.66 41.17 3k1i h LEU 105 CO -0.04 0.94 -1.22 0.58 0.09 0.00 0.00 178.44 178.79 3k1i h VAL 106 N 0.56 1.30 -0.98 1.22 2.07 -1.04 -3.02 116.25 116.36 3k1i h VAL 106 Ca 0.07 -2.46 0.14 0.00 0.82 0.00 0.00 66.70 65.26 3k1i h VAL 106 Cb 0.79 2.66 -0.09 0.00 -1.52 0.00 0.00 31.29 33.14 3k1i h VAL 106 CO 0.07 0.75 0.62 -0.07 0.02 0.00 0.00 177.57 178.95 3k1i h LEU 107 N 0.28 0.85 -0.14 2.57 3.38 0.04 -0.31 115.31 121.97 3k1i h LEU 107 Ca -0.18 0.06 -0.23 0.00 0.09 0.00 0.00 57.88 57.62 3k1i h LEU 107 Cb 1.88 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 42.53 3k1i h LEU 107 CO 0.23 0.42 -0.92 0.78 0.09 0.00 0.00 178.44 179.03 3k1i h ASN 108 N 0.89 0.72 -0.37 -0.43 2.35 -1.43 0.38 115.58 117.69 3k1i h ASN 108 Ca 0.51 -0.55 -0.03 0.00 -0.55 0.00 0.00 56.30 55.68 3k1i h ASN 108 Cb 0.63 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.76 3k1i h ASN 108 CO -0.28 1.34 0.13 0.58 -1.65 0.00 0.00 177.43 177.55 3k1i h VAL 109 N 0.34 1.20 -0.01 2.81 2.07 -1.37 0.15 116.25 121.44 3k1i h VAL 109 Ca -0.09 -0.64 0.03 0.00 0.82 0.00 0.00 66.70 66.83 3k1i h VAL 109 Cb 1.56 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 32.22 3k1i h VAL 109 CO 0.17 0.22 -0.16 0.00 0.02 0.00 0.00 177.57 177.82 3k1i h ALA 110 N 0.98 -0.18 -0.19 1.67 0.00 -1.03 -0.71 119.26 119.79 3k1i h ALA 110 Ca 0.12 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3k1i h ALA 110 Cb 0.22 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3k1i h ALA 110 CO -0.01 -0.65 -0.01 -0.09 0.00 0.00 0.00 179.25 178.49 3k1i h ARG 111 N -0.26 0.28 -0.15 0.00 2.43 -0.68 -0.71 114.38 115.30 3k1i h ARG 111 Ca 0.06 -0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 59.06 3k1i h ARG 111 Cb 0.33 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 3k1i h ARG 111 CO -0.16 0.32 -0.46 0.78 -1.51 0.00 0.00 179.97 178.94 3k1i h GLY 112 N 0.58 0.39 1.91 2.80 0.00 -0.33 -2.77 103.07 105.65 3k1i h GLY 112 Ca 0.07 -0.40 -0.16 0.00 0.00 0.00 0.00 47.33 46.83 3k1i h GLY 112 CO 0.01 0.36 -0.72 1.41 0.00 0.00 0.00 176.54 177.60 3k1i h LEU 113 N 0.29 0.11 0.22 3.11 3.38 0.12 -3.19 115.31 119.35 3k1i h LEU 113 Ca 0.02 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3k1i h LEU 113 Cb 0.92 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.64 3k1i h LEU 113 CO 0.08 0.79 -0.10 0.25 0.09 0.00 0.00 178.44 179.54 3k1i h LEU 114 N 0.06 -0.25 0.00 1.67 5.85 -1.03 -1.80 115.31 119.82 3k1i h LEU 114 Ca -0.01 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3k1i h LEU 114 Cb 1.27 0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.36 3k1i h LEU 114 CO 0.10 -0.08 0.00 -1.84 -0.34 0.00 0.00 178.44 176.28 3k1i n GLU 115 N -3.29 0.10 -0.03 1.25 0.28 -1.06 -0.82 120.64 117.07 3k1i n GLU 115 Ca -0.04 0.23 -0.20 0.00 -0.16 0.00 0.00 57.16 56.99 3k1i n GLU 115 Cb 0.11 -1.50 -0.13 0.00 1.43 0.00 0.00 31.44 31.35 3k1i n GLU 115 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3k1i h ALA 116 N 2.44 0.15 -0.29 -1.84 0.00 -1.59 -3.16 119.26 114.97 3k1i h ALA 116 Ca 0.00 -1.00 0.03 0.00 0.00 0.00 0.00 54.91 53.94 3k1i h ALA 116 Cb 0.11 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3k1i h ALA 116 CO 0.00 0.64 0.20 2.35 0.00 0.00 0.00 179.25 182.43 3k1i h TRP 117 N -0.58 0.27 0.00 0.00 2.91 -0.39 -2.53 115.95 115.63 3k1i h TRP 117 Ca -0.25 0.01 0.00 0.00 1.13 0.00 0.00 58.89 59.77 3k1i h TRP 117 Cb 1.52 -0.09 0.00 0.00 -0.51 0.00 0.00 29.16 30.08 3k1i h TRP 117 CO 0.15 0.16 0.00 0.54 -1.03 0.00 0.00 178.44 178.26 3k1i n ARG 118 N -4.49 0.22 0.03 2.65 1.74 -0.00 -2.50 116.66 114.30 3k1i n ARG 118 Ca 0.02 0.24 -0.22 0.00 -0.77 0.00 0.00 57.85 57.13 3k1i n ARG 118 Cb 0.16 -1.79 -0.14 0.00 -1.02 0.00 0.00 32.46 29.67 3k1i n ARG 118 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 3k1i h GLU 119 N 0.00 0.30 0.00 5.56 4.57 -1.42 -3.02 114.58 120.57 3k1i h GLU 119 Ca 0.00 -0.51 0.00 0.00 -1.18 0.00 0.00 59.36 57.67 3k1i h GLU 119 Cb 0.62 0.19 0.00 0.00 -0.16 0.00 0.00 28.75 29.40 3k1i h GLU 119 CO 0.00 1.25 0.00 -0.89 -1.18 0.00 0.00 179.01 178.19 3k1i n ILE 120 N -3.79 0.56 -2.29 2.32 5.41 -1.12 -3.57 119.36 116.88 3k1i n ILE 120 Ca -0.25 -0.15 0.00 0.00 1.00 0.00 0.00 62.75 63.36 3k1i n ILE 120 Cb 0.97 -0.68 0.07 0.00 -0.71 0.00 0.00 39.64 39.29 3k1i n ILE 120 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 3k1i n HIS 121 N -2.13 0.57 1.97 1.39 8.25 -1.04 -5.11 115.22 119.13 3k1i n HIS 121 Ca 0.05 -1.27 0.16 0.00 -0.26 0.00 0.00 57.72 56.39 3k1i n HIS 121 Cb 0.38 -0.21 0.94 0.00 1.12 0.00 0.00 29.99 32.21 3k1i n HIS 121 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85