#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jby s SER 3 N 0.00 3.92 0.26 7.83 1.04 -1.26 -4.80 113.70 120.69 2jby s SER 3 Ca 0.00 1.31 -0.05 0.00 0.48 0.00 0.00 55.95 57.69 2jby s SER 3 Cb 0.00 -2.00 0.30 0.00 0.10 0.00 0.00 66.02 64.42 2jby s SER 3 CO 0.00 -2.33 1.91 -0.09 0.98 0.00 0.00 173.24 173.70 2jby h ARG 4 N -1.34 1.20 -0.06 4.02 2.43 -2.04 -2.14 114.38 116.45 2jby h ARG 4 Ca -0.49 -0.11 -0.00 0.00 -0.81 0.00 0.00 59.98 58.57 2jby h ARG 4 Cb 1.29 -0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 30.58 2jby h ARG 4 CO 0.58 0.84 0.03 1.25 -1.51 0.00 0.00 179.97 181.17 2jby h LEU 5 N 1.22 0.07 0.22 3.80 5.85 -1.99 -2.55 115.31 121.94 2jby h LEU 5 Ca 0.32 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.97 2jby h LEU 5 Cb -0.05 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 2jby h LEU 5 CO -0.06 0.12 -0.18 0.50 -0.34 0.00 0.00 178.44 178.47 2jby h LYS 6 N 0.02 -0.40 -0.88 1.25 3.64 -1.91 -2.04 116.57 116.25 2jby h LYS 6 Ca 0.02 0.03 0.22 0.00 -1.27 0.00 0.00 60.65 59.65 2jby h LYS 6 Cb 0.06 0.09 -0.13 0.00 -0.41 0.00 0.00 32.23 31.84 2jby h LYS 6 CO -0.00 -0.27 0.32 1.15 -2.27 0.00 0.00 179.45 178.38 2jby h THR 7 N -0.42 0.41 0.00 1.00 2.02 -1.45 -2.11 112.91 112.36 2jby h THR 7 Ca -0.01 -0.11 -0.09 0.00 0.77 0.00 0.00 66.41 66.98 2jby h THR 7 Cb 0.38 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 2jby h THR 7 CO -0.02 0.06 -0.42 0.00 0.37 0.00 0.00 175.52 175.51 2jby h ALA 8 N 1.73 1.28 -0.08 6.16 0.00 -1.03 -1.64 119.26 125.69 2jby h ALA 8 Ca 0.55 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 2jby h ALA 8 Cb 1.08 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2jby h ALA 8 CO -0.58 0.52 -0.22 0.28 0.00 0.00 0.00 179.25 179.25 2jby h VAL 9 N 0.00 1.42 -0.19 0.00 2.07 -0.74 -1.00 116.25 117.80 2jby h VAL 9 Ca -0.00 -1.57 0.00 0.00 0.82 0.00 0.00 66.70 65.95 2jby h VAL 9 Cb 0.75 2.24 -0.01 0.00 -1.52 0.00 0.00 31.29 32.75 2jby h VAL 9 CO 0.05 0.45 0.13 1.88 0.02 0.00 0.00 177.57 180.10 2jby h TYR 10 N -0.20 0.24 -0.80 1.57 0.05 -1.42 0.32 116.97 116.73 2jby h TYR 10 Ca -0.01 0.01 0.04 0.00 0.05 0.00 0.00 58.73 58.82 2jby h TYR 10 Cb 0.83 -0.08 -0.05 0.00 1.01 0.00 0.00 36.73 38.44 2jby h TYR 10 CO 0.12 0.16 0.51 -0.44 -1.05 0.00 0.00 178.16 177.46 2jby h ASP 11 N 0.26 0.83 0.37 3.88 3.32 -1.25 -1.65 116.42 122.19 2jby h ASP 11 Ca 0.07 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 2jby h ASP 11 Cb -0.03 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.35 2jby h ASP 11 CO -0.02 0.57 -0.18 0.22 -1.72 0.00 0.00 179.24 178.12 2jby h TYR 12 N 0.98 -0.46 -1.36 4.55 3.20 -0.82 -1.60 116.97 121.46 2jby h TYR 12 Ca 0.32 -0.01 0.40 0.00 3.14 0.00 0.00 58.73 62.58 2jby h TYR 12 Cb 0.03 0.15 -0.06 0.00 1.54 0.00 0.00 36.73 38.40 2jby h TYR 12 CO -0.03 -0.13 0.98 -0.07 -1.64 0.00 0.00 178.16 177.27 2jby h LEU 13 N -0.92 0.01 -4.50 2.82 3.38 -0.12 0.10 115.31 116.08 2jby h LEU 13 Ca -0.05 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.29 2jby h LEU 13 Cb 0.54 0.00 -0.37 0.00 0.09 0.00 0.00 40.66 40.91 2jby h LEU 13 CO 0.08 -0.00 -0.17 -0.46 0.09 0.00 0.00 178.44 177.98 2jby n ASN 14 N -4.14 5.67 -0.00 -0.43 0.23 -0.64 -4.79 115.26 111.15 2jby n ASN 14 Ca 0.30 -3.76 0.00 0.00 -0.53 0.00 0.00 54.58 50.59 2jby n ASN 14 Cb 1.42 -0.63 0.00 0.00 -2.08 0.00 0.00 39.78 38.48 2jby n ASN 14 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 2jby n ASP 15 N -0.56 0.00 0.22 0.53 5.75 0.35 -4.78 116.55 118.06 2jby n ASP 15 Ca 0.45 0.00 0.09 0.00 -0.01 0.00 0.00 54.79 55.33 2jby n ASP 15 Cb 0.59 0.00 0.44 0.00 -1.03 0.00 0.00 41.12 41.12 2jby n ASP 15 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 2jby h VAL 16 N 0.00 0.58 -2.40 2.12 2.07 -1.53 -3.49 116.25 113.61 2jby h VAL 16 Ca 0.00 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 66.35 2jby h VAL 16 Cb 0.00 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 2jby h VAL 16 CO 0.00 0.24 0.00 0.47 0.02 0.00 0.00 177.57 178.30 2jby n ASP 17 N -3.40 -1.60 -4.67 0.57 9.92 -1.26 -4.98 116.55 111.13 2jby n ASP 17 Ca 0.00 0.00 -0.46 0.00 -0.53 0.00 0.00 54.79 53.80 2jby n ASP 17 Cb 0.44 -0.80 -0.04 0.00 -0.64 0.00 0.00 41.12 40.08 2jby n ASP 17 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jby n ILE 18 N 0.18 0.64 -4.16 0.53 0.00 -1.26 -5.01 119.36 110.27 2jby n ILE 18 Ca 0.00 -0.11 -0.26 0.00 0.00 0.00 0.00 62.75 62.38 2jby n ILE 18 Cb 0.00 -2.04 -0.07 0.00 0.00 0.00 0.00 39.64 37.53 2jby n ILE 18 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 2jby s THR 19 N 4.14 4.02 -0.47 9.51 -4.23 -1.26 -4.87 115.64 122.47 2jby s THR 19 Ca 0.91 -1.36 -0.19 0.00 -1.18 0.00 0.00 61.69 59.87 2jby s THR 19 Cb -0.59 -3.06 0.03 0.00 1.34 0.00 0.00 72.50 70.21 2jby s THR 19 CO 0.48 -0.16 0.62 -0.62 -0.54 0.00 0.00 174.62 174.40 2jby n GLU 20 N -0.39 -2.18 -3.49 3.99 1.02 -1.26 -4.96 120.64 113.37 2jby n GLU 20 Ca -0.09 1.90 -0.37 0.00 -0.02 0.00 0.00 57.16 58.58 2jby n GLU 20 Cb 0.56 -4.89 -0.06 0.00 -0.02 0.00 0.00 31.44 27.03 2jby n GLU 20 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2jby s THR 22 N -0.05 1.91 0.37 0.00 2.01 -1.26 -5.00 115.64 113.63 2jby s THR 22 Ca 0.21 -2.04 0.26 0.00 0.31 0.00 0.00 61.69 60.43 2jby s THR 22 Cb -0.15 -1.95 0.27 0.00 0.01 0.00 0.00 72.50 70.68 2jby s THR 22 CO 0.08 -0.37 2.02 1.05 -0.69 0.00 0.00 174.62 176.72 2jby h GLU 23 N 3.00 0.00 -0.55 4.92 9.09 -2.04 -2.30 114.58 126.70 2jby h GLU 23 Ca -0.41 0.00 -0.25 0.00 0.05 0.00 0.00 59.36 58.74 2jby h GLU 23 Cb 1.22 0.00 -0.15 0.00 -1.65 0.00 0.00 28.75 28.16 2jby h GLU 23 CO 0.54 0.15 0.16 0.00 0.05 0.00 0.00 179.01 179.91 2jby n MET 24 N -3.64 2.27 -2.69 1.06 0.00 -1.26 -4.89 117.12 107.96 2jby n MET 24 Ca -0.02 -3.09 -0.43 0.00 0.00 0.00 0.00 57.70 54.16 2jby n MET 24 Cb 0.27 -1.96 -0.02 0.00 0.00 0.00 0.00 33.22 31.51 2jby n MET 24 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 2jby s ASP 25 N -1.99 7.01 0.07 3.17 2.15 -0.87 -4.97 116.67 121.25 2jby s ASP 25 Ca 0.49 1.23 -0.21 0.00 0.43 0.00 0.00 52.55 54.48 2jby s ASP 25 Cb 0.42 -2.52 -0.12 0.00 -0.30 0.00 0.00 42.92 40.40 2jby s ASP 25 CO 0.05 -0.70 1.57 -0.07 -0.17 0.00 0.00 175.17 175.85 2jby h LEU 26 N 9.58 0.20 0.10 -1.34 4.07 -1.91 -0.70 115.31 125.30 2jby h LEU 26 Ca -0.20 -0.21 0.01 0.00 0.08 0.00 0.00 57.88 57.56 2jby h LEU 26 Cb 1.07 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 42.73 2jby h LEU 26 CO 0.98 0.36 -0.18 0.25 -1.08 0.00 0.00 178.44 178.77 2jby h LEU 27 N 0.03 -0.49 -0.23 1.67 5.85 -1.92 0.31 115.31 120.53 2jby h LEU 27 Ca 0.04 0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.86 2jby h LEU 27 Cb 0.23 0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.41 2jby h LEU 27 CO -0.00 -0.25 -0.03 0.00 -0.34 0.00 0.00 178.44 177.81 2jby h GLN 29 N 0.03 0.00 -0.03 0.00 1.08 -0.93 0.19 115.11 115.45 2jby h GLN 29 Ca 0.11 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.30 2jby h GLN 29 Cb 0.16 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.58 2jby h GLN 29 CO -0.21 0.49 -0.02 1.25 -0.95 0.00 0.00 178.83 179.39 2jby h LEU 30 N 0.00 0.08 -0.58 1.46 5.85 -0.01 -1.66 115.31 120.45 2jby h LEU 30 Ca -0.00 -0.45 0.08 0.00 0.84 0.00 0.00 57.88 58.35 2jby h LEU 30 Cb 0.94 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.88 2jby h LEU 30 CO 0.06 0.51 0.21 -1.28 -0.34 0.00 0.00 178.44 177.61 2jby h SER 31 N -0.35 0.22 -0.58 1.25 0.87 -0.25 -1.97 113.55 112.73 2jby h SER 31 Ca 0.01 0.07 -0.07 0.00 -1.23 0.00 0.00 61.79 60.57 2jby h SER 31 Cb 0.48 0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.47 2jby h SER 31 CO 0.01 0.14 0.10 0.78 -0.53 0.00 0.00 176.83 177.33 2jby h ASN 32 N 0.40 0.95 -0.52 6.23 2.35 -0.56 -2.41 115.58 122.02 2jby h ASN 32 Ca 0.29 -0.21 -0.05 0.00 -0.55 0.00 0.00 56.30 55.77 2jby h ASN 32 Cb 0.33 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 2jby h ASN 32 CO -0.28 0.94 0.12 0.00 -1.65 0.00 0.00 177.43 176.56 2jby h ASP 35 N 0.70 1.04 -0.04 0.00 3.45 -1.46 0.35 116.42 120.47 2jby h ASP 35 Ca 0.09 -0.05 -0.01 0.00 0.43 0.00 0.00 57.03 57.50 2jby h ASP 35 Cb 0.79 -0.26 -0.00 0.00 -0.56 0.00 0.00 39.33 39.29 2jby h ASP 35 CO 0.06 0.78 0.00 0.15 -1.57 0.00 0.00 179.24 178.66 2jby h PHE 36 N 1.21 0.07 -0.90 4.55 3.04 -1.20 -2.16 116.94 121.54 2jby h PHE 36 Ca 0.32 -0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.28 2jby h PHE 36 Cb -0.10 -0.02 -0.05 0.00 2.56 0.00 0.00 35.95 38.34 2jby h PHE 36 CO -0.00 0.35 0.59 0.82 -2.02 0.00 0.00 178.31 178.05 2jby h ILE 37 N -0.23 1.19 -0.07 1.41 2.04 -1.01 -1.15 117.51 119.68 2jby h ILE 37 Ca 0.01 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.47 2jby h ILE 37 Cb 0.33 -0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.31 2jby h ILE 37 CO 0.00 0.22 0.04 -1.13 0.00 0.00 0.00 178.15 177.28 2jby h ASN 38 N 1.18 0.08 -0.11 1.72 -1.24 -0.89 -1.59 115.58 114.73 2jby h ASN 38 Ca 0.35 -0.00 -0.03 0.00 0.71 0.00 0.00 56.30 57.33 2jby h ASN 38 Cb -0.07 -0.02 -0.00 0.00 0.73 0.00 0.00 38.32 38.96 2jby h ASN 38 CO -0.10 0.06 -0.04 -0.33 -1.29 0.00 0.00 177.43 175.73 2jby h GLU 39 N 0.09 0.22 0.00 6.67 4.39 -1.20 -2.31 114.58 122.44 2jby h GLU 39 Ca 0.03 -0.09 -0.05 0.00 0.34 0.00 0.00 59.36 59.59 2jby h GLU 39 Cb -0.01 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 2jby h GLU 39 CO -0.01 0.54 -0.24 0.00 -1.16 0.00 0.00 179.01 178.14 2jby h THR 40 N -0.12 0.88 -0.65 1.13 1.03 -1.22 -3.17 112.91 110.79 2jby h THR 40 Ca 0.03 -0.93 -0.45 0.00 -0.01 0.00 0.00 66.41 65.04 2jby h THR 40 Cb 0.47 1.55 -0.30 0.00 -1.07 0.00 0.00 68.15 68.79 2jby h THR 40 CO 0.01 0.24 -0.30 -1.22 -0.01 0.00 0.00 175.52 174.24 2jby n TYR 41 N -3.83 2.27 -0.01 0.00 4.02 -0.60 -4.84 117.16 114.17 2jby n TYR 41 Ca -0.02 -2.19 -0.10 0.00 -0.01 0.00 0.00 57.90 55.59 2jby n TYR 41 Cb 0.34 -0.58 -0.03 0.00 -0.02 0.00 0.00 39.34 39.04 2jby n TYR 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2jby h ALA 42 N 1.79 -0.25 -0.85 -0.72 0.00 -1.39 -1.94 119.26 115.90 2jby h ALA 42 Ca 0.36 0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.40 2jby h ALA 42 Cb 1.39 0.53 -0.07 0.00 0.00 0.00 0.00 17.79 19.64 2jby h ALA 42 CO 0.78 -0.73 0.50 1.57 0.00 0.00 0.00 179.25 181.37 2jby h LYS 43 N -0.32 0.82 -0.62 0.00 2.10 -1.88 0.30 116.57 116.96 2jby h LYS 43 Ca 0.11 -0.05 0.02 0.00 -2.00 0.00 0.00 60.65 58.73 2jby h LYS 43 Cb 0.49 -0.19 -0.03 0.00 -0.90 0.00 0.00 32.23 31.60 2jby h LYS 43 CO -0.35 0.54 0.40 -0.91 -2.00 0.00 0.00 179.45 177.13 2jby h ASN 44 N 0.85 0.67 0.12 7.07 4.21 -1.85 -0.89 115.58 125.76 2jby h ASN 44 Ca 0.40 -0.01 -0.07 0.00 1.21 0.00 0.00 56.30 57.83 2jby h ASN 44 Cb 0.33 -0.16 -0.01 0.00 -1.12 0.00 0.00 38.32 37.36 2jby h ASN 44 CO -0.23 0.48 -0.24 1.88 -1.29 0.00 0.00 177.43 178.03 2jby h TYR 45 N 0.80 0.23 0.12 1.19 -1.99 -0.56 -0.82 116.97 115.95 2jby h TYR 45 Ca 0.24 -0.04 0.01 0.00 2.00 0.00 0.00 58.73 60.94 2jby h TYR 45 Cb -0.04 -0.06 -0.03 0.00 2.00 0.00 0.00 36.73 38.60 2jby h TYR 45 CO -0.04 0.44 -0.20 -0.44 -0.00 0.00 0.00 178.16 177.92 2jby h ASP 46 N 0.20 -0.57 -0.08 3.88 3.45 -0.08 0.20 116.42 123.41 2jby h ASP 46 Ca 0.03 0.06 0.04 0.00 0.43 0.00 0.00 57.03 57.60 2jby h ASP 46 Cb 0.53 0.21 -0.05 0.00 -0.56 0.00 0.00 39.33 39.47 2jby h ASP 46 CO 0.04 -0.29 -0.21 0.74 -1.57 0.00 0.00 179.24 177.95 2jby h THR 47 N -0.40 0.49 -0.84 0.35 2.02 -1.07 -2.39 112.91 111.09 2jby h THR 47 Ca 0.02 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.32 2jby h THR 47 Cb 0.41 0.49 -0.08 0.00 -1.74 0.00 0.00 68.15 67.23 2jby h THR 47 CO -0.10 0.00 0.46 -0.07 0.37 0.00 0.00 175.52 176.18 2jby h LEU 48 N -0.29 0.63 -0.77 2.58 3.38 -0.96 -0.47 115.31 119.41 2jby h LEU 48 Ca 0.08 0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.13 2jby h LEU 48 Cb 0.41 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 2jby h LEU 48 CO -0.25 0.33 0.51 0.22 0.09 0.00 0.00 178.44 179.34 2jby h TYR 49 N 0.73 0.96 -0.63 1.13 5.03 -0.40 -2.71 116.97 121.09 2jby h TYR 49 Ca 0.42 0.02 0.02 0.00 2.58 0.00 0.00 58.73 61.78 2jby h TYR 49 Cb 0.48 -0.32 -0.03 0.00 1.55 0.00 0.00 36.73 38.40 2jby h TYR 49 CO -0.07 0.60 0.42 -0.44 -1.32 0.00 0.00 178.16 177.34 2jby h ASP 50 N 1.03 0.67 0.81 -2.11 3.45 -0.61 0.21 116.42 119.88 2jby h ASP 50 Ca 0.28 -0.01 -0.14 0.00 0.43 0.00 0.00 57.03 57.59 2jby h ASP 50 Cb -0.11 -0.16 -0.02 0.00 -0.56 0.00 0.00 39.33 38.48 2jby h ASP 50 CO -0.07 0.48 -0.67 0.40 -1.57 0.00 0.00 179.24 177.81 2jby h ILE 51 N 0.79 1.38 -0.09 0.35 2.04 -1.00 -3.34 117.51 117.64 2jby h ILE 51 Ca 0.24 -2.36 0.00 0.00 1.00 0.00 0.00 64.86 63.75 2jby h ILE 51 Cb 0.00 2.30 0.00 0.00 -0.74 0.00 0.00 36.82 38.39 2jby h ILE 51 CO -0.06 0.65 0.00 0.23 0.00 0.00 0.00 178.15 178.97 2jby n MET 52 N -3.60 1.19 0.09 2.37 2.81 -0.79 -4.70 117.12 114.48 2jby n MET 52 Ca -0.00 -1.44 -0.12 0.00 -1.81 0.00 0.00 57.70 54.33 2jby n MET 52 Cb 0.69 -1.26 -0.06 0.00 -0.71 0.00 0.00 33.22 31.88 2jby n MET 52 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 2jby h GLU 53 N 2.49 -0.23 -0.95 0.03 4.81 -1.11 0.33 114.58 119.95 2jby h GLU 53 Ca 0.00 0.02 0.17 0.00 -0.13 0.00 0.00 59.36 59.41 2jby h GLU 53 Cb 0.58 0.05 -0.17 0.00 0.63 0.00 0.00 28.75 29.85 2jby h GLU 53 CO 0.00 -0.15 -0.32 0.00 -0.73 0.00 0.00 179.01 177.81 2jby h ARG 54 N -0.24 -0.01 -0.07 1.92 3.08 -1.86 0.95 114.38 118.14 2jby h ARG 54 Ca 0.02 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.96 2jby h ARG 54 Cb 0.25 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 2jby h ARG 54 CO -0.06 -0.01 -0.42 -0.44 -1.07 0.00 0.00 179.97 177.98 2jby h ASP 55 N -0.01 0.16 0.00 7.04 3.32 -1.43 -2.30 116.42 123.20 2jby h ASP 55 Ca 0.39 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.35 2jby h ASP 55 Cb 0.64 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.14 2jby h ASP 55 CO -0.97 0.57 -0.10 0.40 -1.72 0.00 0.00 179.24 177.43 2jby h ILE 56 N 0.13 1.61 -0.81 0.35 2.04 0.35 0.16 117.51 121.34 2jby h ILE 56 Ca 0.01 -2.25 0.14 0.00 1.00 0.00 0.00 64.86 63.76 2jby h ILE 56 Cb 0.80 3.09 -0.06 0.00 -0.74 0.00 0.00 36.82 39.91 2jby h ILE 56 CO 0.06 0.55 0.53 -0.07 0.00 0.00 0.00 178.15 179.22 2jby h LEU 57 N -1.00 0.53 -0.27 1.44 4.07 0.83 0.13 115.31 121.03 2jby h LEU 57 Ca -0.03 0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2jby h LEU 57 Cb 0.96 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.62 2jby h LEU 57 CO -0.02 0.28 -0.12 -1.54 -1.08 0.00 0.00 178.44 175.96 2jby n SER 58 N -4.52 0.55 -3.47 -0.43 3.41 -0.87 -4.95 113.62 103.34 2jby n SER 58 Ca 0.15 -0.64 -0.22 0.00 -0.26 0.00 0.00 58.87 57.90 2jby n SER 58 Cb 0.48 -0.05 0.05 0.00 -0.26 0.00 0.00 64.21 64.43 2jby n SER 58 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jby n TYR 59 N -0.89 -2.22 -3.29 7.33 9.36 0.46 -4.93 117.16 122.98 2jby n TYR 59 Ca 0.14 0.67 -0.38 0.00 3.32 0.00 0.00 57.90 61.65 2jby n TYR 59 Cb 0.28 -3.73 -0.03 0.00 -0.63 0.00 0.00 39.34 35.24 2jby n TYR 59 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 2jby n ASN 60 N -2.81 5.23 -0.16 2.98 2.85 0.55 -4.89 115.26 119.01 2jby n ASN 60 Ca -0.08 -3.30 -0.03 0.00 -0.11 0.00 0.00 54.58 51.06 2jby n ASN 60 Cb 0.60 -1.11 0.05 0.00 1.24 0.00 0.00 39.78 40.56 2jby n ASN 60 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 2jby h ILE 61 N 3.55 0.57 -0.12 -1.44 1.08 -1.92 -1.95 117.51 117.28 2jby h ILE 61 Ca 0.19 -0.02 -0.01 0.00 -0.39 0.00 0.00 64.86 64.62 2jby h ILE 61 Cb 0.71 0.50 -0.00 0.00 -3.07 0.00 0.00 36.82 34.95 2jby h ILE 61 CO 1.07 0.01 0.02 0.58 -0.69 0.00 0.00 178.15 179.14 2jby h VAL 62 N 0.07 1.22 -0.02 1.67 2.07 -1.97 0.28 116.25 119.57 2jby h VAL 62 Ca 0.25 -0.71 0.02 0.00 0.82 0.00 0.00 66.70 67.08 2jby h VAL 62 Cb 0.38 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 2jby h VAL 62 CO -0.45 0.21 -0.11 -1.13 0.02 0.00 0.00 177.57 176.10 2jby h ASN 63 N -0.03 -0.32 -0.92 0.57 -1.24 -1.97 -0.58 115.58 111.08 2jby h ASN 63 Ca 0.04 0.05 0.15 0.00 0.71 0.00 0.00 56.30 57.24 2jby h ASN 63 Cb 0.30 0.14 -0.09 0.00 0.73 0.00 0.00 38.32 39.40 2jby h ASN 63 CO 0.00 -0.16 0.53 0.40 -1.29 0.00 0.00 177.43 176.91 2jby h ILE 64 N -0.18 0.79 -0.19 2.57 2.04 -0.94 0.30 117.51 121.89 2jby h ILE 64 Ca 0.05 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 2jby h ILE 64 Cb 0.24 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.27 2jby h ILE 64 CO -0.12 0.14 0.03 0.11 0.00 0.00 0.00 178.15 178.31 2jby h LYS 65 N 0.76 0.32 -0.32 2.37 1.57 0.11 -2.50 116.57 118.88 2jby h LYS 65 Ca 0.49 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 59.17 2jby h LYS 65 Cb 0.65 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 2jby h LYS 65 CO -0.33 0.47 0.13 -0.91 -0.57 0.00 0.00 179.45 178.24 2jby h ASN 66 N 0.11 0.44 -0.68 0.86 2.35 -0.35 -1.22 115.58 117.09 2jby h ASN 66 Ca 0.06 -0.16 0.15 0.00 -0.55 0.00 0.00 56.30 55.79 2jby h ASN 66 Cb 0.31 -0.11 -0.12 0.00 0.05 0.00 0.00 38.32 38.44 2jby h ASN 66 CO 0.00 0.48 -0.07 0.74 -1.65 0.00 0.00 177.43 176.94 2jby h THR 67 N 0.37 0.37 -0.02 2.81 2.02 -0.38 -0.77 112.91 117.31 2jby h THR 67 Ca 0.11 -0.02 -0.19 0.00 0.77 0.00 0.00 66.41 67.08 2jby h THR 67 Cb 0.18 0.31 0.01 0.00 -1.74 0.00 0.00 68.15 66.91 2jby h THR 67 CO -0.01 0.01 -0.71 -0.07 0.37 0.00 0.00 175.52 175.11 2jby h LEU 68 N 0.06 0.66 -0.35 2.58 3.38 -1.19 -1.97 115.31 118.49 2jby h LEU 68 Ca 0.35 -0.73 0.03 0.00 0.09 0.00 0.00 57.88 57.62 2jby h LEU 68 Cb 0.58 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 2jby h LEU 68 CO -0.64 1.30 0.15 0.74 0.09 0.00 0.00 178.44 180.08 2jby h THR 69 N 0.08 0.95 -0.19 0.22 2.02 -1.18 0.75 112.91 115.56 2jby h THR 69 Ca -0.08 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 66.99 2jby h THR 69 Cb 1.40 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 68.40 2jby h THR 69 CO 0.14 0.06 0.12 0.15 0.37 0.00 0.00 175.52 176.36 2jby h PHE 70 N 0.32 0.24 -0.88 3.16 3.04 -1.18 -1.62 116.94 120.01 2jby h PHE 70 Ca 0.15 0.00 0.23 0.00 3.98 0.00 0.00 57.97 62.33 2jby h PHE 70 Cb 0.09 -0.08 -0.05 0.00 2.56 0.00 0.00 35.95 38.46 2jby h PHE 70 CO -0.12 0.16 0.61 0.00 -2.02 0.00 0.00 178.31 176.94 2jby h ALA 71 N 1.06 2.50 -0.00 2.41 0.00 -1.01 -1.85 119.26 122.36 2jby h ALA 71 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2jby h ALA 71 Cb -0.02 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2jby h ALA 71 CO -0.01 -0.77 -0.04 1.28 0.00 0.00 0.00 179.25 179.71 2jby n LEU 72 N -4.40 0.05 0.02 0.00 4.77 0.23 -4.57 117.00 113.09 2jby n LEU 72 Ca 0.19 0.42 -0.02 0.00 -0.03 0.00 0.00 56.01 56.57 2jby n LEU 72 Cb 0.81 -0.44 -0.01 0.00 -2.33 0.00 0.00 43.42 41.45 2jby n LEU 72 CO 0.34 0.01 0.50 0.03 -1.33 0.00 0.00 177.39 176.95 2jby h ARG 73 N 0.01 -0.11 -0.08 3.23 3.08 -1.17 -1.84 114.38 117.50 2jby h ARG 73 Ca 0.00 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2jby h ARG 73 Cb 0.46 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.54 2jby h ARG 73 CO 0.00 -0.07 0.00 -0.40 -1.07 0.00 0.00 179.97 178.43 2jby n ASP 74 N -2.76 0.52 -4.70 7.04 5.75 -1.26 -5.00 116.55 116.14 2jby n ASP 74 Ca -0.01 -1.81 -0.39 0.00 -0.01 0.00 0.00 54.79 52.56 2jby n ASP 74 Cb 0.06 -0.05 0.03 0.00 -1.03 0.00 0.00 41.12 40.12 2jby n ASP 74 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jby n ALA 75 N -0.30 1.17 -2.30 2.12 0.00 -0.69 -5.02 120.51 115.48 2jby n ALA 75 Ca 0.08 0.16 -0.25 0.00 0.00 0.00 0.00 53.44 53.43 2jby n ALA 75 Cb 0.11 -2.27 0.01 0.00 0.00 0.00 0.00 19.45 17.30 2jby n ALA 75 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2jby s SER 76 N -0.81 5.96 0.53 0.00 1.04 -1.26 -4.90 113.70 114.25 2jby s SER 76 Ca 0.68 0.60 0.30 0.00 0.48 0.00 0.00 55.95 58.01 2jby s SER 76 Cb -0.46 -1.85 1.45 0.00 0.10 0.00 0.00 66.02 65.26 2jby s SER 76 CO 0.53 -0.70 1.89 -0.65 0.98 0.00 0.00 173.24 175.29 2jby h PRO 77 N 0.25 0.03 0.00 4.02 0.11 -1.95 -1.74 132.00 132.72 2jby h PRO 77 Ca -0.47 -0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.48 2jby h PRO 77 Cb 1.24 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 2jby h PRO 77 CO 0.60 0.02 -0.79 0.66 -0.21 0.00 0.00 178.00 178.28 2jby h SER 78 N 0.03 0.00 -0.08 -2.05 4.64 -1.95 -1.54 113.55 112.59 2jby h SER 78 Ca 0.42 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.55 2jby h SER 78 Cb 1.62 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.72 2jby h SER 78 CO -0.02 0.77 -0.69 0.58 -0.87 0.00 0.00 176.83 176.61 2jby h VAL 79 N 0.00 1.34 -0.80 0.95 2.07 -1.79 -0.29 116.25 117.73 2jby h VAL 79 Ca -0.01 -1.98 0.11 0.00 0.82 0.00 0.00 66.70 65.63 2jby h VAL 79 Cb 1.60 2.23 -0.08 0.00 -1.52 0.00 0.00 31.29 33.53 2jby h VAL 79 CO 0.10 0.60 0.43 0.11 0.02 0.00 0.00 177.57 178.84 2jby h LYS 80 N 0.25 0.68 -0.01 1.57 1.57 -1.26 0.30 116.57 119.67 2jby h LYS 80 Ca -0.06 -0.04 -0.21 0.00 -1.87 0.00 0.00 60.65 58.47 2jby h LYS 80 Cb 1.34 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 33.50 2jby h LYS 80 CO 0.14 0.45 -0.89 -0.07 -0.57 0.00 0.00 179.45 178.52 2jby h LEU 81 N 0.70 0.43 -1.44 2.94 3.38 -1.34 -0.95 115.31 119.03 2jby h LEU 81 Ca 0.40 -0.34 0.12 0.00 0.09 0.00 0.00 57.88 58.15 2jby h LEU 81 Cb 0.43 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 2jby h LEU 81 CO -0.28 1.13 0.51 0.00 0.09 0.00 0.00 178.44 179.88 2jby h ALA 82 N 0.85 1.91 0.01 1.53 0.00 -0.42 -1.98 119.26 121.15 2jby h ALA 82 Ca -0.06 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 2jby h ALA 82 Cb 1.51 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 19.19 2jby h ALA 82 CO 0.15 -0.09 -0.32 1.15 0.00 0.00 0.00 179.25 180.14 2jby h THR 83 N 0.59 1.54 -0.66 0.00 2.02 -0.23 -2.14 112.91 114.03 2jby h THR 83 Ca 0.37 -2.02 -0.00 0.00 0.77 0.00 0.00 66.41 65.53 2jby h THR 83 Cb 0.62 2.80 -0.03 0.00 -1.74 0.00 0.00 68.15 69.80 2jby h THR 83 CO -0.14 0.56 0.41 0.25 0.37 0.00 0.00 175.52 176.98 2jby h LEU 84 N -0.47 0.78 -0.64 2.58 5.85 -1.08 0.75 115.31 123.09 2jby h LEU 84 Ca -0.04 -0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.55 2jby h LEU 84 Cb 1.09 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 2jby h LEU 84 CO 0.06 0.59 0.05 0.74 -0.34 0.00 0.00 178.44 179.54 2jby h THR 85 N 0.91 1.27 0.74 1.05 2.02 -1.37 -1.06 112.91 116.46 2jby h THR 85 Ca 0.24 -1.11 -0.04 0.00 0.77 0.00 0.00 66.41 66.28 2jby h THR 85 Cb -0.06 0.72 0.01 0.00 -1.74 0.00 0.00 68.15 67.08 2jby h THR 85 CO -0.05 0.41 -0.35 0.25 0.37 0.00 0.00 175.52 176.15 2jby h LEU 86 N 1.01 -0.84 -0.84 2.58 5.85 -0.60 -3.01 115.31 119.47 2jby h LEU 86 Ca 0.19 0.01 0.17 0.00 0.84 0.00 0.00 57.88 59.09 2jby h LEU 86 Cb 0.51 0.22 -0.16 0.00 0.37 0.00 0.00 40.66 41.60 2jby h LEU 86 CO 0.02 -0.52 -0.18 0.25 -0.34 0.00 0.00 178.44 177.67 2jby h LEU 87 N -1.12 -0.73 -0.56 2.25 5.85 -0.88 0.31 115.31 120.43 2jby h LEU 87 Ca -0.10 0.25 0.09 0.00 0.84 0.00 0.00 57.88 58.96 2jby h LEU 87 Cb 0.78 0.50 -0.11 0.00 0.37 0.00 0.00 40.66 42.21 2jby h LEU 87 CO 0.17 -0.27 -0.39 0.00 -0.34 0.00 0.00 178.44 177.60 2jby h ALA 88 N 1.83 -0.22 -0.49 1.25 0.00 -1.13 0.31 119.26 120.82 2jby h ALA 88 Ca 0.41 0.13 -0.08 0.00 0.00 0.00 0.00 54.91 55.36 2jby h ALA 88 Cb 0.65 0.87 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 2jby h ALA 88 CO -0.85 -0.77 -0.04 0.77 0.00 0.00 0.00 179.25 178.37 2jby h SER 89 N -0.21 0.82 -0.32 0.00 0.02 -1.21 -2.48 113.55 110.16 2jby h SER 89 Ca 0.20 -0.22 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 2jby h SER 89 Cb 0.56 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 2jby h SER 89 CO -0.67 0.91 0.18 0.58 -1.14 0.00 0.00 176.83 176.69 2jby h VAL 90 N 0.77 1.13 -0.42 2.27 2.07 -0.77 -2.36 116.25 118.93 2jby h VAL 90 Ca 0.14 -0.32 0.09 0.00 0.82 0.00 0.00 66.70 67.43 2jby h VAL 90 Cb 0.52 0.76 -0.09 0.00 -1.52 0.00 0.00 31.29 30.96 2jby h VAL 90 CO 0.03 0.13 -0.19 0.40 0.02 0.00 0.00 177.57 177.95 2jby h ILE 91 N 0.40 0.41 -0.63 4.57 2.04 -0.24 -1.75 117.51 122.32 2jby h ILE 91 Ca 0.11 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.00 2jby h ILE 91 Cb 0.04 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 36.50 2jby h ILE 91 CO -0.02 0.00 0.42 0.11 0.00 0.00 0.00 178.15 178.66 2jby h LYS 92 N -0.11 0.75 0.04 2.37 1.57 -1.39 -2.31 116.57 117.49 2jby h LYS 92 Ca 0.20 -0.05 -0.22 0.00 -1.87 0.00 0.00 60.65 58.72 2jby h LYS 92 Cb 0.43 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 2jby h LYS 92 CO -0.49 0.50 -1.02 0.87 -0.57 0.00 0.00 179.45 178.74 2jby h LYS 93 N 0.78 0.13 0.00 3.15 1.57 -0.93 -3.11 116.57 118.16 2jby h LYS 93 Ca 0.25 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2jby h LYS 93 Cb 0.04 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.41 2jby h LYS 93 CO -0.07 1.03 0.00 -0.07 -0.57 0.00 0.00 179.45 179.78 2jby h LEU 94 N 0.05 0.00 -1.33 2.94 3.38 -0.89 -3.12 115.31 116.35 2jby h LEU 94 Ca -0.05 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 2jby h LEU 94 Cb 1.72 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.46 2jby h LEU 94 CO 0.15 0.00 -0.23 0.78 0.09 0.00 0.00 178.44 179.23 2jby h ASN 95 N 0.00 0.15 -0.93 -0.43 4.21 -1.35 -1.52 115.58 115.71 2jby h ASN 95 Ca 0.00 -0.04 0.27 0.00 1.21 0.00 0.00 56.30 57.74 2jby h ASN 95 Cb 0.81 -0.04 -0.04 0.00 -1.12 0.00 0.00 38.32 37.93 2jby h ASN 95 CO 0.00 0.40 0.67 0.11 -1.29 0.00 0.00 177.43 177.31 2jby h LYS 96 N 0.15 0.03 0.03 0.81 1.57 -1.67 -3.01 116.57 114.48 2jby h LYS 96 Ca 0.03 -0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.51 2jby h LYS 96 Cb 0.50 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.76 2jby h LYS 96 CO 0.03 0.02 -1.62 -0.89 -0.57 0.00 0.00 179.45 176.42 2jby n ILE 97 N -4.28 1.59 -3.52 1.86 5.41 -0.65 -5.06 119.36 114.71 2jby n ILE 97 Ca 0.20 -0.23 -0.10 0.00 1.00 0.00 0.00 62.75 63.61 2jby n ILE 97 Cb 0.98 -1.93 -0.03 0.00 -0.71 0.00 0.00 39.64 37.94 2jby n ILE 97 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 2jby s GLN 98 N -2.43 0.79 -0.22 0.38 -0.21 -0.75 -5.12 119.66 112.11 2jby s GLN 98 Ca -0.29 -0.12 -0.33 0.00 0.02 0.00 0.00 55.36 54.64 2jby s GLN 98 Cb 0.07 0.37 -0.10 0.00 1.00 0.00 0.00 33.01 34.35 2jby s GLN 98 CO 0.62 -0.31 2.09 1.58 -2.12 0.00 0.00 175.29 177.15 2jby n HIS 99 N 0.14 1.97 -4.91 0.91 -0.00 -1.26 -3.89 115.22 108.18 2jby n HIS 99 Ca -0.10 0.06 -0.30 0.00 -0.00 0.00 0.00 57.72 57.38 2jby n HIS 99 Cb 0.60 -2.63 -0.17 0.00 -0.00 0.00 0.00 29.99 27.79 2jby n HIS 99 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 2jby s THR 100 N 6.40 1.83 0.40 3.57 2.01 -1.26 -5.01 115.64 123.57 2jby s THR 100 Ca 1.01 -0.87 0.04 0.00 0.31 0.00 0.00 61.69 62.18 2jby s THR 100 Cb -0.66 -1.61 -0.02 0.00 0.01 0.00 0.00 72.50 70.22 2jby s THR 100 CO 0.46 0.51 0.16 1.51 -0.69 0.00 0.00 174.62 176.57 2jby s ASP 101 N 0.56 2.62 0.41 3.53 -4.77 -1.26 -4.84 116.67 112.92 2jby s ASP 101 Ca -0.14 -1.70 0.16 0.00 -3.30 0.00 0.00 52.55 47.56 2jby s ASP 101 Cb -0.17 0.54 0.87 0.00 -1.09 0.00 0.00 42.92 43.07 2jby s ASP 101 CO 0.05 -0.97 1.88 0.00 0.70 0.00 0.00 175.17 176.83 2jby h ALA 102 N 1.83 1.38 -0.93 2.11 0.00 -1.92 -3.07 119.26 118.67 2jby h ALA 102 Ca -0.33 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.30 2jby h ALA 102 Cb 1.27 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 2jby h ALA 102 CO 0.53 0.38 0.57 0.00 0.00 0.00 0.00 179.25 180.73 2jby h ALA 103 N 1.69 1.18 -0.18 0.00 0.00 -1.98 -0.82 119.26 119.15 2jby h ALA 103 Ca -0.00 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.87 2jby h ALA 103 Cb 0.58 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2jby h ALA 103 CO 0.04 0.62 0.79 0.52 0.00 0.00 0.00 179.25 181.22 2jby h MET 104 N 1.27 0.00 0.00 0.00 2.86 -1.97 -1.24 114.93 115.85 2jby h MET 104 Ca 0.33 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.97 2jby h MET 104 Cb -0.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.58 2jby h MET 104 CO -0.07 0.00 -0.01 1.19 1.06 0.00 0.00 176.91 179.08 2jby n PHE 105 N -2.82 0.00 -0.31 -0.22 3.01 -0.33 -4.87 117.46 111.93 2jby n PHE 105 Ca 0.03 -0.69 0.13 0.00 1.01 0.00 0.00 57.45 57.93 2jby n PHE 105 Cb 0.87 -0.09 0.25 0.00 -0.01 0.00 0.00 39.48 40.49 2jby n PHE 105 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 2jby n SER 106 N -0.89 -0.12 0.04 4.37 3.41 -0.47 -0.65 113.62 119.31 2jby n SER 106 Ca 0.07 1.52 -0.04 0.00 -0.26 0.00 0.00 58.87 60.16 2jby n SER 106 Cb 0.45 -0.55 0.18 0.00 -0.26 0.00 0.00 64.21 64.03 2jby n SER 106 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2jby h GLU 107 N 0.00 0.40 -0.20 4.33 4.39 -1.89 0.11 114.58 121.72 2jby h GLU 107 Ca 0.53 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 60.05 2jby h GLU 107 Cb 1.08 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.71 2jby h GLU 107 CO -0.85 0.71 0.13 0.28 -1.16 0.00 0.00 179.01 178.13 2jby h VAL 108 N 0.33 1.06 -0.82 3.13 2.07 -1.22 -2.27 116.25 118.53 2jby h VAL 108 Ca 0.04 -0.12 0.04 0.00 0.82 0.00 0.00 66.70 67.47 2jby h VAL 108 Cb 0.81 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 31.30 2jby h VAL 108 CO 0.06 0.06 0.52 0.40 0.02 0.00 0.00 177.57 178.63 2jby h ILE 109 N 0.27 1.11 -0.93 4.57 2.04 -0.75 0.28 117.51 124.09 2jby h ILE 109 Ca 0.07 -0.35 0.05 0.00 1.00 0.00 0.00 64.86 65.64 2jby h ILE 109 Cb -0.02 0.02 -0.06 0.00 -0.74 0.00 0.00 36.82 36.02 2jby h ILE 109 CO -0.02 0.18 0.60 0.44 0.00 0.00 0.00 178.15 179.36 2jby h ASP 110 N 1.01 0.98 0.35 1.72 5.19 -0.69 0.10 116.42 125.07 2jby h ASP 110 Ca 0.33 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 56.54 2jby h ASP 110 Cb 0.04 -0.21 -0.00 0.00 0.18 0.00 0.00 39.33 39.34 2jby h ASP 110 CO -0.12 0.65 -0.87 1.23 -3.12 0.00 0.00 179.24 177.01 2jby h GLY 111 N 1.13 0.42 2.00 2.75 0.00 -0.44 -2.56 103.07 106.37 2jby h GLY 111 Ca 0.39 -0.69 -0.07 0.00 0.00 0.00 0.00 47.33 46.95 2jby h GLY 111 CO -0.15 0.61 -0.34 -2.22 0.00 0.00 0.00 176.54 174.45 2jby h ILE 112 N 0.23 1.13 -0.01 2.60 2.04 0.02 -3.25 117.51 120.26 2jby h ILE 112 Ca -0.06 -1.20 0.00 0.00 1.00 0.00 0.00 64.86 64.60 2jby h ILE 112 Cb 1.48 1.67 0.00 0.00 -0.74 0.00 0.00 36.82 39.23 2jby h ILE 112 CO 0.15 0.33 -0.46 1.33 0.00 0.00 0.00 178.15 179.50 2jby n VAL 113 N -3.98 0.00 -1.93 1.67 0.24 0.31 -4.88 118.33 109.76 2jby n VAL 113 Ca -0.02 -0.20 -0.40 0.00 -2.04 0.00 0.00 64.34 61.68 2jby n VAL 113 Cb 0.39 0.98 -0.00 0.00 -1.47 0.00 0.00 33.84 33.74 2jby n VAL 113 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2jby s ALA 114 N -2.54 3.41 -1.00 2.33 0.00 -0.96 -3.09 121.76 119.91 2jby s ALA 114 Ca 0.19 1.40 -0.05 0.00 0.00 0.00 0.00 51.96 53.50 2jby s ALA 114 Cb 0.18 -3.55 -0.06 0.00 0.00 0.00 0.00 23.12 19.70 2jby s ALA 114 CO 0.58 -0.94 0.88 0.39 0.00 0.00 0.00 175.76 176.67 2jby n GLU 115 N 0.31 -2.05 -0.32 0.00 1.02 -1.26 -4.84 120.64 113.51 2jby n GLU 115 Ca 0.02 0.97 -0.06 0.00 -0.02 0.00 0.00 57.16 58.07 2jby n GLU 115 Cb 0.41 -5.76 -0.02 0.00 -0.02 0.00 0.00 31.44 26.05 2jby n GLU 115 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2jby h GLU 116 N -0.83 -0.09 -0.97 3.49 5.08 -1.94 -2.81 114.58 116.52 2jby h GLU 116 Ca -0.50 0.01 0.11 0.00 -1.00 0.00 0.00 59.36 57.97 2jby h GLU 116 Cb 1.26 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 30.45 2jby h GLU 116 CO 0.42 -0.06 0.60 1.96 -1.00 0.00 0.00 179.01 180.92 2jby h GLN 117 N -0.09 0.94 -0.57 2.33 4.20 -1.92 0.12 115.11 120.11 2jby h GLN 117 Ca 0.24 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.85 2jby h GLN 117 Cb 0.54 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 28.09 2jby h GLN 117 CO -0.85 0.62 0.18 1.96 -0.67 0.00 0.00 178.83 180.07 2jby h GLN 118 N 0.96 0.88 0.04 1.46 4.20 -1.88 -0.36 115.11 120.41 2jby h GLN 118 Ca 0.47 -0.19 -0.00 0.00 0.06 0.00 0.00 58.65 58.99 2jby h GLN 118 Cb 0.44 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.09 2jby h GLN 118 CO -0.26 0.79 -0.02 0.28 -0.67 0.00 0.00 178.83 178.96 2jby h VAL 119 N 0.79 1.34 -0.73 -0.54 2.07 -0.86 -1.73 116.25 116.60 2jby h VAL 119 Ca 0.18 -1.29 0.11 0.00 0.82 0.00 0.00 66.70 66.52 2jby h VAL 119 Cb 0.27 2.19 -0.08 0.00 -1.52 0.00 0.00 31.29 32.15 2jby h VAL 119 CO -0.01 0.32 0.34 0.40 0.02 0.00 0.00 177.57 178.64 2jby h ILE 120 N -0.63 0.77 -0.91 4.57 2.04 -1.33 -0.61 117.51 121.40 2jby h ILE 120 Ca -0.00 -0.18 0.11 0.00 1.00 0.00 0.00 64.86 65.78 2jby h ILE 120 Cb 0.57 0.18 -0.08 0.00 -0.74 0.00 0.00 36.82 36.75 2jby h ILE 120 CO 0.01 0.10 0.55 1.23 0.00 0.00 0.00 178.15 180.03 2jby h GLY 121 N 0.54 1.46 1.51 5.37 0.00 -0.89 -0.99 103.07 110.07 2jby h GLY 121 Ca 0.38 -0.36 -0.19 0.00 0.00 0.00 0.00 47.33 47.15 2jby h GLY 121 CO -0.33 0.14 -0.73 -2.75 0.00 0.00 0.00 176.54 172.87 2jby h PHE 122 N 0.88 0.65 -0.28 5.60 3.57 -0.81 -1.74 116.94 124.83 2jby h PHE 122 Ca 0.45 -0.29 -0.09 0.00 3.53 0.00 0.00 57.97 61.57 2jby h PHE 122 Cb 0.44 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 2jby h PHE 122 CO -0.04 1.05 -0.19 0.82 -2.23 0.00 0.00 178.31 177.73 2jby h ILE 123 N 0.33 1.30 0.00 1.41 2.04 -0.06 0.46 117.51 123.00 2jby h ILE 123 Ca -0.03 -1.32 0.00 0.00 1.00 0.00 0.00 64.86 64.50 2jby h ILE 123 Cb 1.31 1.56 0.00 0.00 -0.74 0.00 0.00 36.82 38.95 2jby h ILE 123 CO 0.13 0.42 -0.21 1.56 0.00 0.00 0.00 178.15 180.05 2jby h GLN 124 N 0.35 0.00 -0.19 2.37 1.08 -1.33 -3.36 115.11 114.04 2jby h GLN 124 Ca 0.05 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.20 2jby h GLN 124 Cb 0.73 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.16 2jby h GLN 124 CO 0.05 0.00 -0.11 -0.22 -0.95 0.00 0.00 178.83 177.61 2jby h LYS 125 N -0.79 0.40 -0.07 1.46 3.64 -1.46 -3.40 116.57 116.36 2jby h LYS 125 Ca 0.00 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 2jby h LYS 125 Cb 0.21 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 2jby h LYS 125 CO 0.00 0.71 0.00 1.63 -2.27 0.00 0.00 179.45 179.52 2jby n LYS 126 N -4.56 2.97 0.10 1.90 5.02 -0.51 -4.82 118.16 118.26 2jby n LYS 126 Ca -0.05 -1.62 0.02 0.00 -2.02 0.00 0.00 58.31 54.64 2jby n LYS 126 Cb 0.33 -1.06 -0.02 0.00 -0.02 0.00 0.00 35.03 34.27 2jby n LYS 126 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88