#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lyn n ASN 12 N 0.00 0.00 0.05 4.38 4.05 -1.26 -1.62 115.26 120.86 3lyn n ASN 12 Ca 0.00 0.00 -0.05 0.00 0.45 0.00 0.00 54.58 54.98 3lyn n ASN 12 Cb 0.00 0.00 -0.10 0.00 1.23 0.00 0.00 39.78 40.91 3lyn n ASN 12 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 177.26 174.32 3lyn h LYS 13 N 0.00 0.00 -0.62 1.20 1.79 -2.05 -0.66 116.57 116.23 3lyn h LYS 13 Ca 0.00 0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.51 3lyn h LYS 13 Cb 0.00 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.61 3lyn h LYS 13 CO 0.00 0.72 0.41 0.00 -1.08 0.00 0.00 179.45 179.51 3lyn h ALA 14 N 1.12 1.68 0.03 3.86 0.00 -1.74 0.96 119.26 125.17 3lyn h ALA 14 Ca -0.10 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3lyn h ALA 14 Cb 1.76 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.35 3lyn h ALA 14 CO 0.10 0.25 -0.02 1.88 0.00 0.00 0.00 179.25 181.46 3lyn h TYR 15 N 0.72 -0.04 -0.68 0.00 0.05 -1.01 -1.55 116.97 114.45 3lyn h TYR 15 Ca 0.25 -0.00 0.09 0.00 0.05 0.00 0.00 58.73 59.13 3lyn h TYR 15 Cb 0.11 0.01 -0.07 0.00 1.01 0.00 0.00 36.73 37.79 3lyn h TYR 15 CO -0.00 0.51 0.32 1.49 -1.05 0.00 0.00 178.16 179.43 3lyn h GLU 16 N -0.63 0.53 -0.22 4.88 4.81 -0.98 -1.85 114.58 121.12 3lyn h GLU 16 Ca -0.00 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 3lyn h GLU 16 Cb 0.57 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 3lyn h GLU 16 CO 0.01 0.35 0.04 0.28 -0.73 0.00 0.00 179.01 178.96 3lyn h VAL 17 N 0.54 1.22 -0.77 0.32 2.07 -0.75 0.05 116.25 118.94 3lyn h VAL 17 Ca 0.34 -0.72 -0.05 0.00 0.82 0.00 0.00 66.70 67.09 3lyn h VAL 17 Cb 0.38 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 3lyn h VAL 17 CO -0.28 0.23 0.30 0.00 0.02 0.00 0.00 177.57 177.83 3lyn h THR 18 N 0.16 1.26 -0.34 2.57 1.03 -1.09 -0.82 112.91 115.68 3lyn h THR 18 Ca 0.07 -0.82 -0.00 0.00 -0.01 0.00 0.00 66.41 65.64 3lyn h THR 18 Cb 0.30 0.36 -0.02 0.00 -1.07 0.00 0.00 68.15 67.73 3lyn h THR 18 CO 0.00 0.33 0.20 0.24 -0.01 0.00 0.00 175.52 176.28 3lyn h MET 19 N 1.11 0.47 -0.86 0.00 2.07 -1.16 -1.45 114.93 115.12 3lyn h MET 19 Ca 0.25 -0.05 0.00 0.00 -2.07 0.00 0.00 59.70 57.84 3lyn h MET 19 Cb 0.23 -0.09 -0.04 0.00 -1.87 0.00 0.00 31.60 29.82 3lyn h MET 19 CO -0.02 0.37 0.54 0.87 1.07 0.00 0.00 176.91 179.74 3lyn h LYS 20 N 0.43 1.15 -0.58 1.72 1.57 -0.65 -0.39 116.57 119.81 3lyn h LYS 20 Ca 0.12 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3lyn h LYS 20 Cb 0.03 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.07 3lyn h LYS 20 CO -0.02 0.78 0.37 0.82 -0.57 0.00 0.00 179.45 180.84 3lyn h ILE 21 N 1.17 1.16 -0.22 1.86 2.04 -0.88 -0.72 117.51 121.91 3lyn h ILE 21 Ca 0.31 -0.30 -0.15 0.00 1.00 0.00 0.00 64.86 65.72 3lyn h ILE 21 Cb -0.09 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.30 3lyn h ILE 21 CO -0.06 0.15 -0.47 1.56 0.00 0.00 0.00 178.15 179.33 3lyn h GLN 22 N 0.78 0.57 -0.05 2.37 1.08 -0.91 -0.56 115.11 118.40 3lyn h GLN 22 Ca 0.21 -0.32 -0.02 0.00 -1.45 0.00 0.00 58.65 57.07 3lyn h GLN 22 Cb -0.07 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.38 3lyn h GLN 22 CO -0.04 0.92 -0.06 0.82 -0.95 0.00 0.00 178.83 179.52 3lyn h ILE 23 N 0.46 1.39 -0.82 2.54 2.04 -0.81 0.30 117.51 122.61 3lyn h ILE 23 Ca 0.03 -1.26 -0.03 0.00 1.00 0.00 0.00 64.86 64.61 3lyn h ILE 23 Cb 0.99 2.13 -0.04 0.00 -0.74 0.00 0.00 36.82 39.16 3lyn h ILE 23 CO 0.09 0.34 0.41 0.40 0.00 0.00 0.00 178.15 179.39 3lyn h ILE 24 N -0.35 1.25 -0.87 -0.67 1.08 -1.16 0.16 117.51 116.96 3lyn h ILE 24 Ca 0.01 -0.68 0.02 0.00 -0.39 0.00 0.00 64.86 63.82 3lyn h ILE 24 Cb 0.58 0.18 -0.05 0.00 -3.07 0.00 0.00 36.82 34.47 3lyn h ILE 24 CO 0.01 0.29 0.57 -1.28 -0.69 0.00 0.00 178.15 177.06 3lyn h SER 25 N 1.16 0.97 -0.14 1.72 0.87 -0.98 0.23 113.55 117.36 3lyn h SER 25 Ca 0.28 -0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 60.75 3lyn h SER 25 Cb 0.09 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 61.82 3lyn h SER 25 CO -0.04 0.69 -0.21 1.23 -0.53 0.00 0.00 176.83 177.97 3lyn h GLY 26 N 1.14 0.43 1.02 5.77 0.00 -0.10 -0.05 103.07 111.28 3lyn h GLY 26 Ca 0.33 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 3lyn h GLY 26 CO -0.09 0.43 0.51 0.74 0.00 0.00 0.00 176.54 178.13 3lyn h PHE 27 N 0.01 1.20 -0.42 5.60 0.04 -0.55 -1.95 116.94 120.87 3lyn h PHE 27 Ca 0.01 -0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.71 3lyn h PHE 27 Cb 0.77 -0.39 -0.02 0.00 2.20 0.00 0.00 35.95 38.51 3lyn h PHE 27 CO 0.09 0.81 0.01 -0.44 -0.60 0.00 0.00 178.31 178.19 3lyn h ASP 28 N 1.23 0.63 -0.62 2.17 3.32 -0.82 -1.39 116.42 120.95 3lyn h ASP 28 Ca 0.32 -0.13 -0.05 0.00 0.02 0.00 0.00 57.03 57.19 3lyn h ASP 28 Cb -0.01 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 3lyn h ASP 28 CO -0.05 0.70 0.21 -0.09 -1.72 0.00 0.00 179.24 178.29 3lyn h ARG 29 N 0.64 0.96 -0.63 3.56 9.65 -0.59 0.39 114.38 128.36 3lyn h ARG 29 Ca 0.13 -0.20 -0.00 0.00 -1.10 0.00 0.00 59.98 58.81 3lyn h ARG 29 Cb 0.38 -0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 28.78 3lyn h ARG 29 CO 0.01 0.83 0.38 1.96 2.80 0.00 0.00 179.97 185.96 3lyn h GLN 30 N 0.89 0.85 -0.30 0.20 4.20 -0.58 -1.45 115.11 118.91 3lyn h GLN 30 Ca 0.20 -0.07 -0.09 0.00 0.06 0.00 0.00 58.65 58.74 3lyn h GLN 30 Cb 0.26 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 3lyn h GLN 30 CO -0.01 0.60 -0.18 1.25 -0.67 0.00 0.00 178.83 179.82 3lyn h LEU 31 N 0.85 0.68 -0.75 1.46 5.85 -1.02 -0.85 115.31 121.53 3lyn h LEU 31 Ca 0.23 -0.42 -0.05 0.00 0.84 0.00 0.00 57.88 58.47 3lyn h LEU 31 Cb -0.03 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.78 3lyn h LEU 31 CO -0.04 0.96 0.27 0.71 -0.34 0.00 0.00 178.44 180.00 3lyn h THR 32 N 0.41 1.26 -0.57 1.05 1.35 -0.84 0.27 112.91 115.83 3lyn h THR 32 Ca 0.06 -0.84 -0.00 0.00 -0.55 0.00 0.00 66.41 65.08 3lyn h THR 32 Cb 0.72 0.40 -0.03 0.00 -1.73 0.00 0.00 68.15 67.51 3lyn h THR 32 CO 0.05 0.34 0.35 0.00 -0.25 0.00 0.00 175.52 176.01 3lyn h ALA 33 N 1.14 0.72 -0.57 6.62 0.00 -1.17 -2.38 119.26 123.62 3lyn h ALA 33 Ca 0.25 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 3lyn h ALA 33 Cb 0.25 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3lyn h ALA 33 CO -0.02 0.19 0.25 2.35 0.00 0.00 0.00 179.25 182.02 3lyn h TRP 34 N 0.77 0.85 -0.08 0.00 7.01 -0.63 -2.72 115.95 121.14 3lyn h TRP 34 Ca 0.21 -0.06 -0.03 0.00 2.11 0.00 0.00 58.89 61.12 3lyn h TRP 34 Cb -0.04 -0.26 -0.01 0.00 -2.10 0.00 0.00 29.16 26.75 3lyn h TRP 34 CO -0.03 0.67 -0.07 -0.07 -2.79 0.00 0.00 178.44 176.16 3lyn h LEU 35 N 0.78 0.11 -1.67 0.65 3.38 -0.27 0.11 115.31 118.40 3lyn h LEU 35 Ca 0.19 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 3lyn h LEU 35 Cb 0.17 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3lyn h LEU 35 CO -0.02 0.20 -0.11 0.03 0.09 0.00 0.00 178.44 178.64 3lyn h ARG 36 N 0.12 0.08 0.00 1.13 3.08 -1.10 0.46 114.38 118.14 3lyn h ARG 36 Ca 0.03 -0.01 -0.14 0.00 0.07 0.00 0.00 59.98 59.92 3lyn h ARG 36 Cb 0.21 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 3lyn h ARG 36 CO 0.01 0.19 -0.81 0.28 -1.07 0.00 0.00 179.97 178.57 3lyn h VAL 37 N 0.07 1.14 -0.02 2.04 2.07 -1.38 -3.42 116.25 116.75 3lyn h VAL 37 Ca 0.02 -2.16 0.00 0.00 0.82 0.00 0.00 66.70 65.37 3lyn h VAL 37 Cb 0.24 2.46 0.00 0.00 -1.52 0.00 0.00 31.29 32.47 3lyn h VAL 37 CO 0.02 0.39 -0.26 1.41 0.02 0.00 0.00 177.57 179.14 3lyn n HIS 38 N -4.50 0.00 0.34 1.57 8.25 0.31 -4.68 115.22 116.51 3lyn n HIS 38 Ca -0.24 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.37 3lyn n HIS 38 Cb 0.59 0.00 0.58 0.00 1.12 0.00 0.00 29.99 32.27 3lyn n HIS 38 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 3lyn h GLY 39 N 4.07 0.00 0.22 -1.41 0.00 -0.25 -3.32 103.07 102.38 3lyn h GLY 39 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 47.33 47.46 3lyn h GLY 39 CO 0.00 0.00 0.33 0.07 0.00 0.00 0.00 176.54 176.94 3lyn h ARG 40 N 0.00 0.49 0.00 4.80 -0.00 -1.83 -2.66 114.38 115.18 3lyn h ARG 40 Ca 0.00 -0.03 -0.09 0.00 -0.00 0.00 0.00 59.98 59.86 3lyn h ARG 40 Cb 0.48 -0.11 -0.01 0.00 -0.00 0.00 0.00 29.97 30.32 3lyn h ARG 40 CO 0.00 0.32 -0.43 0.00 -0.00 0.00 0.00 179.97 179.86 3lyn h ARG 41 N 0.50 0.00 -6.20 0.08 2.47 -1.96 -3.47 114.38 105.80 3lyn h ARG 41 Ca 0.41 0.00 -0.58 0.00 -1.26 0.00 0.00 59.98 58.55 3lyn h ARG 41 Cb 0.59 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.86 3lyn h ARG 41 CO -0.37 0.43 -0.19 -0.51 0.56 0.00 0.00 179.97 179.89 3lyn s LEU 42 N -7.03 4.33 0.76 3.04 1.43 -1.00 -5.08 118.68 115.12 3lyn s LEU 42 Ca 0.00 0.88 -0.11 0.00 -1.03 0.00 0.00 54.13 53.87 3lyn s LEU 42 Cb 0.11 -3.14 0.04 0.00 0.03 0.00 0.00 46.19 43.23 3lyn s LEU 42 CO 0.70 0.13 1.09 0.42 0.23 0.00 0.00 176.35 178.92 3lyn s THR 43 N -1.46 3.41 0.39 5.49 -4.23 -1.26 -4.87 115.64 113.10 3lyn s THR 43 Ca 0.36 0.46 0.08 0.00 -1.18 0.00 0.00 61.69 61.41 3lyn s THR 43 Cb -0.14 -3.24 0.30 0.00 1.34 0.00 0.00 72.50 70.75 3lyn s THR 43 CO 0.19 -0.60 1.98 -1.13 -0.54 0.00 0.00 174.62 174.52 3lyn h ASN 44 N -0.92 0.56 -0.39 3.99 -0.73 -1.98 -0.42 115.58 115.69 3lyn h ASN 44 Ca -0.46 0.00 -0.11 0.00 1.87 0.00 0.00 56.30 57.61 3lyn h ASN 44 Cb 1.25 -0.12 -0.02 0.00 0.27 0.00 0.00 38.32 39.70 3lyn h ASN 44 CO 0.59 0.36 -0.15 0.78 -0.37 0.00 0.00 177.43 178.65 3lyn h ASN 45 N 0.64 0.86 -0.64 1.15 2.35 -2.00 -1.69 115.58 116.25 3lyn h ASN 45 Ca 0.27 -0.28 -0.04 0.00 -0.55 0.00 0.00 56.30 55.70 3lyn h ASN 45 Cb 0.27 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.37 3lyn h ASN 45 CO -0.08 1.01 0.25 1.56 -1.65 0.00 0.00 177.43 178.51 3lyn h GLN 46 N 0.76 0.98 -0.23 0.81 4.20 -1.46 -0.55 115.11 119.63 3lyn h GLN 46 Ca 0.12 -0.17 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 3lyn h GLN 46 Cb 0.66 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 3lyn h GLN 46 CO 0.05 0.81 0.13 0.87 -0.67 0.00 0.00 178.83 180.02 3lyn h LYS 47 N 0.96 0.32 -0.72 1.46 1.57 -1.08 -1.86 116.57 117.23 3lyn h LYS 47 Ca 0.22 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3lyn h LYS 47 Cb 0.21 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 3lyn h LYS 47 CO -0.02 0.28 0.46 0.87 -0.57 0.00 0.00 179.45 180.47 3lyn h LYS 48 N 0.27 0.95 -0.94 3.15 1.57 -0.89 -1.51 116.57 119.18 3lyn h LYS 48 Ca 0.08 -0.07 0.04 0.00 -1.87 0.00 0.00 60.65 58.83 3lyn h LYS 48 Cb 0.05 -0.21 -0.05 0.00 0.08 0.00 0.00 32.23 32.10 3lyn h LYS 48 CO -0.01 0.65 0.61 1.15 -0.57 0.00 0.00 179.45 181.28 3lyn h THR 49 N 0.98 1.15 -0.03 -0.16 2.02 -0.78 -0.92 112.91 115.16 3lyn h THR 49 Ca 0.26 -0.40 -0.10 0.00 0.77 0.00 0.00 66.41 66.94 3lyn h THR 49 Cb -0.08 -0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.20 3lyn h THR 49 CO -0.05 0.21 -0.47 -0.07 0.37 0.00 0.00 175.52 175.51 3lyn h LEU 50 N 1.16 0.08 -0.72 2.58 3.38 -0.46 0.33 115.31 121.67 3lyn h LEU 50 Ca 0.38 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 58.20 3lyn h LEU 50 Cb 0.03 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3lyn h LEU 50 CO -0.12 0.54 -0.19 -0.26 0.09 0.00 0.00 178.44 178.50 3lyn h PHE 51 N 0.07 0.87 -0.52 1.13 0.04 -0.88 -1.63 116.94 116.03 3lyn h PHE 51 Ca 0.00 -0.19 0.04 0.00 2.80 0.00 0.00 57.97 60.63 3lyn h PHE 51 Cb 0.85 -0.21 -0.04 0.00 2.20 0.00 0.00 35.95 38.74 3lyn h PHE 51 CO 0.01 0.90 0.26 0.35 -0.60 0.00 0.00 178.31 179.23 3lyn h PHE 52 N 0.69 0.48 -0.97 -0.55 3.57 -0.62 -2.25 116.94 117.28 3lyn h PHE 52 Ca 0.10 0.02 0.14 0.00 3.53 0.00 0.00 57.97 61.76 3lyn h PHE 52 Cb 0.69 -0.14 -0.09 0.00 2.79 0.00 0.00 35.95 39.20 3lyn h PHE 52 CO 0.04 0.24 0.59 0.28 -2.23 0.00 0.00 178.31 177.22 3lyn h VAL 53 N 0.51 0.84 -0.24 1.41 2.07 -0.35 -0.25 116.25 120.24 3lyn h VAL 53 Ca 0.23 -0.30 0.02 0.00 0.82 0.00 0.00 66.70 67.47 3lyn h VAL 53 Cb 0.13 -0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 29.77 3lyn h VAL 53 CO -0.16 0.16 0.09 0.78 0.02 0.00 0.00 177.57 178.47 3lyn h ASN 54 N 0.88 0.12 -0.58 0.57 2.35 -0.71 0.32 115.58 118.53 3lyn h ASN 54 Ca 0.51 0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 56.19 3lyn h ASN 54 Cb 0.60 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.95 3lyn h ASN 54 CO -0.31 0.10 0.02 0.03 -1.65 0.00 0.00 177.43 175.62 3lyn h ARG 55 N 0.21 1.03 -0.48 0.81 3.08 -1.13 -1.95 114.38 115.95 3lyn h ARG 55 Ca 0.10 -0.31 -0.10 0.00 0.07 0.00 0.00 59.98 59.74 3lyn h ARG 55 Cb 0.06 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 3lyn h ARG 55 CO -0.10 0.99 -0.11 -0.09 -1.07 0.00 0.00 179.97 179.60 3lyn h ARG 56 N 0.94 0.92 -0.92 0.04 9.65 -0.74 -1.09 114.38 123.19 3lyn h ARG 56 Ca 0.17 -0.35 0.05 0.00 -1.10 0.00 0.00 59.98 58.75 3lyn h ARG 56 Cb 0.52 -0.05 -0.06 0.00 -1.39 0.00 0.00 29.97 28.99 3lyn h ARG 56 CO 0.03 1.00 0.59 -0.92 2.80 0.00 0.00 179.97 183.47 3lyn h TYR 57 N 0.77 1.10 -0.28 2.20 5.03 -0.17 -0.26 116.97 125.36 3lyn h TYR 57 Ca 0.12 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.45 3lyn h TYR 57 Cb 0.66 -0.36 -0.01 0.00 1.55 0.00 0.00 36.73 38.56 3lyn h TYR 57 CO 0.05 0.61 0.15 1.98 -1.32 0.00 0.00 178.16 179.63 3lyn h MET 58 N 1.12 0.39 -0.51 1.82 4.05 -0.98 -2.50 114.93 118.32 3lyn h MET 58 Ca 0.38 -0.05 0.05 0.00 -0.28 0.00 0.00 59.70 59.80 3lyn h MET 58 Cb 0.06 -0.08 -0.05 0.00 -0.80 0.00 0.00 31.60 30.74 3lyn h MET 58 CO -0.14 0.35 0.25 1.96 0.23 0.00 0.00 176.91 179.56 3lyn h GLN 59 N 0.33 0.47 0.00 0.39 4.20 -0.55 -1.06 115.11 118.89 3lyn h GLN 59 Ca 0.10 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.78 3lyn h GLN 59 Cb 0.07 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.75 3lyn h GLN 59 CO -0.02 0.31 0.00 0.25 -0.67 0.00 0.00 178.83 178.71 3lyn n THR 60 N -4.90 0.27 0.15 -0.54 -2.24 -0.17 -2.62 114.28 104.23 3lyn n THR 60 Ca 0.05 0.02 0.05 0.00 -2.27 0.00 0.00 64.05 61.90 3lyn n THR 60 Cb 0.14 -0.62 0.10 0.00 -2.10 0.00 0.00 70.33 67.85 3lyn n THR 60 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3lyn n HIS 61 N -1.60 0.22 -0.22 4.78 8.25 -0.95 -4.71 115.22 120.98 3lyn n HIS 61 Ca 0.06 -0.24 0.02 0.00 -0.26 0.00 0.00 57.72 57.30 3lyn n HIS 61 Cb 0.31 -0.01 0.14 0.00 1.12 0.00 0.00 29.99 31.55 3lyn n HIS 61 CO 0.00 0.00 0.00 2.35 0.64 0.00 0.00 176.34 179.33 3lyn h TRP 62 N 2.06 0.41 -0.78 4.41 2.91 -0.95 -0.57 115.95 123.44 3lyn h TRP 62 Ca 0.00 0.03 -0.02 0.00 1.13 0.00 0.00 58.89 60.03 3lyn h TRP 62 Cb 0.58 -0.08 -0.04 0.00 -0.51 0.00 0.00 29.16 29.12 3lyn h TRP 62 CO 0.11 0.06 0.41 1.96 -1.03 0.00 0.00 178.44 179.95 3lyn h GLN 63 N 0.40 1.10 -0.67 2.65 4.20 -1.82 0.27 115.11 121.23 3lyn h GLN 63 Ca 0.35 -0.14 -0.07 0.00 0.06 0.00 0.00 58.65 58.86 3lyn h GLN 63 Cb 0.49 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 28.04 3lyn h GLN 63 CO -0.37 0.83 0.17 -0.91 -0.67 0.00 0.00 178.83 177.88 3lyn h ASN 64 N 1.09 1.02 -0.22 1.46 4.21 -1.51 0.59 115.58 122.22 3lyn h ASN 64 Ca 0.27 -0.23 -0.05 0.00 1.21 0.00 0.00 56.30 57.50 3lyn h ASN 64 Cb 0.06 -0.27 -0.02 0.00 -1.12 0.00 0.00 38.32 36.98 3lyn h ASN 64 CO -0.04 0.99 0.00 1.88 -1.29 0.00 0.00 177.43 178.97 3lyn h TYR 65 N 1.01 0.51 -0.08 1.19 0.05 -0.45 -2.40 116.97 116.80 3lyn h TYR 65 Ca 0.21 -0.05 -0.23 0.00 0.05 0.00 0.00 58.73 58.72 3lyn h TYR 65 Cb 0.36 -0.15 0.01 0.00 1.01 0.00 0.00 36.73 37.96 3lyn h TYR 65 CO 0.03 0.51 -0.86 0.52 -1.05 0.00 0.00 178.16 177.30 3lyn h MET 66 N 0.48 0.65 -0.38 4.88 2.86 -0.16 0.31 114.93 123.58 3lyn h MET 66 Ca 0.11 -0.59 0.08 0.00 -2.06 0.00 0.00 59.70 57.23 3lyn h MET 66 Cb 0.31 0.14 -0.08 0.00 0.06 0.00 0.00 31.60 32.04 3lyn h MET 66 CO 0.01 1.21 -0.12 1.25 1.06 0.00 0.00 176.91 180.31 3lyn h LEU 67 N 0.41 -0.43 -0.34 1.22 5.85 -0.64 0.25 115.31 121.64 3lyn h LEU 67 Ca -0.07 0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 3lyn h LEU 67 Cb 1.49 0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.77 3lyn h LEU 67 CO 0.17 -0.15 0.01 -0.25 -0.34 0.00 0.00 178.44 177.87 3lyn h TRP 68 N -0.03 0.65 -0.64 1.25 7.01 -1.36 -2.72 115.95 120.10 3lyn h TRP 68 Ca 0.18 -0.11 -0.06 0.00 2.11 0.00 0.00 58.89 61.02 3lyn h TRP 68 Cb 0.32 -0.17 -0.03 0.00 -2.10 0.00 0.00 29.16 27.18 3lyn h TRP 68 CO -0.36 0.70 0.18 0.28 -2.79 0.00 0.00 178.44 176.45 3lyn h VAL 69 N 0.41 1.25 -0.70 2.65 2.07 0.05 -1.78 116.25 120.19 3lyn h VAL 69 Ca 0.10 -0.89 0.11 0.00 0.82 0.00 0.00 66.70 66.84 3lyn h VAL 69 Cb 0.44 0.61 -0.05 0.00 -1.52 0.00 0.00 31.29 30.77 3lyn h VAL 69 CO 0.02 0.34 0.47 0.50 0.02 0.00 0.00 177.57 178.91 3lyn h LYS 70 N 0.94 0.51 0.00 1.57 3.64 -0.41 -1.30 116.57 121.52 3lyn h LYS 70 Ca 0.20 -0.03 -0.20 0.00 -1.27 0.00 0.00 60.65 59.35 3lyn h LYS 70 Cb 0.32 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.00 3lyn h LYS 70 CO -0.00 0.34 -1.00 0.00 -2.27 0.00 0.00 179.45 176.52 3lyn h ARG 71 N 0.53 0.00 -0.23 1.90 3.08 -1.03 -2.93 114.38 115.71 3lyn h ARG 71 Ca 0.33 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 60.21 3lyn h ARG 71 Cb 0.57 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.62 3lyn h ARG 71 CO -0.11 0.91 -0.53 0.87 -1.07 0.00 0.00 179.97 180.04 3lyn h LYS 72 N 0.00 0.67 0.18 0.04 1.79 -0.74 -1.75 116.57 116.76 3lyn h LYS 72 Ca -0.03 -0.41 -0.01 0.00 -2.18 0.00 0.00 60.65 58.02 3lyn h LYS 72 Cb 1.75 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 32.44 3lyn h LYS 72 CO 0.12 1.03 -0.09 0.82 -1.08 0.00 0.00 179.45 180.25 3lyn h ILE 73 N 0.52 0.93 -0.91 1.86 1.08 -1.33 -2.97 117.51 116.69 3lyn h ILE 73 Ca 0.01 -0.72 0.26 0.00 -0.39 0.00 0.00 64.86 64.02 3lyn h ILE 73 Cb 1.10 1.35 -0.15 0.00 -3.07 0.00 0.00 36.82 36.05 3lyn h ILE 73 CO 0.11 0.16 0.24 0.11 -0.69 0.00 0.00 178.15 178.08 3lyn h LYS 74 N -0.61 0.16 0.00 2.37 1.57 -1.56 0.65 116.57 119.16 3lyn h LYS 74 Ca -0.02 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3lyn h LYS 74 Cb 0.45 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.72 3lyn h LYS 74 CO 0.04 0.11 0.00 0.00 -0.57 0.00 0.00 179.45 179.03 3lyn n ALA 75 N -2.72 2.50 0.16 3.86 0.00 -0.66 -2.97 120.51 120.68 3lyn n ALA 75 Ca 0.23 -0.11 0.04 0.00 0.00 0.00 0.00 53.44 53.60 3lyn n ALA 75 Cb 0.75 -1.28 0.17 0.00 0.00 0.00 0.00 19.45 19.10 3lyn n ALA 75 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3lyn h LEU 76 N 0.00 0.00 -1.02 0.00 3.38 0.49 -3.47 115.31 114.69 3lyn h LEU 76 Ca 0.00 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.49 3lyn h LEU 76 Cb 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 3lyn h LEU 76 CO 0.00 0.46 -0.76 0.61 0.09 0.00 0.00 178.44 178.84 3lyn n GLY 77 N 0.75 -0.49 3.52 0.83 0.00 -1.16 -4.91 105.19 103.73 3lyn n GLY 77 Ca 0.01 0.19 -0.12 0.00 0.00 0.00 0.00 46.02 46.10 3lyn n GLY 77 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3lyn s ARG 78 N -6.61 0.87 -0.07 1.61 3.52 -1.26 -5.13 118.95 111.87 3lyn s ARG 78 Ca 0.64 -0.03 -0.30 0.00 -0.13 0.00 0.00 55.73 55.91 3lyn s ARG 78 Cb -0.32 0.41 -0.03 0.00 -1.56 0.00 0.00 34.95 33.44 3lyn s ARG 78 CO 0.83 -0.32 1.30 -1.25 -0.81 0.00 0.00 175.30 175.05 3lyn s PRO 79 N -2.02 4.29 0.09 5.12 0.04 -1.26 -4.92 135.00 136.33 3lyn s PRO 79 Ca -0.02 1.77 -0.31 0.00 0.04 0.00 0.00 61.00 62.48 3lyn s PRO 79 Cb -0.01 -3.65 -0.07 0.00 0.04 0.00 0.00 34.50 30.81 3lyn s PRO 79 CO -0.01 -0.58 1.35 0.00 0.04 0.00 0.00 177.00 177.80 3lyn s ALA 80 N 2.76 3.55 0.32 8.56 0.00 -1.26 -5.02 121.76 130.68 3lyn s ALA 80 Ca 0.59 1.04 0.00 0.00 0.00 0.00 0.00 51.96 53.59 3lyn s ALA 80 Cb -0.26 -3.52 -0.03 0.00 0.00 0.00 0.00 23.12 19.30 3lyn s ALA 80 CO 0.21 -0.61 0.52 0.00 0.00 0.00 0.00 175.76 175.89 3lyn s ALA 81 N 1.24 3.72 0.40 0.00 0.00 -1.26 -5.00 121.76 120.86 3lyn s ALA 81 Ca 0.63 -0.90 0.08 0.00 0.00 0.00 0.00 51.96 51.77 3lyn s ALA 81 Cb -0.35 -2.09 0.86 0.00 0.00 0.00 0.00 23.12 21.55 3lyn s ALA 81 CO 0.30 0.05 2.01 -0.24 0.00 0.00 0.00 175.76 177.87 3lyn h VAL 82 N 0.88 1.03 -0.00 0.00 3.04 -1.97 -0.63 116.25 118.60 3lyn h VAL 82 Ca -0.50 -0.20 0.00 0.00 -1.01 0.00 0.00 66.70 64.99 3lyn h VAL 82 Cb 1.22 0.39 -0.00 0.00 -2.01 0.00 0.00 31.29 30.88 3lyn h VAL 82 CO 0.62 0.11 0.02 1.23 -1.01 0.00 0.00 177.57 178.54 3lyn h GLY 83 N 0.59 0.00 0.73 3.17 0.00 -1.99 0.04 103.07 105.61 3lyn h GLY 83 Ca 0.23 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.54 3lyn h GLY 83 CO -0.07 0.00 -0.04 -0.55 0.00 0.00 0.00 176.54 175.89 3lyn h ASP 84 N 0.00 0.24 -0.92 0.19 3.32 -1.50 -2.12 116.42 115.63 3lyn h ASP 84 Ca 0.00 -0.38 0.02 0.00 0.02 0.00 0.00 57.03 56.69 3lyn h ASP 84 Cb 0.05 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 39.48 3lyn h ASP 84 CO -0.00 0.56 0.61 1.88 -1.72 0.00 0.00 179.24 180.57 3lyn h TYR 85 N -0.09 1.15 -0.35 4.55 0.05 -1.11 0.93 116.97 122.09 3lyn h TYR 85 Ca 0.03 0.03 0.05 0.00 0.05 0.00 0.00 58.73 58.89 3lyn h TYR 85 Cb 0.46 -0.39 -0.05 0.00 1.01 0.00 0.00 36.73 37.77 3lyn h TYR 85 CO 0.06 0.70 0.07 1.15 -1.05 0.00 0.00 178.16 179.08 3lyn h THR 86 N 1.22 0.82 -0.37 -2.88 2.02 -1.11 -0.38 112.91 112.22 3lyn h THR 86 Ca 0.35 -0.06 -0.11 0.00 0.77 0.00 0.00 66.41 67.36 3lyn h THR 86 Cb -0.09 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 3lyn h THR 86 CO -0.09 0.03 -0.19 0.03 0.37 0.00 0.00 175.52 175.67 3lyn h ARG 87 N 0.18 0.79 -0.39 6.66 3.08 -0.64 -1.37 114.38 122.69 3lyn h ARG 87 Ca 0.17 -0.35 -0.03 0.00 0.07 0.00 0.00 59.98 59.84 3lyn h ARG 87 Cb 0.19 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 3lyn h ARG 87 CO -0.22 0.97 0.13 -0.07 -1.07 0.00 0.00 179.97 179.72 3lyn h LEU 88 N 0.59 0.51 -0.43 3.04 3.38 -0.70 -1.30 115.31 120.40 3lyn h LEU 88 Ca 0.08 -0.06 -0.17 0.00 0.09 0.00 0.00 57.88 57.83 3lyn h LEU 88 Cb 0.74 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 3lyn h LEU 88 CO 0.06 0.48 -0.49 1.23 0.09 0.00 0.00 178.44 179.81 3lyn h GLY 89 N 0.74 0.84 1.39 0.83 0.00 -0.79 -1.86 103.07 104.21 3lyn h GLY 89 Ca 0.13 -0.93 -0.05 0.00 0.00 0.00 0.00 47.33 46.49 3lyn h GLY 89 CO -0.01 0.84 0.13 0.00 0.00 0.00 0.00 176.54 177.50 3lyn h ALA 90 N 0.84 1.27 -0.06 3.60 0.00 -0.94 -0.84 119.26 123.13 3lyn h ALA 90 Ca 0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3lyn h ALA 90 Cb 1.06 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 3lyn h ALA 90 CO 0.11 0.51 0.00 0.93 0.00 0.00 0.00 179.25 180.80 3lyn h GLU 91 N 0.75 0.11 -0.78 0.00 5.08 -1.02 -2.19 114.58 116.53 3lyn h GLU 91 Ca 0.17 -0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.58 3lyn h GLU 91 Cb 0.27 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.44 3lyn h GLU 91 CO -0.00 0.37 0.44 0.82 -1.00 0.00 0.00 179.01 179.63 3lyn h ILE 92 N -0.17 0.91 0.00 3.13 2.04 -1.16 0.17 117.51 122.43 3lyn h ILE 92 Ca 0.02 -0.26 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 3lyn h ILE 92 Cb 0.32 0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.50 3lyn h ILE 92 CO 0.00 0.14 -0.01 1.23 0.00 0.00 0.00 178.15 179.51 3lyn h GLY 93 N 0.74 0.00 0.00 5.37 0.00 -0.84 -2.25 103.07 106.09 3lyn h GLY 93 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.71 3lyn h GLY 93 CO -0.24 0.00 -1.34 -0.96 0.00 0.00 0.00 176.54 174.00 3lyn n ARG 94 N -4.25 1.02 0.00 4.80 1.85 -0.85 -3.43 116.66 115.80 3lyn n ARG 94 Ca -0.03 -0.09 0.10 0.00 -1.00 0.00 0.00 57.85 56.84 3lyn n ARG 94 Cb 0.10 -1.32 -0.07 0.00 -1.05 0.00 0.00 32.46 30.12 3lyn n ARG 94 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3lyn n ARG 95 N -1.79 0.33 -2.80 2.89 1.74 0.00 -4.83 116.66 112.20 3lyn n ARG 95 Ca -0.01 -0.27 -0.42 0.00 -0.77 0.00 0.00 57.85 56.39 3lyn n ARG 95 Cb 0.35 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.26 3lyn n ARG 95 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3lyn s VAL 96 N -2.86 4.88 -1.22 1.55 1.01 -0.88 -4.98 120.40 117.90 3lyn s VAL 96 Ca 0.11 1.86 -0.16 0.00 0.00 0.00 0.00 61.98 63.79 3lyn s VAL 96 Cb 0.17 -4.23 0.12 0.00 0.00 0.00 0.00 36.38 32.43 3lyn s VAL 96 CO 0.78 0.11 1.55 -0.62 0.00 0.00 0.00 175.10 176.92 3lyn s ASP 97 N 1.02 6.93 0.42 3.32 -1.08 -1.26 -4.72 116.67 121.30 3lyn s ASP 97 Ca 0.46 -2.65 0.23 0.00 -0.52 0.00 0.00 52.55 50.07 3lyn s ASP 97 Cb -0.19 -2.48 0.76 0.00 -1.46 0.00 0.00 42.92 39.54 3lyn s ASP 97 CO 0.20 -0.98 1.75 0.24 0.52 0.00 0.00 175.17 176.91 3lyn h MET 98 N 7.54 0.00 -0.72 4.34 2.86 -1.94 -3.14 114.93 123.86 3lyn h MET 98 Ca 0.36 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.94 3lyn h MET 98 Cb 0.89 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.52 3lyn h MET 98 CO 1.34 0.24 0.23 0.28 1.06 0.00 0.00 176.91 180.06 3lyn h VAL 99 N 0.00 1.26 -0.53 -2.22 2.07 -1.91 0.12 116.25 115.04 3lyn h VAL 99 Ca -0.00 -0.88 0.08 0.00 0.82 0.00 0.00 66.70 66.72 3lyn h VAL 99 Cb 0.86 0.47 -0.07 0.00 -1.52 0.00 0.00 31.29 31.03 3lyn h VAL 99 CO 0.03 0.35 0.16 0.15 0.02 0.00 0.00 177.57 178.27 3lyn h PHE 100 N 1.06 0.26 -0.67 1.57 3.57 -1.95 -0.37 116.94 120.40 3lyn h PHE 100 Ca 0.23 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.76 3lyn h PHE 100 Cb 0.29 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.96 3lyn h PHE 100 CO 0.02 0.05 0.43 0.35 -2.23 0.00 0.00 178.31 176.93 3lyn h PHE 101 N 0.31 0.87 -0.59 0.41 3.04 -1.19 -0.10 116.94 119.69 3lyn h PHE 101 Ca 0.26 0.01 -0.07 0.00 3.98 0.00 0.00 57.97 62.15 3lyn h PHE 101 Cb 0.32 -0.29 -0.02 0.00 2.56 0.00 0.00 35.95 38.52 3lyn h PHE 101 CO -0.19 0.57 0.09 1.88 -2.02 0.00 0.00 178.31 178.63 3lyn h TYR 102 N 0.91 1.05 -0.60 0.41 0.05 -0.26 -1.68 116.97 116.85 3lyn h TYR 102 Ca 0.24 -0.15 -0.10 0.00 0.05 0.00 0.00 58.73 58.78 3lyn h TYR 102 Cb -0.07 -0.29 -0.02 0.00 1.01 0.00 0.00 36.73 37.36 3lyn h TYR 102 CO -0.02 0.91 0.00 -0.91 -1.05 0.00 0.00 178.16 177.10 3lyn h ASN 103 N 0.89 1.04 0.20 3.88 2.35 -0.68 -0.52 115.58 122.73 3lyn h ASN 103 Ca 0.18 -0.31 -0.01 0.00 -0.55 0.00 0.00 56.30 55.61 3lyn h ASN 103 Cb 0.44 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.53 3lyn h ASN 103 CO 0.01 1.09 -0.10 0.15 -1.65 0.00 0.00 177.43 176.94 3lyn h PHE 104 N 0.96 -0.25 -0.38 1.19 3.04 -0.91 0.22 116.94 120.81 3lyn h PHE 104 Ca 0.17 -0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.16 3lyn h PHE 104 Cb 0.56 0.08 -0.04 0.00 2.56 0.00 0.00 35.95 39.11 3lyn h PHE 104 CO 0.04 0.08 0.15 1.25 -2.02 0.00 0.00 178.31 177.81 3lyn h LEU 105 N -0.59 0.17 -0.60 0.59 5.85 -1.28 0.84 115.31 120.29 3lyn h LEU 105 Ca -0.03 0.04 -0.15 0.00 0.84 0.00 0.00 57.88 58.58 3lyn h LEU 105 Cb 0.44 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 3lyn h LEU 105 CO 0.04 0.14 -0.58 0.77 -0.34 0.00 0.00 178.44 178.47 3lyn h SER 106 N 0.31 0.41 0.49 1.25 4.64 -1.11 -1.38 113.55 118.16 3lyn h SER 106 Ca 0.17 -0.23 -0.06 0.00 -0.47 0.00 0.00 61.79 61.20 3lyn h SER 106 Cb 0.14 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 3lyn h SER 106 CO -0.17 0.90 -0.31 1.23 -0.87 0.00 0.00 176.83 177.62 3lyn h GLY 107 N 1.30 0.00 -0.61 -0.77 0.00 0.02 -1.23 103.07 101.78 3lyn h GLY 107 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3lyn h GLY 107 CO 0.10 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.18 3lyn n ARG 108 N -3.84 1.66 -3.33 4.80 5.12 0.24 -4.94 116.66 116.38 3lyn n ARG 108 Ca -0.01 -0.99 -0.24 0.00 -1.93 0.00 0.00 57.85 54.68 3lyn n ARG 108 Cb 0.39 -1.42 0.05 0.00 -1.16 0.00 0.00 32.46 30.32 3lyn n ARG 108 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 3lyn n LYS 109 N 0.20 -6.01 -0.85 5.56 5.02 -0.46 -4.90 118.16 116.73 3lyn n LYS 109 Ca 0.17 0.83 0.05 0.00 -2.02 0.00 0.00 58.31 57.34 3lyn n LYS 109 Cb 0.32 -5.76 0.16 0.00 -0.02 0.00 0.00 35.03 29.73 3lyn n LYS 109 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3lyn n MET 110 N -4.43 1.28 -2.08 1.97 2.81 -0.56 -4.99 117.12 111.12 3lyn n MET 110 Ca -0.05 -3.04 -0.43 0.00 -1.81 0.00 0.00 57.70 52.38 3lyn n MET 110 Cb 0.59 -1.27 -0.03 0.00 -0.71 0.00 0.00 33.22 31.80 3lyn n MET 110 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 3lyn s ILE 111 N -2.55 3.67 0.88 2.02 1.01 -1.25 -4.95 121.20 120.03 3lyn s ILE 111 Ca 0.37 0.78 -0.10 0.00 0.00 0.00 0.00 60.65 61.70 3lyn s ILE 111 Cb 0.38 -3.60 0.12 0.00 0.01 0.00 0.00 42.46 39.37 3lyn s ILE 111 CO -0.09 -0.18 1.12 -2.16 0.00 0.00 0.00 174.94 173.63 3lyn s PRO 112 N 4.37 1.32 0.51 2.79 0.04 -1.26 -4.96 135.00 137.81 3lyn s PRO 112 Ca 0.72 1.36 -0.22 0.00 0.04 0.00 0.00 61.00 62.90 3lyn s PRO 112 Cb -0.28 -1.78 -0.06 0.00 0.04 0.00 0.00 34.50 32.42 3lyn s PRO 112 CO 0.28 -2.36 1.24 -1.25 0.04 0.00 0.00 177.00 174.96 3lyn s PRO 113 N -4.74 3.42 -0.30 0.56 0.04 -1.26 -4.90 135.00 127.82 3lyn s PRO 113 Ca 0.65 1.96 -0.29 0.00 0.04 0.00 0.00 61.00 63.36 3lyn s PRO 113 Cb -0.21 -2.28 0.00 0.00 0.04 0.00 0.00 34.50 32.05 3lyn s PRO 113 CO 0.58 -0.88 1.31 -0.47 0.04 0.00 0.00 177.00 177.58 3lyn s TYR 114 N -1.46 2.65 0.24 0.56 5.04 -1.26 -5.01 117.35 118.11 3lyn s TYR 114 Ca 0.68 0.85 0.09 0.00 -2.44 0.00 0.00 57.07 56.25 3lyn s TYR 114 Cb -0.33 -3.93 -0.04 0.00 0.35 0.00 0.00 41.96 38.00 3lyn s TYR 114 CO 0.39 -1.76 0.03 -1.12 -1.34 0.00 0.00 175.55 171.76 3lyn s SER 115 N 2.89 4.76 0.37 4.32 0.01 -1.26 -5.03 113.70 119.76 3lyn s SER 115 Ca 0.57 -0.52 0.10 0.00 1.31 0.00 0.00 55.95 57.41 3lyn s SER 115 Cb -0.17 -0.98 0.87 0.00 0.21 0.00 0.00 66.02 65.96 3lyn s SER 115 CO 0.24 0.02 1.87 0.00 0.41 0.00 0.00 173.24 175.77 3lyn h ALA 116 N 2.02 1.90 -0.04 1.44 0.00 -1.99 0.38 119.26 122.96 3lyn h ALA 116 Ca -0.46 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.42 3lyn h ALA 116 Cb 1.24 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 3lyn h ALA 116 CO 0.60 -0.14 -0.20 0.10 0.00 0.00 0.00 179.25 179.61 3lyn h TYR 117 N 0.63 0.06 -0.21 0.00 -0.00 -1.99 0.26 116.97 115.72 3lyn h TYR 117 Ca 0.44 -0.01 -0.17 0.00 0.00 0.00 0.00 58.73 59.00 3lyn h TYR 117 Cb 0.79 -0.02 0.00 0.00 0.00 0.00 0.00 36.73 37.50 3lyn h TYR 117 CO -0.00 0.26 -0.52 0.52 -0.00 0.00 0.00 178.16 178.42 3lyn h MET 118 N 0.06 0.73 -0.71 0.10 2.86 -1.34 -2.96 114.93 113.66 3lyn h MET 118 Ca 0.01 -0.50 0.02 0.00 -2.06 0.00 0.00 59.70 57.17 3lyn h MET 118 Cb 0.39 0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.08 3lyn h MET 118 CO 0.03 1.12 0.47 0.00 1.06 0.00 0.00 176.91 179.59 3lyn h ALA 119 N 0.61 1.55 -0.41 6.32 0.00 -0.78 -1.38 119.26 125.17 3lyn h ALA 119 Ca -0.00 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.87 3lyn h ALA 119 Cb 1.13 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3lyn h ALA 119 CO 0.11 0.39 0.26 -0.22 0.00 0.00 0.00 179.25 179.80 3lyn h LYS 120 N 0.90 0.52 -0.51 0.00 3.64 -0.91 -0.47 116.57 119.74 3lyn h LYS 120 Ca 0.27 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.51 3lyn h LYS 120 Cb -0.01 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 3lyn h LYS 120 CO -0.07 0.35 -0.14 1.25 -2.27 0.00 0.00 179.45 178.57 3lyn h LEU 121 N 0.54 0.99 -1.59 5.20 5.85 -1.26 -2.95 115.31 122.08 3lyn h LEU 121 Ca 0.15 -0.33 -0.04 0.00 0.84 0.00 0.00 57.88 58.50 3lyn h LEU 121 Cb -0.04 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.71 3lyn h LEU 121 CO -0.05 1.11 -0.18 0.78 -0.34 0.00 0.00 178.44 179.77 3lyn h ASN 122 N 0.87 0.00 1.44 1.25 2.35 -0.95 -2.88 115.58 117.65 3lyn h ASN 122 Ca 0.13 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 3lyn h ASN 122 Cb 0.69 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.06 3lyn h ASN 122 CO 0.05 0.18 -0.01 0.00 -1.65 0.00 0.00 177.43 176.00 3lyn n ALA 123 N -2.28 2.30 -1.79 -0.83 0.00 -0.21 -4.83 120.51 112.86 3lyn n ALA 123 Ca -0.01 -0.03 -0.34 0.00 0.00 0.00 0.00 53.44 53.05 3lyn n ALA 123 Cb 0.32 -1.47 -0.03 0.00 0.00 0.00 0.00 19.45 18.27 3lyn n ALA 123 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3lyn s LEU 124 N -4.42 3.85 0.53 0.00 1.43 -1.09 -5.01 118.68 113.96 3lyn s LEU 124 Ca 0.11 1.98 -0.22 0.00 -1.03 0.00 0.00 54.13 54.97 3lyn s LEU 124 Cb 0.13 -4.54 -0.05 0.00 0.03 0.00 0.00 46.19 41.75 3lyn s LEU 124 CO 0.59 -0.83 1.29 -0.13 0.23 0.00 0.00 176.35 177.51 3lyn s ARG 125 N -3.19 3.29 0.36 1.70 0.52 -1.26 -4.88 118.95 115.49 3lyn s ARG 125 Ca 0.68 2.08 0.10 0.00 -0.52 0.00 0.00 55.73 58.06 3lyn s ARG 125 Cb -0.18 -2.27 0.84 0.00 0.52 0.00 0.00 34.95 33.86 3lyn s ARG 125 CO 0.21 -1.02 1.85 -1.35 0.02 0.00 0.00 175.30 175.02 3lyn h PRO 126 N 1.58 0.65 -0.04 3.54 0.11 -1.95 0.14 132.00 136.03 3lyn h PRO 126 Ca -0.50 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.58 3lyn h PRO 126 Cb 1.29 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 3lyn h PRO 126 CO 0.58 0.43 0.03 0.00 -0.21 0.00 0.00 178.00 178.83 3lyn h ALA 127 N 1.60 1.74 -0.02 -0.75 0.00 -1.91 -2.35 119.26 117.57 3lyn h ALA 127 Ca 0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.38 3lyn h ALA 127 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3lyn h ALA 127 CO -0.23 -0.05 -0.09 -0.25 0.00 0.00 0.00 179.25 178.63 3lyn n ASP 128 N -4.08 2.35 -4.68 0.00 8.00 0.02 -4.82 116.55 113.34 3lyn n ASP 128 Ca -0.02 -1.73 -0.45 0.00 0.71 0.00 0.00 54.79 53.30 3lyn n ASP 128 Cb 0.13 0.09 -0.04 0.00 -0.02 0.00 0.00 41.12 41.27 3lyn n ASP 128 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3lyn n VAL 129 N 0.71 0.37 -2.41 2.53 0.31 -0.89 -4.85 118.33 114.12 3lyn n VAL 129 Ca 0.14 -0.07 -0.41 0.00 -0.01 0.00 0.00 64.34 63.99 3lyn n VAL 129 Cb 0.50 -1.89 -0.03 0.00 -0.91 0.00 0.00 33.84 31.51 3lyn n VAL 129 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 3lyn s PRO 130 N 2.85 4.48 0.18 5.55 0.02 -1.26 -5.02 135.00 141.80 3lyn s PRO 130 Ca 0.85 1.82 0.07 0.00 0.02 0.00 0.00 61.00 63.76 3lyn s PRO 130 Cb -0.61 -3.29 -0.05 0.00 0.02 0.00 0.00 34.50 30.58 3lyn s PRO 130 CO 0.43 -0.14 -0.13 0.14 -0.33 0.00 0.00 177.00 176.97 3lyn s VAL 131 N 0.39 1.55 -0.47 3.83 -7.23 -1.26 -4.85 120.40 112.35 3lyn s VAL 131 Ca 0.55 -2.15 0.04 0.00 -1.81 0.00 0.00 61.98 58.61 3lyn s VAL 131 Cb -0.31 -1.96 0.03 0.00 0.56 0.00 0.00 36.38 34.70 3lyn s VAL 131 CO 0.33 -0.63 0.62 0.29 -0.31 0.00 0.00 175.10 175.40