#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 -1.40 132.00 132.98 3k1i h PRO 20 Ca 0.00 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.98 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 -0.62 0.00 -0.21 0.00 0.00 178.00 177.17 3k1i h ALA 21 N 1.28 0.62 -0.44 -0.75 0.00 -2.01 -2.37 119.26 115.59 3k1i h ALA 21 Ca 0.18 -0.56 -0.11 0.00 0.00 0.00 0.00 54.91 54.42 3k1i h ALA 21 Cb 1.26 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 3k1i h ALA 21 CO -0.00 0.77 -0.17 1.57 0.00 0.00 0.00 179.25 181.42 3k1i h LYS 22 N 0.00 0.86 -0.02 0.00 2.10 -1.68 -2.83 116.57 115.00 3k1i h LYS 22 Ca -0.01 -0.33 -0.04 0.00 -2.00 0.00 0.00 60.65 58.28 3k1i h LYS 22 Cb 1.45 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.73 3k1i h LYS 22 CO 0.08 0.96 -0.14 1.25 -2.00 0.00 0.00 179.45 179.61 3k1i h LEU 23 N 0.75 0.16 -0.18 7.07 7.12 -1.60 -1.25 115.31 127.38 3k1i h LEU 23 Ca 0.11 -0.69 0.05 0.00 0.13 0.00 0.00 57.88 57.48 3k1i h LEU 23 Cb 0.70 -0.05 -0.06 0.00 -0.53 0.00 0.00 40.66 40.72 3k1i h LEU 23 CO 0.05 0.82 -0.20 0.40 -0.13 0.00 0.00 178.44 179.38 3k1i h ILE 24 N -0.50 0.48 -0.61 4.05 2.04 -1.50 0.36 117.51 121.84 3k1i h ILE 24 Ca -0.01 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.91 3k1i h ILE 24 Cb 0.82 0.48 -0.09 0.00 -0.74 0.00 0.00 36.82 37.29 3k1i h ILE 24 CO 0.03 0.00 -0.57 -0.08 0.00 0.00 0.00 178.15 177.53 3k1i h GLU 25 N -0.23 -0.25 -0.50 2.37 4.81 -1.53 0.11 114.58 119.37 3k1i h GLU 25 Ca 0.12 0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.46 3k1i h GLU 25 Cb 0.40 0.06 -0.10 0.00 0.63 0.00 0.00 28.75 29.74 3k1i h GLU 25 CO -0.32 -0.17 -0.26 0.52 -0.73 0.00 0.00 179.01 178.06 3k1i h MET 26 N -0.26 -0.14 -0.83 1.92 2.86 0.01 0.20 114.93 118.68 3k1i h MET 26 Ca 0.10 0.01 0.12 0.00 -2.06 0.00 0.00 59.70 57.88 3k1i h MET 26 Cb 0.53 0.03 -0.08 0.00 0.06 0.00 0.00 31.60 32.14 3k1i h MET 26 CO -0.71 -0.09 0.45 -0.07 1.06 0.00 0.00 176.91 177.54 3k1i h LEU 27 N -0.15 0.58 -0.41 1.22 3.38 0.23 0.35 115.31 120.52 3k1i h LEU 27 Ca 0.22 0.07 -0.08 0.00 0.09 0.00 0.00 57.88 58.19 3k1i h LEU 27 Cb 0.50 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 3k1i h LEU 27 CO -0.58 0.29 -0.04 1.88 0.09 0.00 0.00 178.44 180.08 3k1i h TYR 28 N 0.69 0.83 -0.39 1.13 0.05 0.12 -1.58 116.97 117.82 3k1i h TYR 28 Ca 0.43 -0.16 -0.13 0.00 0.05 0.00 0.00 58.73 58.93 3k1i h TYR 28 Cb 0.53 -0.21 -0.01 0.00 1.01 0.00 0.00 36.73 38.05 3k1i h TYR 28 CO -0.08 0.84 -0.25 0.93 -1.05 0.00 0.00 178.16 178.55 3k1i h GLU 29 N 0.58 0.85 -0.61 4.88 5.08 0.37 -1.91 114.58 123.82 3k1i h GLU 29 Ca 0.11 -0.40 0.07 0.00 -1.00 0.00 0.00 59.36 58.14 3k1i h GLU 29 Cb 0.54 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.72 3k1i h GLU 29 CO 0.03 1.04 0.29 0.78 -1.00 0.00 0.00 179.01 180.15 3k1i h GLY 30 N 0.66 0.87 -0.40 -3.84 0.00 -0.38 0.66 103.07 100.65 3k1i h GLY 30 Ca 0.08 -0.19 0.13 0.00 0.00 0.00 0.00 47.33 47.35 3k1i h GLY 30 CO 0.07 0.07 -0.21 -2.22 0.00 0.00 0.00 176.54 174.25 3k1i h ILE 31 N 0.53 0.28 -0.60 2.60 1.08 -1.02 -1.86 117.51 118.52 3k1i h ILE 31 Ca 0.29 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.74 3k1i h ILE 31 Cb 0.26 0.28 -0.03 0.00 -3.07 0.00 0.00 36.82 34.26 3k1i h ILE 31 CO -0.23 0.00 0.30 -0.07 -0.69 0.00 0.00 178.15 177.46 3k1i h LEU 32 N -0.04 0.78 0.43 1.44 -0.00 -0.35 -0.81 115.31 116.77 3k1i h LEU 32 Ca 0.31 -0.12 -0.02 0.00 -0.00 0.00 0.00 57.88 58.05 3k1i h LEU 32 Cb 0.52 -0.20 0.00 0.00 -0.00 0.00 0.00 40.66 40.98 3k1i h LEU 32 CO -0.71 0.69 -0.21 0.03 -0.00 0.00 0.00 178.44 178.24 3k1i h ARG 33 N 0.82 -0.56 -0.48 1.13 3.08 -0.38 -2.33 114.38 115.67 3k1i h ARG 33 Ca 0.21 0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.29 3k1i h ARG 33 Cb 0.11 0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 3k1i h ARG 33 CO -0.03 -0.27 0.29 0.74 -1.07 0.00 0.00 179.97 179.63 3k1i h PHE 34 N -0.82 0.63 0.08 3.04 0.04 -1.45 -1.84 116.94 116.62 3k1i h PHE 34 Ca -0.06 -0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.73 3k1i h PHE 34 Cb 0.55 -0.21 -0.04 0.00 2.20 0.00 0.00 35.95 38.45 3k1i h PHE 34 CO 0.00 0.44 -0.29 0.77 -0.60 0.00 0.00 178.31 178.63 3k1i h SER 35 N 0.63 -0.84 -0.89 2.17 0.02 -1.14 0.58 113.55 114.09 3k1i h SER 35 Ca 0.17 0.10 0.20 0.00 -0.84 0.00 0.00 61.79 61.43 3k1i h SER 35 Cb -0.01 0.33 -0.12 0.00 0.14 0.00 0.00 62.40 62.74 3k1i h SER 35 CO -0.03 -0.37 0.41 -1.28 -1.14 0.00 0.00 176.83 174.42 3k1i h SER 36 N -0.48 0.39 -0.03 3.07 0.87 -1.40 0.27 113.55 116.23 3k1i h SER 36 Ca 0.04 0.14 -0.00 0.00 -1.23 0.00 0.00 61.79 60.74 3k1i h SER 36 Cb 0.53 0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.59 3k1i h SER 36 CO -0.20 0.05 0.01 1.56 -0.53 0.00 0.00 176.83 177.72 3k1i h GLN 37 N 0.46 0.04 -0.99 2.24 1.08 0.14 -0.93 115.11 117.16 3k1i h GLN 37 Ca 0.54 -0.01 0.17 0.00 -1.45 0.00 0.00 58.65 57.90 3k1i h GLN 37 Cb 0.97 -0.01 -0.10 0.00 -0.05 0.00 0.00 27.48 28.29 3k1i h GLN 37 CO -0.49 0.26 0.59 0.00 -0.95 0.00 0.00 178.83 178.25 3k1i h ALA 38 N 0.78 1.59 -0.46 3.87 0.00 0.57 -1.65 119.26 123.96 3k1i h ALA 38 Ca 0.01 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3k1i h ALA 38 Cb 0.23 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3k1i h ALA 38 CO 0.00 -0.00 0.29 -0.22 0.00 0.00 0.00 179.25 179.32 3k1i h LYS 39 N 0.79 0.57 -0.45 0.00 3.64 0.08 -2.69 116.57 118.52 3k1i h LYS 39 Ca 0.55 -0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.97 3k1i h LYS 39 Cb 0.79 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.46 3k1i h LYS 39 CO -0.36 0.38 0.30 0.00 -2.27 0.00 0.00 179.45 177.50 3k1i h ARG 40 N 0.59 0.28 0.00 1.90 2.47 -0.29 -2.87 114.38 116.46 3k1i h ARG 40 Ca 0.17 -0.02 -0.15 0.00 -1.26 0.00 0.00 59.98 58.73 3k1i h ARG 40 Cb -0.04 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.20 3k1i h ARG 40 CO -0.06 0.19 -0.72 0.00 0.56 0.00 0.00 179.97 179.94 3k1i h ILE 42 N 0.00 1.40 -0.04 0.00 2.04 -1.30 0.22 117.51 119.83 3k1i h ILE 42 Ca -0.01 -1.18 -0.00 0.00 1.00 0.00 0.00 64.86 64.67 3k1i h ILE 42 Cb 1.43 2.19 -0.00 0.00 -0.74 0.00 0.00 36.82 39.70 3k1i h ILE 42 CO 0.09 0.31 0.02 -0.33 0.00 0.00 0.00 178.15 178.24 3k1i h GLU 43 N -0.49 0.06 0.00 2.37 5.08 -1.55 -2.83 114.58 117.22 3k1i h GLU 43 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3k1i h GLU 43 Cb 0.50 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.75 3k1i h GLU 43 CO 0.00 0.19 0.00 0.09 -1.00 0.00 0.00 179.01 178.29 3k1i n ASN 44 N -4.98 0.00 -1.97 1.42 4.13 0.30 -4.91 115.26 109.24 3k1i n ASN 44 Ca -0.07 0.18 -0.19 0.00 1.68 0.00 0.00 54.58 56.19 3k1i n ASN 44 Cb 0.10 -0.36 -0.03 0.00 -1.54 0.00 0.00 39.78 37.95 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 -1.36 -1.46 -3.06 3.52 1.02 0.62 -4.95 120.64 114.97 3k1i n GLU 45 Ca 0.08 0.98 -0.45 0.00 -0.02 0.00 0.00 57.16 57.75 3k1i n GLU 45 Cb 0.18 -5.46 -0.04 0.00 -0.02 0.00 0.00 31.44 26.10 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 -2.32 6.33 0.07 1.62 -1.08 -0.30 -4.97 116.67 116.01 3k1i s ASP 46 Ca 0.00 -1.62 -0.28 0.00 -0.52 0.00 0.00 52.55 50.13 3k1i s ASP 46 Cb 0.00 -2.33 -0.13 0.00 -1.46 0.00 0.00 42.92 39.00 3k1i s ASP 46 CO 0.00 -1.09 1.43 0.40 0.52 0.00 0.00 175.17 176.43 3k1i h ILE 47 N 5.79 0.00 -0.36 4.11 1.08 -1.93 -1.51 117.51 124.70 3k1i h ILE 47 Ca -0.17 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.37 3k1i h ILE 47 Cb 1.07 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 34.73 3k1i h ILE 47 CO 1.08 0.00 -0.37 -0.33 -0.69 0.00 0.00 178.15 177.84 3k1i h GLU 48 N -0.79 -0.30 -0.67 2.37 5.08 -1.98 -0.12 114.58 118.17 3k1i h GLU 48 Ca -0.05 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.42 3k1i h GLU 48 Cb 0.68 0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.93 3k1i h GLU 48 CO -0.05 -0.20 0.32 0.87 -1.00 0.00 0.00 179.01 178.95 3k1i h LYS 49 N -0.31 0.53 -1.00 2.33 1.57 -1.97 0.16 116.57 117.88 3k1i h LYS 49 Ca 0.15 -0.03 0.12 0.00 -1.87 0.00 0.00 60.65 59.01 3k1i h LYS 49 Cb 0.57 -0.12 -0.08 0.00 0.08 0.00 0.00 32.23 32.67 3k1i h LYS 49 CO -0.53 0.35 0.63 -0.22 -0.57 0.00 0.00 179.45 179.12 3k1i h LYS 50 N 0.55 0.96 0.01 3.15 3.64 -0.01 0.94 116.57 125.81 3k1i h LYS 50 Ca 0.33 -0.06 -0.27 0.00 -1.27 0.00 0.00 60.65 59.39 3k1i h LYS 50 Cb 0.36 -0.22 0.02 0.00 -0.41 0.00 0.00 32.23 31.99 3k1i h LYS 50 CO -0.27 0.63 -1.06 0.82 -2.27 0.00 0.00 179.45 177.29 3k1i h ILE 51 N 0.99 1.28 -0.94 2.00 2.04 0.15 -0.71 117.51 122.32 3k1i h ILE 51 Ca 0.49 -2.28 0.08 0.00 1.00 0.00 0.00 64.86 64.16 3k1i h ILE 51 Cb 0.49 2.41 -0.07 0.00 -0.74 0.00 0.00 36.82 38.92 3k1i h ILE 51 CO -0.26 0.70 0.59 0.22 0.00 0.00 0.00 178.15 179.40 3k1i h TYR 52 N 0.38 1.08 -0.20 1.37 3.20 -0.16 -1.74 116.97 120.90 3k1i h TYR 52 Ca -0.14 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.67 3k1i h TYR 52 Cb 1.72 -0.35 -0.00 0.00 1.54 0.00 0.00 36.73 39.64 3k1i h TYR 52 CO 0.10 0.51 -0.23 1.88 -1.64 0.00 0.00 178.16 178.78 3k1i h TYR 53 N 1.02 0.62 -0.12 -3.82 0.05 -0.65 -1.38 116.97 112.69 3k1i h TYR 53 Ca 0.43 -0.20 0.04 0.00 0.05 0.00 0.00 58.73 59.05 3k1i h TYR 53 Cb 0.27 -0.13 -0.05 0.00 1.01 0.00 0.00 36.73 37.83 3k1i h TYR 53 CO -0.02 0.88 -0.21 0.82 -1.05 0.00 0.00 178.16 178.59 3k1i h ILE 54 N 0.18 0.48 0.00 -2.88 1.08 -0.85 0.37 117.51 115.90 3k1i h ILE 54 Ca 0.03 0.00 -0.07 0.00 -0.39 0.00 0.00 64.86 64.43 3k1i h ILE 54 Cb 0.79 0.48 -0.01 0.00 -3.07 0.00 0.00 36.82 35.02 3k1i h ILE 54 CO 0.06 0.00 -0.32 0.78 -0.69 0.00 0.00 178.15 177.98 3k1i h ASN 55 N -0.27 0.00 -0.37 1.72 2.35 -1.38 0.13 115.58 117.76 3k1i h ASN 55 Ca 0.10 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.71 3k1i h ASN 55 Cb 0.41 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 3k1i h ASN 55 CO -0.28 0.32 -0.28 -0.09 -1.65 0.00 0.00 177.43 175.45 3k1i h ARG 56 N 0.00 0.90 -0.34 0.81 9.65 -0.59 -1.27 114.38 123.54 3k1i h ARG 56 Ca -0.00 -0.41 -0.14 0.00 -1.10 0.00 0.00 59.98 58.32 3k1i h ARG 56 Cb 0.68 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.24 3k1i h ARG 56 CO 0.04 1.06 -0.36 0.28 2.80 0.00 0.00 179.97 183.79 3k1i h VAL 57 N 0.76 1.28 0.00 0.20 2.07 0.61 -2.86 116.25 118.31 3k1i h VAL 57 Ca 0.09 -1.53 -0.00 0.00 0.82 0.00 0.00 66.70 66.07 3k1i h VAL 57 Cb 0.85 1.41 -0.00 0.00 -1.52 0.00 0.00 31.29 32.03 3k1i h VAL 57 CO 0.07 0.50 -0.01 0.00 0.02 0.00 0.00 177.57 178.15 3k1i h THR 58 N 0.65 0.03 0.12 2.57 1.03 -0.70 -2.85 112.91 113.74 3k1i h THR 58 Ca 0.06 -0.78 -0.01 0.00 -0.01 0.00 0.00 66.41 65.68 3k1i h THR 58 Cb 0.91 1.76 0.00 0.00 -1.07 0.00 0.00 68.15 69.75 3k1i h THR 58 CO 0.08 0.01 -0.06 0.44 -0.01 0.00 0.00 175.52 175.99 3k1i h ASP 59 N 0.00 -0.13 -0.90 0.00 3.32 -1.00 -0.98 116.42 116.73 3k1i h ASP 59 Ca -0.00 -0.09 0.02 0.00 0.02 0.00 0.00 57.03 56.97 3k1i h ASP 59 Cb 0.75 0.03 -0.05 0.00 0.22 0.00 0.00 39.33 40.29 3k1i h ASP 59 CO 0.00 0.01 0.59 0.40 -1.72 0.00 0.00 179.24 178.52 3k1i h ILE 60 N -0.27 1.20 0.00 0.35 2.04 -1.47 0.22 117.51 119.58 3k1i h ILE 60 Ca -0.02 -0.41 -0.02 0.00 1.00 0.00 0.00 64.86 65.41 3k1i h ILE 60 Cb 0.22 -0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.20 3k1i h ILE 60 CO 0.03 0.22 -0.10 -0.26 0.00 0.00 0.00 178.15 178.03 3k1i h PHE 61 N 1.19 0.00 0.04 1.37 0.04 -1.49 -0.20 116.94 117.89 3k1i h PHE 61 Ca 0.34 0.00 -0.24 0.00 2.80 0.00 0.00 57.97 60.87 3k1i h PHE 61 Cb -0.09 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.06 3k1i h PHE 61 CO -0.01 0.10 -1.04 1.15 -0.60 0.00 0.00 178.31 177.92 3k1i h THR 62 N 0.00 1.42 -0.24 -1.55 2.02 0.60 -2.10 112.91 113.05 3k1i h THR 62 Ca -0.00 -2.62 -0.03 0.00 0.77 0.00 0.00 66.41 64.54 3k1i h THR 62 Cb 0.22 2.58 -0.01 0.00 -1.74 0.00 0.00 68.15 69.19 3k1i h THR 62 CO 0.01 0.78 0.05 -0.08 0.37 0.00 0.00 175.52 176.65 3k1i h GLU 63 N 0.19 0.39 -0.06 6.66 4.81 -0.05 -2.43 114.58 124.08 3k1i h GLU 63 Ca -0.10 -0.10 -0.04 0.00 -0.13 0.00 0.00 59.36 58.99 3k1i h GLU 63 Cb 1.70 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 31.02 3k1i h GLU 63 CO 0.18 0.51 -0.14 -0.07 -0.73 0.00 0.00 179.01 178.76 3k1i h LEU 64 N 0.21 0.09 -0.56 1.64 3.38 -1.11 -2.28 115.31 116.68 3k1i h LEU 64 Ca 0.07 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 3k1i h LEU 64 Cb 0.30 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3k1i h LEU 64 CO 0.00 0.25 -0.41 0.25 0.09 0.00 0.00 178.44 178.62 3k1i h LEU 65 N 0.10 0.00 0.00 1.67 5.85 -1.11 -3.11 115.31 118.70 3k1i h LEU 65 Ca 0.02 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.61 3k1i h LEU 65 Cb 0.31 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 3k1i h LEU 65 CO 0.02 0.41 -1.09 0.78 -0.34 0.00 0.00 178.44 178.22 3k1i h ASN 66 N 0.00 0.00 1.42 1.25 2.35 -0.97 -3.19 115.58 116.44 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 1.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.46 3k1i h ASN 66 CO 0.05 0.49 0.00 0.40 -1.65 0.00 0.00 177.43 176.72 3k1i h ILE 67 N 0.00 0.00 -3.80 2.81 2.04 -1.38 -3.46 117.51 113.72 3k1i h ILE 67 Ca -0.10 -0.61 -0.55 0.00 1.00 0.00 0.00 64.86 64.60 3k1i h ILE 67 Cb 1.46 1.57 0.12 0.00 -0.74 0.00 0.00 36.82 39.22 3k1i h ILE 67 CO 0.05 0.00 0.66 0.18 0.00 0.00 0.00 178.15 179.04 3k1i n LEU 68 N -2.71 4.65 -3.93 1.44 4.32 -1.18 -5.00 117.00 114.59 3k1i n LEU 68 Ca 0.03 1.16 -0.31 0.00 -0.02 0.00 0.00 56.01 56.88 3k1i n LEU 68 Cb 0.40 -1.58 -0.15 0.00 -1.62 0.00 0.00 43.42 40.48 3k1i n LEU 68 CO 0.29 -0.19 -0.32 -0.62 -1.22 0.00 0.00 177.39 175.33 3k1i s ASP 69 N -0.37 4.51 -1.58 -1.43 2.15 -1.26 -5.02 116.67 113.66 3k1i s ASP 69 Ca 0.58 -2.07 -0.10 0.00 0.43 0.00 0.00 52.55 51.40 3k1i s ASP 69 Cb -0.48 -1.40 -0.08 0.00 -0.30 0.00 0.00 42.92 40.67 3k1i s ASP 69 CO 0.60 -0.38 2.93 -1.22 -0.17 0.00 0.00 175.17 176.93 3k1i n TYR 70 N 4.34 2.40 0.00 -5.34 4.01 -1.26 -3.31 117.16 118.00 3k1i n TYR 70 Ca 0.02 -3.06 0.00 0.00 -0.16 0.00 0.00 57.90 54.71 3k1i n TYR 70 Cb 0.41 -2.43 0.00 0.00 -0.31 0.00 0.00 39.34 37.01 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 3.42 0.00 -0.04 -0.72 1.02 -1.26 -4.87 120.64 118.18 3k1i n GLU 71 Ca 0.77 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.77 3k1i n GLU 71 Cb 0.24 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.58 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 0.33 0.00 3.49 1.57 -2.03 -3.39 116.57 116.54 3k1i h LYS 72 Ca 0.00 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.55 3k1i h LYS 72 Cb 0.00 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 3k1i h LYS 72 CO 0.00 0.83 -0.03 0.78 -0.57 0.00 0.00 179.45 180.46 3k1i h GLY 73 N -0.12 0.00 0.00 3.86 0.00 -1.94 -3.47 103.07 101.41 3k1i h GLY 73 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3k1i h GLY 73 CO 0.05 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.20 3k1i n GLY 74 N 1.69 0.32 0.25 4.60 0.00 -1.24 -2.67 105.19 108.13 3k1i n GLY 74 Ca -0.06 0.40 -0.07 0.00 0.00 0.00 0.00 46.02 46.29 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 -0.26 0.16 1.61 2.13 -1.26 0.10 120.64 123.12 3k1i n GLU 75 Ca 0.00 1.28 -0.14 0.00 0.66 0.00 0.00 57.16 58.96 3k1i n GLU 75 Cb 0.00 -1.90 -0.08 0.00 0.27 0.00 0.00 31.44 29.73 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 0.76 -0.60 6.31 2.07 -1.91 -2.60 116.25 120.28 3k1i h VAL 76 Ca 0.10 -0.18 0.09 0.00 0.82 0.00 0.00 66.70 67.53 3k1i h VAL 76 Cb 0.24 0.87 -0.11 0.00 -1.52 0.00 0.00 31.29 30.77 3k1i h VAL 76 CO -0.56 0.04 -0.41 0.00 0.02 0.00 0.00 177.57 176.66 3k1i h ALA 77 N 0.26 -0.24 -0.67 1.67 0.00 -1.43 0.33 119.26 119.18 3k1i h ALA 77 Ca -0.04 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3k1i h ALA 77 Cb 0.34 0.92 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 3k1i h ALA 77 CO 0.06 -0.78 0.38 0.28 0.00 0.00 0.00 179.25 179.19 3k1i h VAL 78 N -0.20 1.19 -0.03 0.00 2.07 0.63 -1.14 116.25 118.78 3k1i h VAL 78 Ca 0.20 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 3k1i h VAL 78 Cb 0.56 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 3k1i h VAL 78 CO -0.70 0.21 -0.02 0.22 0.02 0.00 0.00 177.57 177.30 3k1i h TYR 79 N 0.92 0.07 -0.05 1.57 3.20 -0.40 -2.10 116.97 120.19 3k1i h TYR 79 Ca 0.24 -0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.03 3k1i h TYR 79 Cb -0.01 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 3k1i h TYR 79 CO 0.00 0.48 -0.25 -0.07 -1.64 0.00 0.00 178.16 176.68 3k1i h LEU 80 N -0.35 0.09 -0.25 2.82 3.38 -0.36 -1.39 115.31 119.25 3k1i h LEU 80 Ca 0.01 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.97 3k1i h LEU 80 Cb 0.46 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 3k1i h LEU 80 CO 0.00 0.34 0.11 0.74 0.09 0.00 0.00 178.44 179.72 3k1i h THR 81 N 0.08 0.97 -0.37 0.22 2.02 -1.13 0.37 112.91 115.07 3k1i h THR 81 Ca 0.01 -0.08 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 3k1i h THR 81 Cb 0.49 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 3k1i h THR 81 CO 0.04 0.04 0.20 1.23 0.37 0.00 0.00 175.52 177.39 3k1i h GLY 82 N 0.23 0.56 0.77 2.16 0.00 -0.61 -0.48 103.07 105.70 3k1i h GLY 82 Ca 0.10 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 3k1i h GLY 82 CO -0.09 0.25 -0.33 -2.00 0.00 0.00 0.00 176.54 174.37 3k1i h LEU 83 N 0.47 -0.86 0.00 3.11 5.85 -1.16 0.13 115.31 122.85 3k1i h LEU 83 Ca 0.13 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.93 3k1i h LEU 83 Cb 0.07 0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 3k1i h LEU 83 CO -0.02 -0.50 -0.09 1.88 -0.34 0.00 0.00 178.44 179.37 3k1i h TYR 84 N -0.77 -0.23 -0.45 1.25 0.05 -0.13 0.22 116.97 116.91 3k1i h TYR 84 Ca -0.05 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.72 3k1i h TYR 84 Cb 0.65 0.10 -0.02 0.00 1.01 0.00 0.00 36.73 38.47 3k1i h TYR 84 CO -0.14 -0.14 0.18 1.79 -1.05 0.00 0.00 178.16 178.80 3k1i h THR 85 N -0.16 1.17 -0.43 -2.88 1.35 -1.09 -1.20 112.91 109.67 3k1i h THR 85 Ca 0.03 -0.51 -0.02 0.00 -0.55 0.00 0.00 66.41 65.36 3k1i h THR 85 Cb 0.20 0.63 -0.02 0.00 -1.73 0.00 0.00 68.15 67.23 3k1i h THR 85 CO -0.09 0.20 0.19 -0.74 -0.25 0.00 0.00 175.52 174.83 3k1i h HIS 86 N 0.63 0.63 -0.82 4.73 -0.00 -0.05 -2.06 115.15 118.21 3k1i h HIS 86 Ca 0.16 -0.04 0.01 0.00 -0.00 0.00 0.00 60.37 60.49 3k1i h HIS 86 Cb 0.12 -0.19 -0.04 0.00 -0.00 0.00 0.00 27.41 27.30 3k1i h HIS 86 CO 0.01 0.54 0.54 1.96 -0.00 0.00 0.00 177.93 180.97 3k1i h GLN 87 N 0.54 1.08 -0.41 5.26 1.08 0.63 -0.26 115.11 123.04 3k1i h GLN 87 Ca 0.14 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 57.27 3k1i h GLN 87 Cb 0.16 -0.24 -0.02 0.00 -0.05 0.00 0.00 27.48 27.33 3k1i h GLN 87 CO -0.01 0.72 0.23 0.82 -0.95 0.00 0.00 178.83 179.63 3k1i h ILE 88 N 1.12 1.15 -1.01 2.54 2.04 -1.27 -0.04 117.51 122.04 3k1i h ILE 88 Ca 0.30 -0.39 0.03 0.00 1.00 0.00 0.00 64.86 65.80 3k1i h ILE 88 Cb -0.12 0.66 -0.05 0.00 -0.74 0.00 0.00 36.82 36.57 3k1i h ILE 88 CO -0.06 0.16 0.66 0.50 0.00 0.00 0.00 178.15 179.41 3k1i h LYS 89 N 0.53 1.28 -0.32 2.37 3.64 -0.54 -2.07 116.57 121.46 3k1i h LYS 89 Ca 0.14 -0.08 -0.11 0.00 -1.27 0.00 0.00 60.65 59.34 3k1i h LYS 89 Cb 0.05 -0.29 -0.01 0.00 -0.41 0.00 0.00 32.23 31.58 3k1i h LYS 89 CO -0.02 0.85 -0.21 0.28 -2.27 0.00 0.00 179.45 178.07 3k1i h VAL 90 N 1.32 1.29 -0.73 2.00 2.07 -0.66 -2.49 116.25 119.05 3k1i h VAL 90 Ca 0.39 -1.35 0.14 0.00 0.82 0.00 0.00 66.70 66.70 3k1i h VAL 90 Cb -0.07 1.47 -0.10 0.00 -1.52 0.00 0.00 31.29 31.07 3k1i h VAL 90 CO -0.11 0.44 0.26 -0.07 0.02 0.00 0.00 177.57 178.11 3k1i h LEU 91 N 0.47 0.21 -0.70 2.57 3.38 -0.72 -0.53 115.31 119.99 3k1i h LEU 91 Ca 0.06 0.12 -0.10 0.00 0.09 0.00 0.00 57.88 58.05 3k1i h LEU 91 Cb 0.76 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 3k1i h LEU 91 CO 0.06 0.07 -0.10 0.74 0.09 0.00 0.00 178.44 179.30 3k1i h THR 92 N 0.39 1.26 -0.71 0.22 2.02 -1.14 -1.95 112.91 113.01 3k1i h THR 92 Ca 0.40 -1.21 -0.04 0.00 0.77 0.00 0.00 66.41 66.33 3k1i h THR 92 Cb 0.62 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 68.00 3k1i h THR 92 CO -0.42 0.42 0.28 1.56 0.37 0.00 0.00 175.52 177.73 3k1i h GLN 93 N 0.81 1.06 -0.99 6.66 4.20 -0.81 0.13 115.11 126.16 3k1i h GLN 93 Ca 0.13 -0.19 0.09 0.00 0.06 0.00 0.00 58.65 58.74 3k1i h GLN 93 Cb 0.62 -0.17 -0.07 0.00 0.30 0.00 0.00 27.48 28.16 3k1i h GLN 93 CO 0.04 0.87 0.63 0.00 -0.67 0.00 0.00 178.83 179.70 3k1i h ALA 94 N 1.13 1.43 0.65 3.87 0.00 -0.70 -1.22 119.26 124.42 3k1i h ALA 94 Ca 0.24 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 3k1i h ALA 94 Cb 0.21 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.75 3k1i h ALA 94 CO -0.02 0.34 -0.31 -0.97 0.00 0.00 0.00 179.25 178.28 3k1i h ASN 95 N 1.08 -0.74 -0.52 0.00 -1.24 -0.71 0.46 115.58 113.91 3k1i h ASN 95 Ca 0.46 0.03 0.10 0.00 0.71 0.00 0.00 56.30 57.59 3k1i h ASN 95 Cb 0.31 0.19 -0.09 0.00 0.73 0.00 0.00 38.32 39.46 3k1i h ASN 95 CO -0.21 -0.42 -0.03 0.58 -1.29 0.00 0.00 177.43 176.05 3k1i h VAL 96 N -1.11 0.56 -0.53 2.57 2.07 -0.66 -2.26 116.25 116.89 3k1i h VAL 96 Ca -0.09 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.40 3k1i h VAL 96 Cb 0.67 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 3k1i h VAL 96 CO 0.15 0.01 0.00 -1.84 0.02 0.00 0.00 177.57 175.91 3k1i n GLU 97 N -5.28 4.55 -4.27 1.57 0.28 -0.47 -4.97 120.64 112.05 3k1i n GLU 97 Ca 0.06 -3.11 -0.31 0.00 -0.16 0.00 0.00 57.16 53.64 3k1i n GLU 97 Cb 0.28 -2.19 -0.09 0.00 1.43 0.00 0.00 31.44 30.88 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 0.48 0.58 -4.27 -1.84 3.02 0.13 -4.86 115.26 108.50 3k1i n ASN 98 Ca 0.27 -1.26 -0.44 0.00 -0.03 0.00 0.00 54.58 53.12 3k1i n ASN 98 Cb 1.14 -1.72 -0.06 0.00 -0.61 0.00 0.00 39.78 38.52 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 -4.34 6.02 0.52 6.41 -1.08 0.83 -4.91 116.67 120.12 3k1i s ASP 99 Ca 0.03 -1.97 0.21 0.00 -0.52 0.00 0.00 52.55 50.30 3k1i s ASP 99 Cb -0.01 -2.12 1.32 0.00 -1.46 0.00 0.00 42.92 40.65 3k1i s ASP 99 CO 0.99 -0.75 2.06 0.00 0.52 0.00 0.00 175.17 177.99 3k1i h ALA 100 N 8.54 2.27 0.00 3.66 0.00 -1.89 -1.56 119.26 130.28 3k1i h ALA 100 Ca -0.21 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.57 3k1i h ALA 100 Cb 1.08 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 3k1i h ALA 100 CO 0.93 -0.36 -0.57 0.66 0.00 0.00 0.00 179.25 179.91 3k1i h SER 101 N 0.03 0.00 0.11 0.00 4.64 -1.98 -2.59 113.55 113.76 3k1i h SER 101 Ca 0.15 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.33 3k1i h SER 101 Cb 0.57 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.65 3k1i h SER 101 CO -0.01 0.57 -0.51 0.11 -0.87 0.00 0.00 176.83 176.13 3k1i h LYS 102 N 0.00 0.45 -0.68 4.77 1.57 -1.68 -2.71 116.57 118.29 3k1i h LYS 102 Ca -0.01 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.50 3k1i h LYS 102 Cb 1.33 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.63 3k1i h LYS 102 CO 0.07 0.85 0.37 0.97 -0.57 0.00 0.00 179.45 181.15 3k1i h ILE 103 N 0.35 1.21 -0.98 1.86 6.09 -1.30 -2.36 117.51 122.39 3k1i h ILE 103 Ca 0.01 -0.54 0.19 0.00 -1.37 0.00 0.00 64.86 63.16 3k1i h ILE 103 Cb 1.01 0.33 -0.09 0.00 0.47 0.00 0.00 36.82 38.54 3k1i h ILE 103 CO 0.09 0.23 0.61 0.44 -3.07 0.00 0.00 178.15 176.46 3k1i h ASP 104 N 0.93 0.67 -0.22 2.19 3.32 -1.27 0.23 116.42 122.27 3k1i h ASP 104 Ca 0.24 0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.30 3k1i h ASP 104 Cb 0.04 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 3k1i h ASP 104 CO -0.04 0.25 -0.07 -0.07 -1.72 0.00 0.00 179.24 177.60 3k1i h LEU 105 N 0.66 0.55 -0.01 1.55 3.38 -1.11 -0.20 115.31 120.13 3k1i h LEU 105 Ca 0.54 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 58.28 3k1i h LEU 105 Cb 0.98 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.59 3k1i h LEU 105 CO -0.31 0.66 -0.40 0.58 0.09 0.00 0.00 178.44 179.07 3k1i h VAL 106 N 0.53 1.49 -1.04 1.22 2.07 -0.79 -3.01 116.25 116.73 3k1i h VAL 106 Ca 0.10 -1.99 0.32 0.00 0.82 0.00 0.00 66.70 65.96 3k1i h VAL 106 Cb 0.45 2.67 -0.14 0.00 -1.52 0.00 0.00 31.29 32.75 3k1i h VAL 106 CO 0.02 0.56 0.61 -0.07 0.02 0.00 0.00 177.57 178.72 3k1i h LEU 107 N -0.32 0.50 0.20 2.57 3.38 -0.07 0.91 115.31 122.48 3k1i h LEU 107 Ca -0.05 0.17 -0.33 0.00 0.09 0.00 0.00 57.88 57.76 3k1i h LEU 107 Cb 1.13 0.11 0.02 0.00 0.09 0.00 0.00 40.66 42.01 3k1i h LEU 107 CO 0.08 -0.09 -1.51 0.78 0.09 0.00 0.00 178.44 177.79 3k1i h ASN 108 N 0.33 0.67 -0.72 -0.43 2.35 -1.07 0.24 115.58 116.94 3k1i h ASN 108 Ca 0.72 -0.79 -0.02 0.00 -0.55 0.00 0.00 56.30 55.66 3k1i h ASN 108 Cb 1.71 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 39.83 3k1i h ASN 108 CO -0.54 1.63 0.38 0.58 -1.65 0.00 0.00 177.43 177.83 3k1i h VAL 109 N 0.12 1.23 0.14 2.81 2.07 -1.33 0.14 116.25 121.42 3k1i h VAL 109 Ca -0.25 -0.60 -0.01 0.00 0.82 0.00 0.00 66.70 66.66 3k1i h VAL 109 Cb 2.10 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 32.17 3k1i h VAL 109 CO 0.23 0.26 -0.07 0.00 0.02 0.00 0.00 177.57 178.01 3k1i h ALA 110 N 1.19 -0.19 -0.82 1.67 0.00 -0.79 -0.47 119.26 119.85 3k1i h ALA 110 Ca 0.25 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.07 3k1i h ALA 110 Cb 0.07 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3k1i h ALA 110 CO -0.04 -0.54 0.54 -0.09 0.00 0.00 0.00 179.25 179.12 3k1i h ARG 111 N -0.32 1.09 -0.91 0.00 2.43 -0.38 -2.13 114.38 114.15 3k1i h ARG 111 Ca -0.02 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 59.09 3k1i h ARG 111 Cb 0.26 -0.24 -0.05 0.00 -0.42 0.00 0.00 29.97 29.52 3k1i h ARG 111 CO 0.03 0.72 0.60 0.78 -1.51 0.00 0.00 179.97 180.60 3k1i h GLY 112 N 1.12 1.29 1.63 2.80 0.00 -0.43 -2.62 103.07 106.86 3k1i h GLY 112 Ca 0.30 -0.48 -0.13 0.00 0.00 0.00 0.00 47.33 47.03 3k1i h GLY 112 CO -0.06 0.46 -0.44 1.41 0.00 0.00 0.00 176.54 177.91 3k1i h LEU 113 N 1.23 0.43 0.48 3.11 3.38 -0.64 -2.97 115.31 120.33 3k1i h LEU 113 Ca 0.34 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 3k1i h LEU 113 Cb -0.13 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.50 3k1i h LEU 113 CO -0.08 0.82 -0.23 0.25 0.09 0.00 0.00 178.44 179.29 3k1i h LEU 114 N 0.33 -0.54 0.00 1.67 5.85 -1.03 -0.38 115.31 121.20 3k1i h LEU 114 Ca 0.02 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3k1i h LEU 114 Cb 0.91 0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.08 3k1i h LEU 114 CO 0.08 -0.29 0.00 -1.84 -0.34 0.00 0.00 178.44 176.05 3k1i n GLU 115 N -4.28 0.52 -0.04 1.25 0.28 -1.07 -0.78 120.64 116.52 3k1i n GLU 115 Ca -0.08 0.03 -0.20 0.00 -0.16 0.00 0.00 57.16 56.75 3k1i n GLU 115 Cb 0.25 -1.50 -0.13 0.00 1.43 0.00 0.00 31.44 31.49 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 3.16 0.15 0.00 -1.84 0.00 -1.47 -3.28 119.26 115.98 3k1i h ALA 116 Ca 0.00 -0.97 -0.02 0.00 0.00 0.00 0.00 54.91 53.92 3k1i h ALA 116 Cb 0.06 0.43 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 3k1i h ALA 116 CO 0.00 0.59 -0.10 2.35 0.00 0.00 0.00 179.25 182.09 3k1i h TRP 117 N -0.65 0.00 0.00 0.00 2.91 -0.09 -2.38 115.95 115.74 3k1i h TRP 117 Ca -0.24 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.78 3k1i h TRP 117 Cb 1.46 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 30.11 3k1i h TRP 117 CO 0.16 0.10 -0.07 0.54 -1.03 0.00 0.00 178.44 178.13 3k1i n ARG 118 N -3.75 0.25 0.04 2.65 1.74 0.04 -2.48 116.66 115.14 3k1i n ARG 118 Ca -0.02 0.19 -0.18 0.00 -0.77 0.00 0.00 57.85 57.07 3k1i n ARG 118 Cb 0.20 -1.78 -0.14 0.00 -1.02 0.00 0.00 32.46 29.72 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 0.24 0.00 5.56 4.57 -1.48 -3.13 114.58 120.33 3k1i h GLU 119 Ca 0.00 -0.41 0.00 0.00 -1.18 0.00 0.00 59.36 57.77 3k1i h GLU 119 Cb 0.73 0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.47 3k1i h GLU 119 CO 0.00 1.08 -0.40 -0.89 -1.18 0.00 0.00 179.01 177.62 3k1i n ILE 120 N -3.42 0.40 -2.56 2.32 5.41 -1.15 -3.96 119.36 116.40 3k1i n ILE 120 Ca -0.22 -0.25 -0.12 0.00 1.00 0.00 0.00 62.75 63.16 3k1i n ILE 120 Cb 1.05 -0.26 0.03 0.00 -0.71 0.00 0.00 39.64 39.75 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 -2.10 1.87 0.30 1.39 8.25 -1.04 -4.90 115.22 119.00 3k1i n HIS 121 Ca 0.04 -2.48 0.20 0.00 -0.26 0.00 0.00 57.72 55.22 3k1i n HIS 121 Cb 0.43 -0.27 1.06 0.00 1.12 0.00 0.00 29.99 32.33 3k1i n HIS 121 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3k1i h SER 122 N 2.62 0.00 0.00 0.41 0.87 -1.67 -3.44 113.55 112.34 3k1i h SER 122 Ca 0.05 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 3k1i h SER 122 Cb 1.25 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 3k1i h SER 122 CO 0.49 0.00 0.00 -0.90 -0.53 0.00 0.00 176.83 175.89 3k1i n ASP 123 N -2.89 0.00 0.00 6.23 5.68 -1.26 -5.10 116.55 119.21 3k1i n ASP 123 Ca -0.02 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.27 3k1i n ASP 123 Cb 0.07 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.05 3k1i n ASP 123 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03