#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lkp s SER 3 N 0.00 6.06 0.16 -5.58 0.15 -1.26 -4.94 113.70 108.28 1lkp s SER 3 Ca 0.00 2.72 0.23 0.00 0.70 0.00 0.00 55.95 59.60 1lkp s SER 3 Cb 0.00 -2.64 0.10 0.00 -1.71 0.00 0.00 66.02 61.77 1lkp s SER 3 CO 0.00 -1.03 1.12 0.18 1.20 0.00 0.00 173.24 174.70 1lkp n LEU 4 N -0.14 0.77 -4.38 3.45 4.77 -1.26 -4.93 117.00 115.29 1lkp n LEU 4 Ca 0.05 0.25 -0.62 0.00 -0.03 0.00 0.00 56.01 55.66 1lkp n LEU 4 Cb 0.43 -0.10 -0.09 0.00 -2.33 0.00 0.00 43.42 41.33 1lkp n LEU 4 CO 0.56 -0.12 1.01 0.29 -1.33 0.00 0.00 177.39 177.80 1lkp n LYS 5 N -2.42 0.00 -0.85 3.23 4.76 -1.26 -0.95 118.16 120.67 1lkp n LYS 5 Ca 0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 1lkp n LYS 5 Cb 0.50 -1.39 0.00 0.00 -1.84 0.00 0.00 35.03 32.30 1lkp n LYS 5 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1lkp n GLY 6 N 3.47 0.60 3.90 0.72 0.00 -1.26 -5.01 105.19 107.62 1lkp n GLY 6 Ca 0.28 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.01 1lkp n GLY 6 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1lkp s SER 7 N -2.56 5.57 0.22 1.61 1.04 -0.12 -4.97 113.70 114.49 1lkp s SER 7 Ca 0.00 0.92 0.03 0.00 0.48 0.00 0.00 55.95 57.38 1lkp s SER 7 Cb 0.00 -1.84 0.20 0.00 0.10 0.00 0.00 66.02 64.48 1lkp s SER 7 CO 0.00 -1.16 1.53 0.03 0.98 0.00 0.00 173.24 174.62 1lkp h ARG 8 N -0.38 0.30 -0.91 4.02 3.08 -1.95 -3.09 114.38 115.46 1lkp h ARG 8 Ca -0.45 -0.21 -0.00 0.00 0.07 0.00 0.00 59.98 59.38 1lkp h ARG 8 Cb 1.25 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 31.29 1lkp h ARG 8 CO 0.62 0.83 0.55 1.15 -1.07 0.00 0.00 179.97 182.04 1lkp h THR 9 N 0.22 1.25 -0.45 2.04 2.02 -1.90 0.19 112.91 116.27 1lkp h THR 9 Ca -0.01 -0.54 0.03 0.00 0.77 0.00 0.00 66.41 66.66 1lkp h THR 9 Cb 1.14 -0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.48 1lkp h THR 9 CO 0.10 0.26 0.25 -0.08 0.37 0.00 0.00 175.52 176.42 1lkp h GLU 10 N 1.25 0.49 -0.65 6.66 4.81 -1.75 0.16 114.58 125.55 1lkp h GLU 10 Ca 0.33 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.51 1lkp h GLU 10 Cb -0.06 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.18 1lkp h GLU 10 CO -0.06 0.33 0.33 0.87 -0.73 0.00 0.00 179.01 179.75 1lkp h LYS 11 N 0.51 0.93 -0.50 1.92 6.56 -1.39 -2.37 116.57 122.22 1lkp h LYS 11 Ca 0.19 -0.12 -0.08 0.00 -1.06 0.00 0.00 60.65 59.57 1lkp h LYS 11 Cb 0.05 -0.17 -0.02 0.00 -0.57 0.00 0.00 32.23 31.51 1lkp h LYS 11 CO -0.10 0.72 -0.01 -0.91 -2.06 0.00 0.00 179.45 177.09 1lkp h ASN 12 N 0.89 0.81 -0.36 0.86 2.35 -0.23 -0.46 115.58 119.44 1lkp h ASN 12 Ca 0.23 -0.20 -0.02 0.00 -0.55 0.00 0.00 56.30 55.76 1lkp h ASN 12 Cb 0.09 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 1lkp h ASN 12 CO -0.03 0.88 0.17 0.40 -1.65 0.00 0.00 177.43 177.19 1lkp h ILE 13 N 0.78 1.17 -0.46 2.81 2.04 -0.42 0.98 117.51 124.41 1lkp h ILE 13 Ca 0.15 -0.50 -0.08 0.00 1.00 0.00 0.00 64.86 65.43 1lkp h ILE 13 Cb 0.48 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 1lkp h ILE 13 CO 0.02 0.18 -0.04 0.25 0.00 0.00 0.00 178.15 178.56 1lkp h LEU 14 N 0.44 0.75 -0.51 1.44 5.85 -1.18 0.52 115.31 122.62 1lkp h LEU 14 Ca 0.12 -0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 1lkp h LEU 14 Cb 0.14 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 1lkp h LEU 14 CO -0.01 0.85 0.18 0.74 -0.34 0.00 0.00 178.44 179.85 1lkp h THR 15 N 0.72 1.22 -0.58 1.05 2.02 -0.72 -0.58 112.91 116.05 1lkp h THR 15 Ca 0.13 -0.73 -0.06 0.00 0.77 0.00 0.00 66.41 66.52 1lkp h THR 15 Cb 0.50 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 1lkp h THR 15 CO 0.03 0.27 0.15 0.00 0.37 0.00 0.00 175.52 176.33 1lkp h ALA 16 N 1.03 0.76 -0.80 6.16 0.00 -0.42 -1.85 119.26 124.14 1lkp h ALA 16 Ca 0.17 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1lkp h ALA 16 Cb 0.25 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1lkp h ALA 16 CO -0.01 0.46 0.53 0.35 0.00 0.00 0.00 179.25 180.58 1lkp h PHE 17 N 0.83 1.00 -0.57 0.00 3.57 -0.55 0.22 116.94 121.44 1lkp h PHE 17 Ca 0.18 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.66 1lkp h PHE 17 Cb 0.34 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 1lkp h PHE 17 CO 0.02 0.61 0.19 0.00 -2.23 0.00 0.00 178.31 176.91 1lkp h ALA 18 N 1.31 0.74 -0.36 2.41 0.00 -0.81 -0.55 119.26 121.99 1lkp h ALA 18 Ca 0.30 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 1lkp h ALA 18 Cb -0.09 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1lkp h ALA 18 CO -0.08 0.40 -0.17 0.78 0.00 0.00 0.00 179.25 180.18 1lkp h GLY 19 N 0.80 0.82 1.00 0.00 0.00 -0.83 -2.20 103.07 102.66 1lkp h GLY 19 Ca 0.19 -0.74 0.00 0.00 0.00 0.00 0.00 47.33 46.78 1lkp h GLY 19 CO -0.01 0.67 0.44 0.83 0.00 0.00 0.00 176.54 178.47 1lkp h GLU 20 N 0.55 0.91 -0.58 4.80 4.39 -0.44 -0.67 114.58 123.54 1lkp h GLU 20 Ca 0.08 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 1lkp h GLU 20 Cb 0.71 -0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 29.14 1lkp h GLU 20 CO 0.05 0.62 0.31 0.77 -1.16 0.00 0.00 179.01 179.60 1lkp h SER 21 N 0.92 0.73 -0.27 1.42 0.02 -0.98 -1.45 113.55 113.94 1lkp h SER 21 Ca 0.25 -0.10 -0.13 0.00 -0.84 0.00 0.00 61.79 60.97 1lkp h SER 21 Cb -0.08 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.27 1lkp h SER 21 CO -0.05 0.62 -0.31 1.56 -1.14 0.00 0.00 176.83 177.51 1lkp h GLN 22 N 0.78 0.78 -0.89 3.45 4.20 -1.13 -2.92 115.11 119.38 1lkp h GLN 22 Ca 0.20 -0.36 -0.01 0.00 0.06 0.00 0.00 58.65 58.54 1lkp h GLN 22 Cb 0.06 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.78 1lkp h GLN 22 CO -0.03 0.98 0.51 0.00 -0.67 0.00 0.00 178.83 179.62 1lkp h ALA 23 N 0.99 1.22 -0.18 3.87 0.00 -0.79 -0.88 119.26 123.49 1lkp h ALA 23 Ca 0.07 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1lkp h ALA 23 Cb 0.84 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1lkp h ALA 23 CO 0.07 0.65 0.04 -0.09 0.00 0.00 0.00 179.25 179.92 1lkp h ARG 24 N 1.24 0.11 0.03 0.00 2.43 -1.09 -0.37 114.38 116.73 1lkp h ARG 24 Ca 0.32 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.48 1lkp h ARG 24 Cb -0.01 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 1lkp h ARG 24 CO -0.05 0.07 -0.01 -0.91 -1.51 0.00 0.00 179.97 177.56 1lkp h ASN 25 N 0.11 -0.03 -0.52 -3.80 -0.26 -1.32 -2.10 115.58 107.67 1lkp h ASN 25 Ca 0.08 -0.11 0.07 0.00 -0.56 0.00 0.00 56.30 55.78 1lkp h ASN 25 Cb 0.07 0.01 -0.06 0.00 -1.06 0.00 0.00 38.32 37.28 1lkp h ASN 25 CO -0.10 0.09 0.19 0.03 -1.06 0.00 0.00 177.43 176.58 1lkp h ARG 26 N -0.15 0.37 -0.31 0.81 3.08 -0.98 -1.37 114.38 115.84 1lkp h ARG 26 Ca -0.00 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 59.97 1lkp h ARG 26 Cb 0.14 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 1lkp h ARG 26 CO 0.01 0.24 -0.06 1.88 -1.07 0.00 0.00 179.97 180.97 1lkp h TYR 27 N 0.38 0.52 -0.37 3.04 0.05 -0.96 0.21 116.97 119.84 1lkp h TYR 27 Ca 0.25 -0.06 -0.12 0.00 0.05 0.00 0.00 58.73 58.84 1lkp h TYR 27 Cb 0.26 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 37.84 1lkp h TYR 27 CO -0.16 0.55 -0.27 -0.91 -1.05 0.00 0.00 178.16 176.33 1lkp h ASN 28 N 0.47 0.80 -0.38 3.88 -0.26 -0.65 0.12 115.58 119.56 1lkp h ASN 28 Ca 0.09 -0.31 -0.08 0.00 -0.56 0.00 0.00 56.30 55.45 1lkp h ASN 28 Cb 0.40 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 37.43 1lkp h ASN 28 CO 0.02 1.02 -0.07 1.88 -1.06 0.00 0.00 177.43 179.22 1lkp h TYR 29 N 0.67 0.80 -0.22 1.19 0.05 -0.63 -1.83 116.97 116.99 1lkp h TYR 29 Ca 0.08 -0.17 -0.04 0.00 0.05 0.00 0.00 58.73 58.66 1lkp h TYR 29 Cb 0.79 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 38.32 1lkp h TYR 29 CO 0.04 0.85 -0.05 0.74 -1.05 0.00 0.00 178.16 178.70 1lkp h PHE 30 N 0.52 0.34 -0.50 4.88 0.04 -0.82 -1.22 116.94 120.18 1lkp h PHE 30 Ca 0.10 -0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.80 1lkp h PHE 30 Cb 0.58 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.61 1lkp h PHE 30 CO 0.05 0.38 0.17 0.78 -0.60 0.00 0.00 178.31 179.09 1lkp h GLY 31 N 0.70 0.82 1.19 -1.45 0.00 -0.53 0.91 103.07 104.71 1lkp h GLY 31 Ca 0.07 -0.48 -0.05 0.00 0.00 0.00 0.00 47.33 46.87 1lkp h GLY 31 CO 0.01 0.45 0.19 -1.33 0.00 0.00 0.00 176.54 175.87 1lkp h GLY 32 N 0.67 1.09 1.35 4.60 0.00 -0.56 -2.06 103.07 108.16 1lkp h GLY 32 Ca 0.16 -0.63 -0.11 0.00 0.00 0.00 0.00 47.33 46.75 1lkp h GLY 32 CO -0.01 0.59 -0.19 -1.61 0.00 0.00 0.00 176.54 175.32 1lkp h GLN 33 N 0.98 0.76 -0.61 4.80 5.75 -0.84 -2.22 115.11 123.73 1lkp h GLN 33 Ca 0.21 -0.29 -0.04 0.00 -0.15 0.00 0.00 58.65 58.39 1lkp h GLN 33 Cb 0.29 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.77 1lkp h GLN 33 CO -0.01 0.89 0.23 0.00 -2.65 0.00 0.00 178.83 177.29 1lkp h ALA 34 N 1.11 1.26 -0.53 3.38 0.00 -0.40 0.13 119.26 124.21 1lkp h ALA 34 Ca 0.10 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1lkp h ALA 34 Cb 0.69 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1lkp h ALA 34 CO 0.05 0.54 0.07 -0.22 0.00 0.00 0.00 179.25 179.69 1lkp h LYS 35 N 0.87 0.88 -0.27 0.00 3.64 -1.04 -0.50 116.57 120.15 1lkp h LYS 35 Ca 0.20 -0.24 -0.06 0.00 -1.27 0.00 0.00 60.65 59.28 1lkp h LYS 35 Cb 0.19 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 1lkp h LYS 35 CO -0.02 0.87 -0.08 0.87 -2.27 0.00 0.00 179.45 178.83 1lkp h LYS 36 N 0.76 0.44 -0.01 1.90 1.57 -0.78 -2.05 116.57 118.40 1lkp h LYS 36 Ca 0.16 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1lkp h LYS 36 Cb 0.43 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1lkp h LYS 36 CO 0.01 0.53 0.00 -0.25 -0.57 0.00 0.00 179.45 179.17 1lkp n ASP 37 N -4.25 0.20 -0.19 0.86 8.00 -0.03 -4.91 116.55 116.23 1lkp n ASP 37 Ca 0.01 -1.25 -0.01 0.00 0.71 0.00 0.00 54.79 54.24 1lkp n ASP 37 Cb 0.28 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.37 1lkp n ASP 37 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1lkp n GLY 38 N 0.93 0.45 2.80 0.44 0.00 -0.77 -5.02 105.19 104.02 1lkp n GLY 38 Ca 0.19 -0.82 -0.28 0.00 0.00 0.00 0.00 46.02 45.11 1lkp n GLY 38 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1lkp s PHE 39 N -2.23 2.94 0.09 1.61 0.08 -0.24 -4.36 117.98 115.88 1lkp s PHE 39 Ca 0.00 -3.06 -0.18 0.00 0.12 0.00 0.00 56.93 53.81 1lkp s PHE 39 Cb -0.00 -2.34 -0.07 0.00 -0.57 0.00 0.00 43.02 40.04 1lkp s PHE 39 CO 0.01 -0.64 1.58 0.28 -0.10 0.00 0.00 175.22 176.34 1lkp h VAL 40 N 4.67 1.22 -0.51 -0.44 2.07 -1.59 0.10 116.25 121.77 1lkp h VAL 40 Ca 0.12 -0.75 0.03 0.00 0.82 0.00 0.00 66.70 66.92 1lkp h VAL 40 Cb 0.82 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 31.76 1lkp h VAL 40 CO 0.63 0.24 0.30 -0.61 0.02 0.00 0.00 177.57 178.15 1lkp h GLN 41 N 0.25 0.57 -0.60 1.57 4.15 -1.85 -0.06 115.11 119.15 1lkp h GLN 41 Ca 0.08 -0.03 -0.06 0.00 0.77 0.00 0.00 58.65 59.41 1lkp h GLN 41 Cb 0.31 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.85 1lkp h GLN 41 CO 0.00 0.38 0.13 0.82 -1.93 0.00 0.00 178.83 178.23 1lkp h ILE 42 N 0.58 1.24 -0.41 2.39 2.04 -1.92 -0.91 117.51 120.53 1lkp h ILE 42 Ca 0.21 -0.90 -0.01 0.00 1.00 0.00 0.00 64.86 65.16 1lkp h ILE 42 Cb 0.05 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 1lkp h ILE 42 CO -0.11 0.34 0.22 -1.28 0.00 0.00 0.00 178.15 177.32 1lkp h SER 43 N 0.89 0.51 0.36 1.72 0.87 -0.14 -1.02 113.55 116.75 1lkp h SER 43 Ca 0.19 -0.09 -0.08 0.00 -1.23 0.00 0.00 61.79 60.58 1lkp h SER 43 Cb 0.35 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.17 1lkp h SER 43 CO 0.00 0.45 -0.37 0.44 -0.53 0.00 0.00 176.83 176.83 1lkp h ASP 44 N 0.52 0.01 -0.41 6.23 3.32 -0.70 -1.92 116.42 123.48 1lkp h ASP 44 Ca 0.14 -0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.08 1lkp h ASP 44 Cb 0.06 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 1lkp h ASP 44 CO -0.02 0.39 -0.15 0.40 -1.72 0.00 0.00 179.24 178.14 1lkp h ILE 45 N 0.01 1.28 -0.58 0.35 1.08 -0.63 0.10 117.51 119.12 1lkp h ILE 45 Ca -0.00 -1.27 -0.02 0.00 -0.39 0.00 0.00 64.86 63.18 1lkp h ILE 45 Cb 0.66 1.24 -0.03 0.00 -3.07 0.00 0.00 36.82 35.62 1lkp h ILE 45 CO 0.05 0.43 0.29 -0.26 -0.69 0.00 0.00 178.15 177.97 1lkp h PHE 46 N 0.64 0.82 -0.52 1.37 0.04 -0.87 0.52 116.94 118.94 1lkp h PHE 46 Ca 0.10 -0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.80 1lkp h PHE 46 Cb 0.69 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 38.56 1lkp h PHE 46 CO 0.05 0.62 0.20 0.00 -0.60 0.00 0.00 178.31 178.59 1lkp h ALA 47 N 1.12 0.67 -0.55 2.45 0.00 -1.17 -0.40 119.26 121.38 1lkp h ALA 47 Ca 0.20 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1lkp h ALA 47 Cb 0.09 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1lkp h ALA 47 CO -0.03 0.29 0.08 1.49 0.00 0.00 0.00 179.25 181.08 1lkp h GLU 48 N 0.70 0.91 -0.87 0.00 4.81 -0.69 -1.60 114.58 117.83 1lkp h GLU 48 Ca 0.17 -0.25 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 1lkp h GLU 48 Cb 0.20 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.44 1lkp h GLU 48 CO -0.01 0.88 0.50 1.15 -0.73 0.00 0.00 179.01 180.79 1lkp h THR 49 N 0.79 1.25 -0.51 0.32 2.02 -0.64 -0.98 112.91 115.17 1lkp h THR 49 Ca 0.17 -0.59 0.01 0.00 0.77 0.00 0.00 66.41 66.77 1lkp h THR 49 Cb 0.41 0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 66.85 1lkp h THR 49 CO 0.01 0.27 0.32 0.00 0.37 0.00 0.00 175.52 176.50 1lkp h ALA 50 N 1.27 0.65 -0.37 6.16 0.00 -0.69 -0.26 119.26 126.02 1lkp h ALA 50 Ca 0.31 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 1lkp h ALA 50 Cb -0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1lkp h ALA 50 CO -0.05 0.05 0.12 -0.44 0.00 0.00 0.00 179.25 178.93 1lkp h ASP 51 N 0.65 0.49 0.41 0.00 3.32 -0.62 -1.26 116.42 119.41 1lkp h ASP 51 Ca 0.19 -0.06 -0.17 0.00 0.02 0.00 0.00 57.03 57.01 1lkp h ASP 51 Cb -0.04 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 1lkp h ASP 51 CO -0.06 0.48 -0.73 1.56 -1.72 0.00 0.00 179.24 178.77 1lkp h GLN 52 N 0.53 0.27 -0.13 3.56 4.20 -0.31 -2.58 115.11 120.65 1lkp h GLN 52 Ca 0.13 -0.23 -0.08 0.00 0.06 0.00 0.00 58.65 58.53 1lkp h GLN 52 Cb 0.17 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 1lkp h GLN 52 CO -0.01 0.88 -0.29 0.93 -0.67 0.00 0.00 178.83 179.68 1lkp h GLU 53 N 0.18 0.25 -0.62 1.46 4.39 -0.45 -1.02 114.58 118.77 1lkp h GLU 53 Ca -0.03 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.58 1lkp h GLU 53 Cb 1.29 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.89 1lkp h GLU 53 CO 0.12 0.52 0.36 -0.09 -1.16 0.00 0.00 179.01 178.76 1lkp h ARG 54 N 0.22 0.85 0.02 2.33 2.43 -0.88 -0.74 114.38 118.61 1lkp h ARG 54 Ca 0.03 -0.08 -0.21 0.00 -0.81 0.00 0.00 59.98 58.91 1lkp h ARG 54 Cb 0.63 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 1lkp h ARG 54 CO 0.05 0.61 -0.94 0.93 -1.51 0.00 0.00 179.97 179.10 1lkp h GLU 55 N 0.86 0.25 -0.33 0.20 4.39 -0.92 -1.46 114.58 117.56 1lkp h GLU 55 Ca 0.22 -0.29 -0.03 0.00 0.34 0.00 0.00 59.36 59.60 1lkp h GLU 55 Cb -0.01 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 1lkp h GLU 55 CO -0.04 1.02 0.08 0.45 -1.16 0.00 0.00 179.01 179.36 1lkp h HIS 56 N 0.13 0.56 -0.90 4.33 3.86 -0.76 -2.24 115.15 120.13 1lkp h HIS 56 Ca -0.06 -0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.08 1lkp h HIS 56 Cb 1.59 -0.16 -0.04 0.00 1.06 0.00 0.00 27.41 29.86 1lkp h HIS 56 CO 0.04 0.58 0.57 0.00 0.86 0.00 0.00 177.93 179.98 1lkp h ALA 57 N 0.91 1.14 -0.54 2.45 0.00 -1.11 -2.03 119.26 120.08 1lkp h ALA 57 Ca 0.10 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1lkp h ALA 57 Cb 0.30 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1lkp h ALA 57 CO 0.00 0.58 0.22 -0.22 0.00 0.00 0.00 179.25 179.82 1lkp h LYS 58 N 1.23 0.81 -0.49 0.00 3.64 -1.06 0.24 116.57 120.94 1lkp h LYS 58 Ca 0.33 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1lkp h LYS 58 Cb -0.09 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.57 1lkp h LYS 58 CO -0.07 0.71 0.29 -0.09 -2.27 0.00 0.00 179.45 178.02 1lkp h ARG 59 N 0.73 0.67 -0.28 1.90 9.65 -1.12 -1.57 114.38 124.36 1lkp h ARG 59 Ca 0.18 -0.06 -0.04 0.00 -1.10 0.00 0.00 59.98 58.96 1lkp h ARG 59 Cb 0.20 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 28.63 1lkp h ARG 59 CO -0.01 0.49 0.04 -0.07 2.80 0.00 0.00 179.97 183.21 1lkp h LEU 60 N 0.65 0.45 -0.90 3.80 3.38 -1.08 -3.06 115.31 118.55 1lkp h LEU 60 Ca 0.17 -0.27 0.08 0.00 0.09 0.00 0.00 57.88 57.96 1lkp h LEU 60 Cb 0.00 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 40.56 1lkp h LEU 60 CO -0.03 0.61 0.55 0.15 0.09 0.00 0.00 178.44 179.81 1lkp h PHE 61 N 0.28 1.02 0.00 1.13 3.57 -0.29 -1.95 116.94 120.69 1lkp h PHE 61 Ca 0.08 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.61 1lkp h PHE 61 Cb 0.35 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.77 1lkp h PHE 61 CO 0.02 0.47 0.00 0.87 -2.23 0.00 0.00 178.31 177.45 1lkp h LYS 62 N 0.96 0.00 0.00 1.11 1.57 -1.18 -2.46 116.57 116.57 1lkp h LYS 62 Ca 0.41 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 59.04 1lkp h LYS 62 Cb 0.28 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 1lkp h LYS 62 CO -0.21 0.00 -0.71 0.74 -0.57 0.00 0.00 179.45 178.70 1lkp h PHE 63 N 0.00 0.00 -4.12 -1.35 0.04 -1.38 -3.46 116.94 106.67 1lkp h PHE 63 Ca 0.00 0.00 -0.54 0.00 2.80 0.00 0.00 57.97 60.23 1lkp h PHE 63 Cb 0.23 0.00 0.14 0.00 2.20 0.00 0.00 35.95 38.52 1lkp h PHE 63 CO 0.00 0.71 0.47 -0.51 -0.60 0.00 0.00 178.31 178.39 1lkp s LEU 64 N -6.61 3.56 -0.03 1.54 1.43 -0.93 -4.97 118.68 112.68 1lkp s LEU 64 Ca 0.02 2.47 0.14 0.00 -1.03 0.00 0.00 54.13 55.73 1lkp s LEU 64 Cb 0.09 -4.60 0.42 0.00 0.03 0.00 0.00 46.19 42.12 1lkp s LEU 64 CO 0.78 -1.87 1.35 -0.62 0.23 0.00 0.00 176.35 176.21 1lkp n GLU 65 N -1.92 2.92 0.00 1.70 1.02 -1.26 -5.09 120.64 118.01 1lkp n GLU 65 Ca 0.14 -2.30 0.00 0.00 -0.02 0.00 0.00 57.16 54.99 1lkp n GLU 65 Cb 0.49 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.49 1lkp n GLU 65 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1lkp n GLY 66 N 0.66 1.99 0.00 0.62 0.00 -1.26 -5.14 105.19 102.06 1lkp n GLY 66 Ca 0.16 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.25 1lkp n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lkp n GLY 67 N 1.97 0.85 3.76 -0.02 0.00 -1.26 -4.97 105.19 105.53 1lkp n GLY 67 Ca 0.00 -1.81 -0.38 0.00 0.00 0.00 0.00 46.02 43.83 1lkp n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1lkp s ASP 68 N -1.09 6.70 -0.03 1.61 1.11 -1.26 -5.08 116.67 118.63 1lkp s ASP 68 Ca 0.00 0.83 0.04 0.00 0.18 0.00 0.00 52.55 53.59 1lkp s ASP 68 Cb 0.00 -2.27 -0.00 0.00 1.07 0.00 0.00 42.92 41.72 1lkp s ASP 68 CO 0.00 0.11 -0.14 -0.22 1.18 0.00 0.00 175.17 176.10 1lkp s LEU 69 N 0.09 1.89 0.01 1.23 2.96 -1.26 -5.13 118.68 118.47 1lkp s LEU 69 Ca 0.24 -0.28 -0.20 0.00 -0.22 0.00 0.00 54.13 53.67 1lkp s LEU 69 Cb -0.15 -0.80 -0.06 0.00 0.50 0.00 0.00 46.19 45.68 1lkp s LEU 69 CO 0.10 0.13 0.57 -0.70 -1.32 0.00 0.00 176.35 175.13 1lkp s GLU 70 N 0.04 4.27 0.11 1.98 2.12 -1.26 -5.08 118.70 120.88 1lkp s GLU 70 Ca -0.02 0.70 0.05 0.00 0.36 0.00 0.00 54.97 56.06 1lkp s GLU 70 Cb -0.10 -3.32 -0.04 0.00 0.26 0.00 0.00 34.13 30.94 1lkp s GLU 70 CO 0.01 0.44 -0.13 0.96 -0.54 0.00 0.00 175.26 176.01 1lkp s ILE 71 N -0.41 1.19 -0.20 -3.70 -4.36 -1.26 -5.04 121.20 107.42 1lkp s ILE 71 Ca 0.30 -1.70 0.01 0.00 -0.26 0.00 0.00 60.65 58.99 1lkp s ILE 71 Cb -0.18 -1.48 0.04 0.00 1.25 0.00 0.00 42.46 42.09 1lkp s ILE 71 CO 0.17 -0.48 -0.09 -0.69 0.24 0.00 0.00 174.94 174.09 1lkp s VAL 72 N -2.29 1.53 0.12 8.37 1.01 -1.26 -5.11 120.40 122.77 1lkp s VAL 72 Ca 0.08 -0.96 -0.20 0.00 0.00 0.00 0.00 61.98 60.90 1lkp s VAL 72 Cb -0.04 -1.64 0.05 0.00 0.00 0.00 0.00 36.38 34.75 1lkp s VAL 72 CO 0.02 0.13 0.51 0.00 0.00 0.00 0.00 175.10 175.76 1lkp s ALA 73 N 1.44 -1.28 -0.03 5.51 0.00 -1.26 -5.12 121.76 121.02 1lkp s ALA 73 Ca -0.01 0.32 -0.02 0.00 0.00 0.00 0.00 51.96 52.24 1lkp s ALA 73 Cb -0.16 0.68 -0.04 0.00 0.00 0.00 0.00 23.12 23.60 1lkp s ALA 73 CO -0.08 -0.65 0.10 0.00 0.00 0.00 0.00 175.76 175.13 1lkp s ALA 74 N -3.43 3.67 0.05 0.00 0.00 -1.26 -5.12 121.76 115.67 1lkp s ALA 74 Ca 0.00 -0.81 -0.00 0.00 0.00 0.00 0.00 51.96 51.15 1lkp s ALA 74 Cb 0.00 -1.69 -0.04 0.00 0.00 0.00 0.00 23.12 21.40 1lkp s ALA 74 CO -0.10 0.68 -0.04 -0.06 0.00 0.00 0.00 175.76 176.24 1lkp s PHE 75 N -1.16 0.53 -0.18 0.00 0.08 -1.26 -5.09 117.98 110.90 1lkp s PHE 75 Ca 0.21 -0.92 -0.29 0.00 0.12 0.00 0.00 56.93 56.06 1lkp s PHE 75 Cb -0.12 -0.37 -0.04 0.00 -0.57 0.00 0.00 43.02 41.92 1lkp s PHE 75 CO 0.12 -0.29 1.74 -2.14 -0.10 0.00 0.00 175.22 174.54 1lkp s PRO 76 N -3.32 3.77 -1.20 0.24 0.02 -1.26 -4.90 135.00 128.34 1lkp s PRO 76 Ca 0.03 1.84 -0.16 0.00 0.02 0.00 0.00 61.00 62.73 1lkp s PRO 76 Cb 0.03 -4.09 0.14 0.00 0.02 0.00 0.00 34.50 30.60 1lkp s PRO 76 CO -0.07 -1.34 1.49 0.00 -0.33 0.00 0.00 177.00 176.75 1lkp s ALA 77 N 5.47 3.73 0.00 -1.55 0.00 -1.26 -4.83 121.76 123.32 1lkp s ALA 77 Ca 0.77 -3.16 0.00 0.00 0.00 0.00 0.00 51.96 49.57 1lkp s ALA 77 Cb -0.28 -4.27 0.00 0.00 0.00 0.00 0.00 23.12 18.57 1lkp s ALA 77 CO 0.31 -2.96 0.00 0.41 0.00 0.00 0.00 175.76 173.53 1lkp n GLY 78 N 4.66 -3.64 3.24 0.00 0.00 -1.26 -5.07 105.19 103.11 1lkp n GLY 78 Ca 0.39 -1.98 -0.15 0.00 0.00 0.00 0.00 46.02 44.28 1lkp n GLY 78 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1lkp s ILE 79 N -0.87 0.03 -0.25 -0.61 -4.36 -1.26 -5.15 121.20 108.72 1lkp s ILE 79 Ca 0.00 -2.00 -0.07 0.00 -0.26 0.00 0.00 60.65 58.32 1lkp s ILE 79 Cb 0.00 -2.50 -0.03 0.00 1.25 0.00 0.00 42.46 41.18 1lkp s ILE 79 CO 0.00 0.00 0.07 -0.63 0.24 0.00 0.00 174.94 174.62 1lkp s ILE 80 N -3.84 4.25 0.00 8.37 1.01 -1.26 -4.99 121.20 124.74 1lkp s ILE 80 Ca 0.39 -0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.84 1lkp s ILE 80 Cb 0.05 -2.99 0.00 0.00 0.01 0.00 0.00 42.46 39.53 1lkp s ILE 80 CO 0.18 0.33 0.00 0.00 0.00 0.00 0.00 174.94 175.46 1lkp n ALA 81 N 4.92 0.00 -1.16 9.38 0.00 -1.26 -5.12 120.51 127.28 1lkp n ALA 81 Ca -0.16 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 52.97 1lkp n ALA 81 Cb 0.51 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.08 1lkp n ALA 81 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1lkp s ASP 82 N 1.00 4.02 0.23 0.00 -4.77 -1.26 -4.74 116.67 111.15 1lkp s ASP 82 Ca 0.00 1.81 -0.07 0.00 -3.30 0.00 0.00 52.55 50.98 1lkp s ASP 82 Cb 0.00 -2.46 0.26 0.00 -1.09 0.00 0.00 42.92 39.64 1lkp s ASP 82 CO 0.00 -2.34 1.86 0.74 0.70 0.00 0.00 175.17 176.13 1lkp h THR 83 N -1.34 1.10 -0.27 2.11 2.02 -1.94 -0.47 112.91 114.12 1lkp h THR 83 Ca -0.45 -0.34 0.02 0.00 0.77 0.00 0.00 66.41 66.40 1lkp h THR 83 Cb 1.25 0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 1lkp h THR 83 CO 0.51 0.18 0.14 -0.74 0.37 0.00 0.00 175.52 175.98 1lkp h HIS 84 N 1.00 0.26 -0.89 3.16 -0.00 -1.95 -0.03 115.15 116.69 1lkp h HIS 84 Ca 0.34 0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.70 1lkp h HIS 84 Cb 0.05 -0.08 -0.04 0.00 -0.00 0.00 0.00 27.41 27.34 1lkp h HIS 84 CO -0.03 0.15 0.48 0.00 -0.00 0.00 0.00 177.93 178.53 1lkp h ALA 85 N 1.13 1.17 -0.45 5.26 0.00 -1.81 -1.54 119.26 123.03 1lkp h ALA 85 Ca 0.11 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1lkp h ALA 85 Cb 0.02 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1lkp h ALA 85 CO -0.07 0.66 -0.06 -0.91 0.00 0.00 0.00 179.25 178.87 1lkp h ASN 86 N 1.24 0.74 -0.51 0.00 2.35 -0.60 -0.60 115.58 118.21 1lkp h ASN 86 Ca 0.31 -0.20 -0.08 0.00 -0.55 0.00 0.00 56.30 55.79 1lkp h ASN 86 Cb 0.04 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.19 1lkp h ASN 86 CO -0.05 0.85 0.02 -0.07 -1.65 0.00 0.00 177.43 176.52 1lkp h LEU 87 N 0.71 0.86 -0.46 1.61 3.38 -0.56 -0.30 115.31 120.55 1lkp h LEU 87 Ca 0.13 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 1lkp h LEU 87 Cb 0.51 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1lkp h LEU 87 CO 0.03 0.95 0.14 0.40 0.09 0.00 0.00 178.44 180.04 1lkp h ILE 88 N 0.75 1.23 -0.54 1.22 1.08 -0.96 -0.69 117.51 119.60 1lkp h ILE 88 Ca 0.15 -0.76 -0.07 0.00 -0.39 0.00 0.00 64.86 63.79 1lkp h ILE 88 Cb 0.50 0.85 -0.02 0.00 -3.07 0.00 0.00 36.82 35.08 1lkp h ILE 88 CO 0.02 0.27 0.07 0.00 -0.69 0.00 0.00 178.15 177.83 1lkp h ALA 89 N 0.99 0.71 -0.51 1.87 0.00 -0.98 -1.85 119.26 119.50 1lkp h ALA 89 Ca 0.15 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1lkp h ALA 89 Cb 0.28 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1lkp h ALA 89 CO -0.00 0.47 0.21 0.77 0.00 0.00 0.00 179.25 180.69 1lkp h SER 90 N 0.78 0.70 -0.79 0.00 0.02 -0.91 -1.72 113.55 111.63 1lkp h SER 90 Ca 0.16 -0.17 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1lkp h SER 90 Cb 0.43 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.75 1lkp h SER 90 CO 0.01 0.67 0.49 0.00 -1.14 0.00 0.00 176.83 176.87 1lkp h ALA 91 N 1.05 1.36 -0.41 3.77 0.00 -0.94 -0.48 119.26 123.61 1lkp h ALA 91 Ca 0.17 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1lkp h ALA 91 Cb 0.19 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1lkp h ALA 91 CO -0.01 0.56 -0.07 0.00 0.00 0.00 0.00 179.25 179.72 1lkp h ALA 92 N 1.44 1.10 -0.26 0.00 0.00 -0.88 0.42 119.26 121.09 1lkp h ALA 92 Ca 0.29 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1lkp h ALA 92 Cb -0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1lkp h ALA 92 CO -0.06 0.56 -0.03 0.78 0.00 0.00 0.00 179.25 180.51 1lkp h GLY 93 N 0.96 0.51 0.97 0.00 0.00 -0.42 -1.95 103.07 103.14 1lkp h GLY 93 Ca 0.12 -0.40 0.01 0.00 0.00 0.00 0.00 47.33 47.06 1lkp h GLY 93 CO 0.03 0.37 0.29 0.83 0.00 0.00 0.00 176.54 178.06 1lkp h GLU 94 N 0.24 0.58 -0.51 4.80 4.39 -0.87 -2.38 114.58 120.83 1lkp h GLU 94 Ca 0.07 -0.03 0.07 0.00 0.34 0.00 0.00 59.36 59.81 1lkp h GLU 94 Cb 0.47 -0.13 -0.06 0.00 -0.10 0.00 0.00 28.75 28.93 1lkp h GLU 94 CO 0.02 0.38 0.18 1.25 -1.16 0.00 0.00 179.01 179.68 1lkp h HIS 95 N 0.60 0.31 -0.76 4.33 2.76 -0.71 -1.17 115.15 120.50 1lkp h HIS 95 Ca 0.17 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.33 1lkp h HIS 95 Cb -0.05 -0.06 -0.03 0.00 1.55 0.00 0.00 27.41 28.82 1lkp h HIS 95 CO -0.05 0.09 0.34 1.25 -1.30 0.00 0.00 177.93 178.27 1lkp h HIS 96 N 0.35 1.12 -0.20 5.26 -0.00 -1.13 -0.97 115.15 119.58 1lkp h HIS 96 Ca 0.25 -0.07 -0.01 0.00 -0.00 0.00 0.00 60.37 60.54 1lkp h HIS 96 Cb 0.27 -0.34 -0.01 0.00 -0.00 0.00 0.00 27.41 27.33 1lkp h HIS 96 CO -0.17 0.83 0.10 0.93 -0.00 0.00 0.00 177.93 179.63 1lkp h GLU 97 N 1.08 0.28 0.00 5.26 5.08 -0.80 -0.06 114.58 125.42 1lkp h GLU 97 Ca 0.26 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1lkp h GLU 97 Cb 0.15 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1lkp h GLU 97 CO -0.03 0.29 -0.56 0.10 -1.00 0.00 0.00 179.01 177.81 1lkp h TYR 98 N 0.20 0.00 0.03 4.33 -0.00 -1.19 0.12 116.97 120.46 1lkp h TYR 98 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 58.73 58.44 1lkp h TYR 98 Cb 0.09 0.00 -0.06 0.00 0.00 0.00 0.00 36.73 36.77 1lkp h TYR 98 CO -0.03 0.00 -2.22 0.25 -0.00 0.00 0.00 178.16 176.16 1lkp n THR 99 N -2.78 1.54 -0.00 -0.90 -2.24 -0.37 -4.53 114.28 105.00 1lkp n THR 99 Ca 0.02 -0.71 -0.02 0.00 -2.27 0.00 0.00 64.05 61.07 1lkp n THR 99 Cb 0.53 -1.14 -0.01 0.00 -2.10 0.00 0.00 70.33 67.61 1lkp n THR 99 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1lkp n GLU 100 N -3.12 0.10 0.39 -0.78 -0.58 -0.14 -4.73 120.64 111.79 1lkp n GLU 100 Ca -0.34 0.04 -0.18 0.00 -0.42 0.00 0.00 57.16 56.26 1lkp n GLU 100 Cb 1.06 -0.53 -0.09 0.00 -0.57 0.00 0.00 31.44 31.31 1lkp n GLU 100 CO 0.00 0.00 0.00 1.98 -0.48 0.00 0.00 177.13 178.63 1lkp h MET 101 N -0.19 -1.05 -0.69 3.49 4.05 -1.35 -2.36 114.93 116.83 1lkp h MET 101 Ca 0.00 0.07 -0.06 0.00 -0.28 0.00 0.00 59.70 59.43 1lkp h MET 101 Cb 0.19 0.24 -0.03 0.00 -0.80 0.00 0.00 31.60 31.20 1lkp h MET 101 CO 0.00 -0.70 0.20 1.88 0.23 0.00 0.00 176.91 178.53 1lkp h TYR 102 N -1.09 1.11 -0.53 1.39 0.05 -1.21 0.81 116.97 117.50 1lkp h TYR 102 Ca -0.10 -0.11 -0.06 0.00 0.05 0.00 0.00 58.73 58.52 1lkp h TYR 102 Cb 0.87 -0.32 -0.02 0.00 1.01 0.00 0.00 36.73 38.26 1lkp h TYR 102 CO -0.07 0.89 0.10 -1.35 -1.05 0.00 0.00 178.16 176.68 1lkp h PRO 103 N 1.03 0.83 -0.25 4.88 0.11 -1.75 0.83 132.00 137.67 1lkp h PRO 103 Ca 0.22 -0.18 -0.06 0.00 0.11 0.00 0.00 66.00 66.09 1lkp h PRO 103 Cb 0.31 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.29 1lkp h PRO 103 CO -0.01 0.77 -0.07 0.77 -0.21 0.00 0.00 178.00 179.25 1lkp h SER 104 N 0.80 0.50 -0.73 -2.05 0.02 -1.02 -1.28 113.55 109.79 1lkp h SER 104 Ca 0.17 -0.37 -0.03 0.00 -0.84 0.00 0.00 61.79 60.72 1lkp h SER 104 Cb 0.34 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 1lkp h SER 104 CO 0.00 0.76 0.35 -0.26 -1.14 0.00 0.00 176.83 176.55 1lkp h PHE 105 N 0.24 1.07 -0.34 3.45 0.04 -0.59 -1.54 116.94 119.27 1lkp h PHE 105 Ca 0.06 -0.05 -0.03 0.00 2.80 0.00 0.00 57.97 60.75 1lkp h PHE 105 Cb 0.55 -0.33 -0.01 0.00 2.20 0.00 0.00 35.95 38.35 1lkp h PHE 105 CO 0.05 0.78 0.08 0.00 -0.60 0.00 0.00 178.31 178.62 1lkp h ALA 106 N 1.32 0.44 -0.68 2.45 0.00 -0.68 -0.47 119.26 121.65 1lkp h ALA 106 Ca 0.26 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1lkp h ALA 106 Cb 0.11 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1lkp h ALA 106 CO -0.03 0.11 0.33 -0.09 0.00 0.00 0.00 179.25 179.57 1lkp h ARG 107 N 0.39 0.97 -0.60 0.00 2.43 -0.98 -0.17 114.38 116.42 1lkp h ARG 107 Ca 0.11 -0.14 -0.09 0.00 -0.81 0.00 0.00 59.98 59.04 1lkp h ARG 107 Cb 0.30 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 1lkp h ARG 107 CO 0.00 0.77 0.01 0.82 -1.51 0.00 0.00 179.97 180.07 1lkp h ILE 108 N 0.94 1.26 -0.42 1.20 2.04 -1.15 -0.97 117.51 120.41 1lkp h ILE 108 Ca 0.23 -1.13 -0.02 0.00 1.00 0.00 0.00 64.86 64.94 1lkp h ILE 108 Cb 0.12 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 1lkp h ILE 108 CO -0.03 0.41 0.18 0.00 0.00 0.00 0.00 178.15 178.71 1lkp h ALA 109 N 1.04 0.55 -0.71 1.87 0.00 -0.61 -0.96 119.26 120.44 1lkp h ALA 109 Ca 0.17 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1lkp h ALA 109 Cb 0.53 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1lkp h ALA 109 CO 0.03 0.14 0.42 0.00 0.00 0.00 0.00 179.25 179.83 1lkp h ARG 110 N 0.54 0.97 -0.06 0.00 3.08 -0.81 0.12 114.38 118.22 1lkp h ARG 110 Ca 0.14 -0.09 -0.05 0.00 0.07 0.00 0.00 59.98 60.05 1lkp h ARG 110 Cb 0.17 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 1lkp h ARG 110 CO -0.01 0.70 -0.21 0.93 -1.07 0.00 0.00 179.97 180.30 1lkp h GLU 111 N 0.97 0.09 -0.01 0.04 5.08 -0.79 -2.24 114.58 117.72 1lkp h GLU 111 Ca 0.25 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1lkp h GLU 111 Cb -0.01 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1lkp h GLU 111 CO -0.05 0.30 -0.05 0.39 -1.00 0.00 0.00 179.01 178.61 1lkp n GLU 112 N -4.25 1.46 -0.56 2.33 1.02 -0.40 -4.94 120.64 115.30 1lkp n GLU 112 Ca -0.02 -0.82 0.00 0.00 -0.02 0.00 0.00 57.16 56.30 1lkp n GLU 112 Cb 0.29 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.23 1lkp n GLU 112 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1lkp n GLY 113 N 1.20 0.72 2.94 0.62 0.00 -0.74 -5.02 105.19 104.91 1lkp n GLY 113 Ca 0.18 -0.56 -0.37 0.00 0.00 0.00 0.00 46.02 45.26 1lkp n GLY 113 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1lkp n TYR 114 N -2.52 3.49 -0.23 1.61 4.01 0.34 -4.86 117.16 119.00 1lkp n TYR 114 Ca 0.00 -3.55 -0.06 0.00 -0.16 0.00 0.00 57.90 54.13 1lkp n TYR 114 Cb 0.02 -1.11 0.04 0.00 -0.31 0.00 0.00 39.34 37.99 1lkp n TYR 114 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 1lkp h GLU 115 N 5.43 0.86 -0.05 -0.72 4.39 -1.89 -1.26 114.58 121.34 1lkp h GLU 115 Ca 0.19 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.83 1lkp h GLU 115 Cb 0.71 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 29.17 1lkp h GLU 115 CO 1.05 0.58 0.03 1.49 -1.16 0.00 0.00 179.01 180.99 1lkp h GLU 116 N 0.87 0.07 -0.73 2.33 4.81 -1.97 -1.24 114.58 118.73 1lkp h GLU 116 Ca 0.23 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 1lkp h GLU 116 Cb -0.08 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.25 1lkp h GLU 116 CO -0.05 0.15 0.46 0.82 -0.73 0.00 0.00 179.01 179.67 1lkp h ILE 117 N -0.02 1.20 -0.87 2.32 2.04 -1.95 -1.28 117.51 118.94 1lkp h ILE 117 Ca 0.02 -0.40 0.01 0.00 1.00 0.00 0.00 64.86 65.49 1lkp h ILE 117 Cb 0.10 0.15 -0.04 0.00 -0.74 0.00 0.00 36.82 36.29 1lkp h ILE 117 CO -0.00 0.20 0.58 0.00 0.00 0.00 0.00 178.15 178.92 1lkp h ALA 118 N 1.25 1.11 -0.65 1.87 0.00 -1.03 -0.30 119.26 121.52 1lkp h ALA 118 Ca 0.26 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1lkp h ALA 118 Cb -0.07 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.34 1lkp h ALA 118 CO -0.05 0.49 0.26 -0.09 0.00 0.00 0.00 179.25 179.86 1lkp h ARG 119 N 1.17 0.95 -0.33 0.00 2.43 -0.52 -1.30 114.38 116.77 1lkp h ARG 119 Ca 0.32 -0.15 -0.07 0.00 -0.81 0.00 0.00 59.98 59.27 1lkp h ARG 119 Cb -0.11 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.26 1lkp h ARG 119 CO -0.08 0.77 -0.08 0.28 -1.51 0.00 0.00 179.97 179.36 1lkp h VAL 120 N 0.93 1.28 -0.30 0.20 2.07 -0.28 -0.41 116.25 119.74 1lkp h VAL 120 Ca 0.22 -1.12 0.01 0.00 0.82 0.00 0.00 66.70 66.63 1lkp h VAL 120 Cb 0.18 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1lkp h VAL 120 CO -0.02 0.37 0.17 -0.26 0.02 0.00 0.00 177.57 177.85 1lkp h PHE 121 N 0.41 0.32 -0.69 1.57 0.04 -0.70 0.73 116.94 118.62 1lkp h PHE 121 Ca 0.08 0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.84 1lkp h PHE 121 Cb 0.57 -0.10 -0.03 0.00 2.20 0.00 0.00 35.95 38.59 1lkp h PHE 121 CO 0.05 0.19 0.32 0.00 -0.60 0.00 0.00 178.31 178.27 1lkp h ALA 122 N 1.14 1.26 -0.39 2.45 0.00 -1.15 -1.75 119.26 120.81 1lkp h ALA 122 Ca 0.12 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 1lkp h ALA 122 Cb 0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1lkp h ALA 122 CO -0.06 0.56 -0.34 0.77 0.00 0.00 0.00 179.25 180.19 1lkp h SER 123 N 0.99 0.97 -0.48 0.00 0.02 -0.54 -2.83 113.55 111.68 1lkp h SER 123 Ca 0.24 -0.45 -0.04 0.00 -0.84 0.00 0.00 61.79 60.70 1lkp h SER 123 Cb 0.12 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.36 1lkp h SER 123 CO -0.03 1.22 0.16 0.40 -1.14 0.00 0.00 176.83 177.44 1lkp h ILE 124 N 0.73 1.21 -0.68 3.27 2.04 -0.58 -1.94 117.51 121.56 1lkp h ILE 124 Ca 0.07 -0.73 0.05 0.00 1.00 0.00 0.00 64.86 65.25 1lkp h ILE 124 Cb 0.93 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 37.60 1lkp h ILE 124 CO 0.09 0.28 0.45 0.00 0.00 0.00 0.00 178.15 178.96 1lkp h ALA 125 N 1.41 1.67 -0.66 1.87 0.00 -1.09 -0.90 119.26 121.57 1lkp h ALA 125 Ca 0.18 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1lkp h ALA 125 Cb 0.23 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1lkp h ALA 125 CO -0.01 0.24 0.21 0.28 0.00 0.00 0.00 179.25 179.97 1lkp h VAL 126 N 0.77 1.25 -0.45 0.00 2.07 -1.17 -1.68 116.25 117.03 1lkp h VAL 126 Ca 0.28 -0.85 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 1lkp h VAL 126 Cb 0.16 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 1lkp h VAL 126 CO -0.09 0.33 0.20 0.00 0.02 0.00 0.00 177.57 178.04 1lkp h ALA 127 N 1.08 0.58 -0.12 1.67 0.00 -1.07 -2.59 119.26 118.82 1lkp h ALA 127 Ca 0.21 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1lkp h ALA 127 Cb 0.29 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1lkp h ALA 127 CO -0.01 0.16 -0.09 0.93 0.00 0.00 0.00 179.25 180.25 1lkp h GLU 128 N 0.58 0.18 -0.43 0.00 4.39 -0.98 -1.23 114.58 117.09 1lkp h GLU 128 Ca 0.15 -0.03 -0.11 0.00 0.34 0.00 0.00 59.36 59.71 1lkp h GLU 128 Cb 0.15 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 1lkp h GLU 128 CO -0.02 0.28 -0.17 1.49 -1.16 0.00 0.00 179.01 179.44 1lkp h GLU 129 N 0.17 0.82 -0.05 2.33 4.81 -0.92 -0.84 114.58 120.90 1lkp h GLU 129 Ca 0.04 -0.31 -0.18 0.00 -0.13 0.00 0.00 59.36 58.78 1lkp h GLU 129 Cb 0.27 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 1lkp h GLU 129 CO 0.01 0.93 -0.76 0.35 -0.73 0.00 0.00 179.01 178.82 1lkp h PHE 130 N 0.73 0.43 -0.45 0.92 3.57 -1.27 -1.87 116.94 118.99 1lkp h PHE 130 Ca 0.11 -0.20 0.05 0.00 3.53 0.00 0.00 57.97 61.46 1lkp h PHE 130 Cb 0.68 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.31 1lkp h PHE 130 CO 0.04 0.95 0.20 0.45 -2.23 0.00 0.00 178.31 177.72 1lkp h HIS 131 N 0.20 0.36 -0.72 0.41 3.86 -0.90 -0.98 115.15 117.38 1lkp h HIS 131 Ca -0.03 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.19 1lkp h HIS 131 Cb 1.34 -0.09 -0.03 0.00 1.06 0.00 0.00 27.41 29.68 1lkp h HIS 131 CO 0.04 0.16 0.43 1.49 0.86 0.00 0.00 177.93 180.90 1lkp h GLU 132 N 0.40 0.98 -0.38 2.45 4.81 -0.96 -1.81 114.58 120.06 1lkp h GLU 132 Ca 0.21 -0.09 0.04 0.00 -0.13 0.00 0.00 59.36 59.38 1lkp h GLU 132 Cb 0.16 -0.20 -0.04 0.00 0.63 0.00 0.00 28.75 29.29 1lkp h GLU 132 CO -0.18 0.70 0.15 -0.22 -0.73 0.00 0.00 179.01 178.73 1lkp h LYS 133 N 0.98 0.31 -0.18 1.92 3.64 -0.47 0.92 116.57 123.69 1lkp h LYS 133 Ca 0.26 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 1lkp h LYS 133 Cb -0.02 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 1lkp h LYS 133 CO -0.05 0.20 0.12 0.00 -2.27 0.00 0.00 179.45 177.45 1lkp h ARG 134 N 0.32 0.24 -0.52 1.90 3.08 -0.87 0.12 114.38 118.65 1lkp h ARG 134 Ca 0.17 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.21 1lkp h ARG 134 Cb 0.13 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 1lkp h ARG 134 CO -0.16 0.18 0.32 0.74 -1.07 0.00 0.00 179.97 179.98 1lkp h PHE 135 N 0.23 0.67 -0.49 3.04 0.04 -0.88 -0.87 116.94 118.69 1lkp h PHE 135 Ca 0.07 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.77 1lkp h PHE 135 Cb -0.01 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 37.90 1lkp h PHE 135 CO -0.06 0.45 0.03 -0.07 -0.60 0.00 0.00 178.31 178.06 1lkp h LEU 136 N 0.70 0.82 -0.39 1.54 3.38 -0.64 -0.64 115.31 120.07 1lkp h LEU 136 Ca 0.19 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1lkp h LEU 136 Cb -0.04 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1lkp h LEU 136 CO -0.04 0.91 0.23 0.44 0.09 0.00 0.00 178.44 180.07 1lkp h ASP 137 N 0.70 0.47 -0.54 -0.43 5.19 -0.73 -0.14 116.42 120.94 1lkp h ASP 137 Ca 0.14 -0.06 -0.10 0.00 -0.62 0.00 0.00 57.03 56.39 1lkp h ASP 137 Cb 0.47 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 39.84 1lkp h ASP 137 CO 0.02 0.38 -0.05 -0.26 -3.12 0.00 0.00 179.24 176.21 1lkp h PHE 138 N 0.51 1.11 -0.70 4.55 0.04 -1.06 -0.58 116.94 120.82 1lkp h PHE 138 Ca 0.14 -0.21 0.00 0.00 2.80 0.00 0.00 57.97 60.71 1lkp h PHE 138 Cb 0.00 -0.28 -0.03 0.00 2.20 0.00 0.00 35.95 37.84 1lkp h PHE 138 CO -0.04 1.01 0.45 0.00 -0.60 0.00 0.00 178.31 179.14 1lkp h ALA 139 N 1.01 0.88 -0.68 2.45 0.00 -0.84 -1.35 119.26 120.73 1lkp h ALA 139 Ca 0.15 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1lkp h ALA 139 Cb 0.60 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1lkp h ALA 139 CO 0.04 0.32 0.25 -0.09 0.00 0.00 0.00 179.25 179.77 1lkp h ARG 140 N 0.95 1.03 -0.79 0.00 2.43 -0.67 -0.89 114.38 116.44 1lkp h ARG 140 Ca 0.25 -0.20 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1lkp h ARG 140 Cb -0.09 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.26 1lkp h ARG 140 CO -0.05 0.87 0.48 -0.91 -1.51 0.00 0.00 179.97 178.85 1lkp h ASN 141 N 0.98 0.95 -0.12 -3.80 -0.26 -0.54 -0.35 115.58 112.43 1lkp h ASN 141 Ca 0.22 -0.06 -0.02 0.00 -0.56 0.00 0.00 56.30 55.89 1lkp h ASN 141 Cb 0.24 -0.24 -0.00 0.00 -1.06 0.00 0.00 38.32 37.26 1lkp h ASN 141 CO -0.01 0.73 0.02 0.40 -1.06 0.00 0.00 177.43 177.50 1lkp h ILE 142 N 1.08 1.23 -0.77 2.81 2.04 -0.92 0.26 117.51 123.25 1lkp h ILE 142 Ca 0.28 -0.72 0.01 0.00 1.00 0.00 0.00 64.86 65.43 1lkp h ILE 142 Cb -0.05 1.47 -0.04 0.00 -0.74 0.00 0.00 36.82 37.46 1lkp h ILE 142 CO -0.05 0.21 0.51 0.50 0.00 0.00 0.00 178.15 179.32 1lkp h LYS 143 N -0.03 1.01 -0.01 2.37 3.64 -0.88 -2.08 116.57 120.58 1lkp h LYS 143 Ca 0.04 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1lkp h LYS 143 Cb 0.31 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1lkp h LYS 143 CO 0.00 0.67 -0.05 0.39 -2.27 0.00 0.00 179.45 178.18 1lkp n GLU 144 N -4.42 1.37 -3.30 1.90 1.02 -0.17 -4.93 120.64 112.10 1lkp n GLU 144 Ca 0.09 -0.72 -0.18 0.00 -0.02 0.00 0.00 57.16 56.33 1lkp n GLU 144 Cb 0.04 -1.49 0.06 0.00 -0.02 0.00 0.00 31.44 30.03 1lkp n GLU 144 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1lkp n GLY 145 N 1.19 -0.15 0.32 0.62 0.00 -0.50 -4.93 105.19 101.75 1lkp n GLY 145 Ca 0.18 0.01 0.05 0.00 0.00 0.00 0.00 46.02 46.26 1lkp n GLY 145 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lkp n ARG 146 N -3.82 2.61 -0.13 1.61 5.12 0.82 -4.43 116.66 118.44 1lkp n ARG 146 Ca 0.00 -2.07 -0.12 0.00 -1.93 0.00 0.00 57.85 53.74 1lkp n ARG 146 Cb 0.55 -1.30 -0.02 0.00 -1.16 0.00 0.00 32.46 30.52 1lkp n ARG 146 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1lkp h VAL 147 N 0.82 1.28 0.00 1.55 2.07 -1.90 -3.34 116.25 116.73 1lkp h VAL 147 Ca 0.00 -1.28 0.00 0.00 0.82 0.00 0.00 66.70 66.24 1lkp h VAL 147 Cb 0.81 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 1lkp h VAL 147 CO 0.03 0.43 0.00 0.49 0.02 0.00 0.00 177.57 178.54 1lkp n PHE 148 N -4.29 0.00 -3.77 1.57 3.72 -1.26 -4.88 117.46 108.55 1lkp n PHE 148 Ca -0.02 -0.38 -0.13 0.00 -0.05 0.00 0.00 57.45 56.88 1lkp n PHE 148 Cb 0.40 -0.04 -0.13 0.00 -0.94 0.00 0.00 39.48 38.77 1lkp n PHE 148 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1lkp s LEU 149 N -0.76 0.92 0.26 4.37 2.96 -1.25 -1.26 118.68 123.92 1lkp s LEU 149 Ca 0.00 0.37 0.04 0.00 -0.22 0.00 0.00 54.13 54.33 1lkp s LEU 149 Cb 0.00 0.55 -0.06 0.00 0.50 0.00 0.00 46.19 47.18 1lkp s LEU 149 CO 0.00 -0.11 -0.01 -0.13 -1.32 0.00 0.00 176.35 174.78 1lkp s ARG 150 N 0.72 1.44 0.06 1.98 1.81 0.71 -4.29 118.95 121.39 1lkp s ARG 150 Ca -0.05 -1.74 -0.22 0.00 -1.72 0.00 0.00 55.73 51.99 1lkp s ARG 150 Cb -0.07 -0.81 -0.14 0.00 -0.45 0.00 0.00 34.95 33.49 1lkp s ARG 150 CO -0.04 -0.07 1.57 1.05 -0.68 0.00 0.00 175.30 177.13 1lkp h GLU 151 N 2.36 0.14 -6.25 3.54 9.09 -1.99 -3.44 114.58 118.02 1lkp h GLU 151 Ca -0.39 -0.03 -0.59 0.00 0.05 0.00 0.00 59.36 58.39 1lkp h GLU 151 Cb 1.23 -0.02 -0.09 0.00 -1.65 0.00 0.00 28.75 28.22 1lkp h GLU 151 CO 0.66 0.30 -0.61 -0.65 0.05 0.00 0.00 179.01 178.76 1lkp s GLN 152 N -5.39 2.71 0.34 1.06 -1.52 -1.26 -4.99 119.66 110.60 1lkp s GLN 152 Ca -0.14 -0.93 -0.29 0.00 -1.95 0.00 0.00 55.36 52.05 1lkp s GLN 152 Cb 0.05 -2.55 -0.11 0.00 -0.22 0.00 0.00 33.01 30.19 1lkp s GLN 152 CO 0.69 0.49 1.50 0.00 -0.25 0.00 0.00 175.29 177.71 1lkp s ALA 153 N -1.68 3.63 0.06 6.09 0.00 -1.26 -4.57 121.76 124.02 1lkp s ALA 153 Ca 0.29 1.53 -0.00 0.00 0.00 0.00 0.00 51.96 53.78 1lkp s ALA 153 Cb -0.10 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.41 1lkp s ALA 153 CO 0.21 -0.97 0.08 -2.37 0.00 0.00 0.00 175.76 172.71 1lkp n THR 154 N 1.20 0.00 -4.22 0.00 5.66 -0.15 -4.89 114.28 111.88 1lkp n THR 154 Ca 0.04 -0.33 -0.34 0.00 -3.05 0.00 0.00 64.05 60.37 1lkp n THR 154 Cb 0.39 0.19 -0.10 0.00 -1.55 0.00 0.00 70.33 69.26 1lkp n THR 154 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1lkp s LYS 155 N -2.15 3.68 -0.06 1.09 1.02 -1.26 -1.25 119.74 120.81 1lkp s LYS 155 Ca 0.05 -0.42 0.04 0.00 0.02 0.00 0.00 55.97 55.67 1lkp s LYS 155 Cb -0.00 -3.03 -0.02 0.00 -0.52 0.00 0.00 37.83 34.26 1lkp s LYS 155 CO 0.04 0.35 -0.18 -1.58 -0.92 0.00 0.00 175.35 173.05 1lkp s TRP 156 N 0.12 2.61 -0.07 3.18 0.52 0.98 -1.02 118.94 125.26 1lkp s TRP 156 Ca 0.02 -0.44 0.03 0.00 0.02 0.00 0.00 56.10 55.73 1lkp s TRP 156 Cb -0.13 -1.65 -0.02 0.00 -1.15 0.00 0.00 33.47 30.52 1lkp s TRP 156 CO 0.02 -0.03 -0.15 0.50 0.02 0.00 0.00 176.95 177.30 1lkp s ARG 157 N -0.35 2.75 -0.30 4.98 3.52 0.96 0.04 118.95 130.57 1lkp s ARG 157 Ca 0.03 -0.72 -0.27 0.00 -0.13 0.00 0.00 55.73 54.64 1lkp s ARG 157 Cb -0.12 -2.42 0.01 0.00 -1.56 0.00 0.00 34.95 30.85 1lkp s ARG 157 CO 0.02 0.48 0.95 0.00 -0.81 0.00 0.00 175.30 175.94 1lkp h ARG 159 N 7.97 0.00 -0.20 0.00 3.08 -1.15 0.30 114.38 124.38 1lkp h ARG 159 Ca -0.22 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.67 1lkp h ARG 159 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.13 1lkp h ARG 159 CO 0.96 0.16 -0.51 -0.97 -1.07 0.00 0.00 179.97 178.54 1lkp h ASN 160 N 0.00 0.80 0.00 7.04 -0.73 -1.91 -3.40 115.58 117.38 1lkp h ASN 160 Ca -0.00 -0.57 0.00 0.00 1.87 0.00 0.00 56.30 57.60 1lkp h ASN 160 Cb 0.40 -0.23 0.00 0.00 0.27 0.00 0.00 38.32 38.76 1lkp h ASN 160 CO 0.02 1.23 0.00 0.00 -0.37 0.00 0.00 177.43 178.31 1lkp n GLY 162 N 0.30 0.78 3.74 0.00 0.00 0.11 -5.01 105.19 105.10 1lkp n GLY 162 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1lkp n GLY 162 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1lkp n TYR 163 N -2.07 2.55 -4.30 1.61 9.36 -1.26 -4.59 117.16 118.46 1lkp n TYR 163 Ca 0.00 0.46 -0.34 0.00 3.32 0.00 0.00 57.90 61.34 1lkp n TYR 163 Cb 0.00 -2.44 -0.14 0.00 -0.63 0.00 0.00 39.34 36.13 1lkp n TYR 163 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 1lkp s VAL 164 N -1.19 3.09 -0.11 2.97 1.01 -1.26 -0.49 120.40 124.42 1lkp s VAL 164 Ca 0.61 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.98 1lkp s VAL 164 Cb -0.47 -2.35 -0.02 0.00 0.00 0.00 0.00 36.38 33.54 1lkp s VAL 164 CO 0.58 0.48 -0.10 -2.28 0.00 0.00 0.00 175.10 173.78 1lkp s HIS 165 N 0.96 2.85 -0.22 5.22 2.46 0.11 -4.94 115.29 121.73 1lkp s HIS 165 Ca -0.01 -0.35 -0.06 0.00 0.47 0.00 0.00 55.06 55.10 1lkp s HIS 165 Cb -0.15 -1.79 -0.03 0.00 -0.13 0.00 0.00 32.58 30.48 1lkp s HIS 165 CO -0.01 0.01 0.04 -1.21 -2.47 0.00 0.00 174.74 171.10 1lkp s GLU 166 N -0.10 3.67 0.00 2.88 2.02 -1.26 -0.01 118.70 125.89 1lkp s GLU 166 Ca -0.01 -0.49 0.00 0.00 0.02 0.00 0.00 54.97 54.50 1lkp s GLU 166 Cb -0.14 -3.19 0.00 0.00 0.10 0.00 0.00 34.13 30.90 1lkp s GLU 166 CO 0.03 -0.05 0.00 0.41 0.02 0.00 0.00 175.26 175.67 1lkp n GLY 167 N 4.47 -0.88 0.24 -1.39 0.00 -0.38 -4.95 105.19 102.30 1lkp n GLY 167 Ca -0.17 -1.20 0.12 0.00 0.00 0.00 0.00 46.02 44.77 1lkp n GLY 167 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1lkp h THR 168 N 3.00 0.39 -3.69 2.61 1.35 -1.84 -0.36 112.91 114.36 1lkp h THR 168 Ca 0.00 -0.96 -0.08 0.00 -0.55 0.00 0.00 66.41 64.82 1lkp h THR 168 Cb 0.00 1.71 -0.13 0.00 -1.73 0.00 0.00 68.15 68.00 1lkp h THR 168 CO 0.00 0.15 -0.28 -0.83 -0.25 0.00 0.00 175.52 174.32 1lkp s GLY 169 N -4.25 0.02 0.50 5.82 0.00 -1.26 -0.20 107.32 107.94 1lkp s GLY 169 Ca 0.01 -0.47 -0.22 0.00 0.00 0.00 0.00 44.72 44.04 1lkp s GLY 169 CO 0.61 -0.66 1.20 0.00 0.00 0.00 0.00 173.10 174.26 1lkp s ALA 170 N -3.85 2.86 0.64 3.20 0.00 -0.39 -4.97 121.76 119.25 1lkp s ALA 170 Ca 0.05 1.01 -0.13 0.00 0.00 0.00 0.00 51.96 52.89 1lkp s ALA 170 Cb 0.04 -3.42 -0.02 0.00 0.00 0.00 0.00 23.12 19.72 1lkp s ALA 170 CO -0.10 -0.87 1.06 -1.25 0.00 0.00 0.00 175.76 174.60 1lkp s PRO 171 N -2.88 3.14 0.37 0.00 0.04 -1.26 -4.95 135.00 129.44 1lkp s PRO 171 Ca 0.68 1.08 0.06 0.00 0.04 0.00 0.00 61.00 62.85 1lkp s PRO 171 Cb -0.30 -2.01 0.70 0.00 0.04 0.00 0.00 34.50 32.93 1lkp s PRO 171 CO 0.36 -0.95 1.95 0.93 0.04 0.00 0.00 177.00 179.33 1lkp h GLU 172 N -0.12 0.52 -3.73 4.56 4.39 -1.95 -3.31 114.58 114.95 1lkp h GLU 172 Ca -0.45 -0.08 -0.24 0.00 0.34 0.00 0.00 59.36 58.93 1lkp h GLU 172 Cb 1.21 -0.09 -0.29 0.00 -0.10 0.00 0.00 28.75 29.48 1lkp h GLU 172 CO 0.57 0.47 -0.72 -0.51 -1.16 0.00 0.00 179.01 177.66 1lkp s LEU 173 N -9.22 1.89 0.03 1.33 1.43 -1.26 -1.55 118.68 111.33 1lkp s LEU 173 Ca -0.08 0.00 -0.30 0.00 -1.03 0.00 0.00 54.13 52.72 1lkp s LEU 173 Cb 0.16 -0.02 -0.06 0.00 0.03 0.00 0.00 46.19 46.30 1lkp s LEU 173 CO 0.75 -0.01 1.43 0.00 0.23 0.00 0.00 176.35 178.75 1lkp h PRO 175 N 7.72 0.00 0.00 0.00 0.13 -1.97 -0.01 132.00 137.88 1lkp h PRO 175 Ca -0.39 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.70 1lkp h PRO 175 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1lkp h PRO 175 CO 0.90 0.00 -0.68 0.00 -0.23 0.00 0.00 178.00 177.99 1lkp n ALA 176 N -1.88 0.54 0.94 -0.56 0.00 -1.26 -4.67 120.51 113.62 1lkp n ALA 176 Ca 0.00 -0.47 0.11 0.00 0.00 0.00 0.00 53.44 53.09 1lkp n ALA 176 Cb 0.19 -0.06 0.06 0.00 0.00 0.00 0.00 19.45 19.64 1lkp n ALA 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1lkp n ALA 178 N 0.82 -0.07 -1.91 0.00 0.00 -0.02 -4.97 120.51 114.37 1lkp n ALA 178 Ca 0.12 0.07 -0.31 0.00 0.00 0.00 0.00 53.44 53.31 1lkp n ALA 178 Cb 0.52 -1.27 -0.02 0.00 0.00 0.00 0.00 19.45 18.69 1lkp n ALA 178 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1lkp s HIS 179 N -1.63 3.51 0.85 0.00 3.76 -1.26 -4.60 115.29 115.92 1lkp s HIS 179 Ca 0.00 1.34 -0.11 0.00 -0.15 0.00 0.00 55.06 56.14 1lkp s HIS 179 Cb 0.00 -2.71 0.10 0.00 1.11 0.00 0.00 32.58 31.08 1lkp s HIS 179 CO 0.00 -0.43 1.10 -1.25 -0.85 0.00 0.00 174.74 173.31 1lkp s PRO 180 N -4.41 1.65 0.51 8.40 0.04 -1.26 -0.69 135.00 139.23 1lkp s PRO 180 Ca 0.56 1.13 0.38 0.00 0.04 0.00 0.00 61.00 63.11 1lkp s PRO 180 Cb -0.10 -1.83 1.54 0.00 0.04 0.00 0.00 34.50 34.15 1lkp s PRO 180 CO 0.39 -2.06 1.69 -0.22 0.04 0.00 0.00 177.00 176.84 1lkp h LYS 181 N -1.43 0.06 -0.86 4.56 3.64 -1.37 -1.28 116.57 119.89 1lkp h LYS 181 Ca -0.46 -0.00 0.25 0.00 -1.27 0.00 0.00 60.65 59.17 1lkp h LYS 181 Cb 1.26 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.03 1lkp h LYS 181 CO 0.50 0.04 0.76 0.00 -2.27 0.00 0.00 179.45 178.48 1lkp h ALA 182 N 1.34 2.71 -0.00 5.00 0.00 -1.88 0.02 119.26 126.45 1lkp h ALA 182 Ca 0.74 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.62 1lkp h ALA 182 Cb 2.73 0.06 0.00 0.00 0.00 0.00 0.00 17.79 20.59 1lkp h ALA 182 CO -0.12 -1.20 -0.10 0.72 0.00 0.00 0.00 179.25 178.55 1lkp n HIS 183 N -3.85 0.00 -3.11 0.00 8.25 -0.48 -1.81 115.22 114.22 1lkp n HIS 183 Ca 0.18 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.32 1lkp n HIS 183 Cb 1.05 -0.32 -0.06 0.00 1.12 0.00 0.00 29.99 31.78 1lkp n HIS 183 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1lkp s PHE 184 N -2.74 3.37 0.15 4.41 0.40 -0.01 -0.53 117.98 123.03 1lkp s PHE 184 Ca 0.22 1.25 -0.06 0.00 -0.60 0.00 0.00 56.93 57.73 1lkp s PHE 184 Cb 0.19 -2.56 -0.02 0.00 0.51 0.00 0.00 43.02 41.14 1lkp s PHE 184 CO 0.52 0.08 0.20 -1.83 0.70 0.00 0.00 175.22 174.89 1lkp s GLU 185 N -2.99 1.05 0.24 0.44 -1.05 -0.43 -4.71 118.70 111.25 1lkp s GLU 185 Ca 0.55 -1.23 -0.30 0.00 -0.15 0.00 0.00 54.97 53.84 1lkp s GLU 185 Cb -0.10 0.33 -0.09 0.00 -0.44 0.00 0.00 34.13 33.83 1lkp s GLU 185 CO 0.17 -0.36 1.31 -0.51 0.95 0.00 0.00 175.26 176.82 1lkp s LEU 186 N -2.98 4.42 0.04 1.83 1.43 -1.26 -0.03 118.68 122.14 1lkp s LEU 186 Ca 0.18 2.48 -0.30 0.00 -1.03 0.00 0.00 54.13 55.45 1lkp s LEU 186 Cb 0.05 -3.62 -0.08 0.00 0.03 0.00 0.00 46.19 42.57 1lkp s LEU 186 CO -0.01 -0.52 1.73 -0.22 0.23 0.00 0.00 176.35 177.57 1lkp s LEU 187 N -0.56 4.37 0.02 1.79 1.98 -0.19 -4.67 118.68 121.41 1lkp s LEU 187 Ca 0.55 2.50 0.06 0.00 -2.89 0.00 0.00 54.13 54.35 1lkp s LEU 187 Cb -0.37 -3.55 -0.03 0.00 0.66 0.00 0.00 46.19 42.89 1lkp s LEU 187 CO 0.42 -0.94 -0.16 -0.83 -1.89 0.00 0.00 176.35 172.94 1lkp s GLY 188 N 3.00 1.57 -0.37 7.98 0.00 -1.26 -4.96 107.32 113.27 1lkp s GLY 188 Ca 0.77 -1.13 0.00 0.00 0.00 0.00 0.00 44.72 44.36 1lkp s GLY 188 CO 0.34 -1.00 0.17 -0.42 0.00 0.00 0.00 173.10 172.19 1lkp s ILE 189 N -0.88 0.97 -0.84 0.90 1.01 -1.26 -5.02 121.20 116.08 1lkp s ILE 189 Ca 0.14 -1.92 0.01 0.00 0.00 0.00 0.00 60.65 58.88 1lkp s ILE 189 Cb -0.11 -1.71 0.31 0.00 0.01 0.00 0.00 42.46 40.96 1lkp s ILE 189 CO 0.04 -0.82 1.28 -0.46 0.00 0.00 0.00 174.94 174.98 1lkp n ASN 190 N 4.18 5.60 0.00 3.58 2.04 -1.26 -5.35 115.26 124.05 1lkp n ASN 190 Ca 0.04 -3.57 0.00 0.00 -0.44 0.00 0.00 54.58 50.61 1lkp n ASN 190 Cb 0.38 -0.92 0.00 0.00 -2.53 0.00 0.00 39.78 36.71 1lkp n ASN 190 CO 0.00 0.00 0.00 -2.67 -0.44 0.00 0.00 177.26 174.15