#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nvp n GLN 4 N 0.00 1.01 -0.06 -0.72 6.02 -1.26 -4.18 117.38 118.19 1nvp n GLN 4 Ca 0.00 -0.02 -0.11 0.00 -0.01 0.00 0.00 57.00 56.86 1nvp n GLN 4 Cb 0.00 -1.01 -0.05 0.00 1.02 0.00 0.00 30.24 30.21 1nvp n GLN 4 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1nvp h LEU 5 N 1.21 0.31 -1.64 1.08 5.85 -2.03 -3.29 115.31 116.80 1nvp h LEU 5 Ca 0.00 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.51 1nvp h LEU 5 Cb 1.01 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.96 1nvp h LEU 5 CO 0.01 0.44 0.00 -1.22 -0.34 0.00 0.00 178.44 177.33 1nvp n TYR 6 N -4.78 0.60 0.08 1.25 4.02 -1.26 -4.19 117.16 112.88 1nvp n TYR 6 Ca -0.04 -0.22 -0.11 0.00 -0.01 0.00 0.00 57.90 57.52 1nvp n TYR 6 Cb 0.16 -0.19 -0.05 0.00 -0.02 0.00 0.00 39.34 39.24 1nvp n TYR 6 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1nvp h ARG 7 N 1.28 0.26 -2.84 -0.72 3.08 -1.91 -3.34 114.38 110.20 1nvp h ARG 7 Ca 0.00 -0.32 -0.78 0.00 0.07 0.00 0.00 59.98 58.95 1nvp h ARG 7 Cb 0.85 0.10 -0.21 0.00 0.08 0.00 0.00 29.97 30.79 1nvp h ARG 7 CO 0.13 1.05 1.53 -1.71 -1.07 0.00 0.00 179.97 179.90 1nvp n ASN 8 N -3.64 6.67 -4.30 7.04 5.15 -1.26 -2.01 115.26 122.91 1nvp n ASN 8 Ca -0.05 -3.34 -0.20 0.00 -0.60 0.00 0.00 54.58 50.39 1nvp n ASN 8 Cb 0.87 -1.32 -0.10 0.00 -0.53 0.00 0.00 39.78 38.70 1nvp n ASN 8 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1nvp s THR 9 N -1.98 0.76 0.10 -0.44 -4.23 -1.25 -4.93 115.64 103.66 1nvp s THR 9 Ca 0.40 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.61 1nvp s THR 9 Cb 0.12 -2.64 -0.12 0.00 1.34 0.00 0.00 72.50 71.21 1nvp s THR 9 CO -0.02 0.00 1.61 0.74 -0.54 0.00 0.00 174.62 176.41 1nvp h THR 10 N 2.18 0.27 -0.19 3.99 2.02 -1.91 0.17 112.91 119.44 1nvp h THR 10 Ca -0.38 0.00 0.05 0.00 0.77 0.00 0.00 66.41 66.85 1nvp h THR 10 Cb 1.25 0.27 -0.07 0.00 -1.74 0.00 0.00 68.15 67.86 1nvp h THR 10 CO 0.62 0.00 -0.34 0.25 0.37 0.00 0.00 175.52 176.42 1nvp h LEU 11 N -0.68 -1.07 -0.88 2.58 5.85 -1.92 -1.12 115.31 118.07 1nvp h LEU 11 Ca -0.01 0.16 -0.07 0.00 0.84 0.00 0.00 57.88 58.81 1nvp h LEU 11 Cb 0.64 0.46 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 1nvp h LEU 11 CO -0.11 -0.36 0.09 1.23 -0.34 0.00 0.00 178.44 178.95 1nvp h GLY 12 N -0.38 0.99 1.08 3.75 0.00 -1.65 -2.77 103.07 104.09 1nvp h GLY 12 Ca 0.11 -0.63 -0.19 0.00 0.00 0.00 0.00 47.33 46.62 1nvp h GLY 12 CO -0.40 0.58 -0.64 3.43 0.00 0.00 0.00 176.54 179.51 1nvp h ASN 13 N 0.87 0.86 -0.82 0.19 2.35 -0.03 -2.17 115.58 116.84 1nvp h ASN 13 Ca 0.18 -0.61 0.06 0.00 -0.55 0.00 0.00 56.30 55.39 1nvp h ASN 13 Cb 0.39 -0.25 -0.05 0.00 0.05 0.00 0.00 38.32 38.46 1nvp h ASN 13 CO 0.01 1.32 0.54 0.77 -1.65 0.00 0.00 177.43 178.42 1nvp h SER 14 N 0.45 0.79 0.11 5.81 4.64 -1.20 -0.20 113.55 123.94 1nvp h SER 14 Ca -0.03 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.29 1nvp h SER 14 Cb 1.27 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1nvp h SER 14 CO 0.14 0.51 -0.05 0.25 -0.87 0.00 0.00 176.83 176.80 1nvp h LEU 15 N 0.90 -0.13 -1.01 5.97 5.85 -1.32 -1.47 115.31 124.10 1nvp h LEU 15 Ca 0.35 -0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.95 1nvp h LEU 15 Cb 0.22 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.24 1nvp h LEU 15 CO -0.12 0.06 0.67 1.56 -0.34 0.00 0.00 178.44 180.26 1nvp h GLN 16 N -0.31 1.32 -0.37 1.25 4.20 -0.73 -0.11 115.11 120.37 1nvp h GLN 16 Ca -0.02 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.59 1nvp h GLN 16 Cb 0.25 -0.30 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 1nvp h GLN 16 CO 0.03 0.87 0.13 0.93 -0.67 0.00 0.00 178.83 180.11 1nvp h GLU 17 N 1.36 0.56 -0.72 1.46 5.08 -0.97 0.78 114.58 122.13 1nvp h GLU 17 Ca 0.37 -0.11 0.02 0.00 -1.00 0.00 0.00 59.36 58.64 1nvp h GLU 17 Cb -0.14 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 28.99 1nvp h GLU 17 CO -0.09 0.57 0.46 0.77 -1.00 0.00 0.00 179.01 179.72 1nvp h SER 18 N 0.44 0.78 -0.40 1.42 0.02 -0.70 -2.23 113.55 112.89 1nvp h SER 18 Ca 0.12 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.02 1nvp h SER 18 Cb 0.23 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 1nvp h SER 18 CO -0.01 0.55 0.10 -0.07 -1.14 0.00 0.00 176.83 176.27 1nvp h LEU 19 N 0.93 0.60 -1.02 5.07 3.38 -0.58 -2.78 115.31 120.90 1nvp h LEU 19 Ca 0.28 -0.23 0.05 0.00 0.09 0.00 0.00 57.88 58.07 1nvp h LEU 19 Cb -0.04 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.49 1nvp h LEU 19 CO -0.09 0.67 0.65 0.44 0.09 0.00 0.00 178.44 180.21 1nvp h ASP 20 N 0.50 1.07 0.66 -0.43 3.32 -0.49 0.88 116.42 121.92 1nvp h ASP 20 Ca 0.13 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.15 1nvp h ASP 20 Cb 0.30 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1nvp h ASP 20 CO 0.00 0.70 -0.44 -0.33 -1.72 0.00 0.00 179.24 177.46 1nvp h GLU 21 N 1.22 -1.00 -0.60 3.56 5.08 -1.25 0.90 114.58 122.48 1nvp h GLU 21 Ca 0.42 0.07 0.18 0.00 -1.00 0.00 0.00 59.36 59.02 1nvp h GLU 21 Cb 0.09 0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1nvp h GLU 21 CO -0.15 -0.67 0.45 -0.07 -1.00 0.00 0.00 179.01 177.57 1nvp h LEU 22 N -1.04 0.00 0.06 1.33 3.38 -1.16 0.52 115.31 118.40 1nvp h LEU 22 Ca -0.08 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.65 1nvp h LEU 22 Cb 0.85 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.62 1nvp h LEU 22 CO 0.06 0.00 -0.96 0.40 0.09 0.00 0.00 178.44 178.03 1nvp h ILE 23 N 0.00 1.35 -0.15 1.22 2.04 0.11 0.71 117.51 122.80 1nvp h ILE 23 Ca 0.29 -2.31 0.00 0.00 1.00 0.00 0.00 64.86 63.84 1nvp h ILE 23 Cb 1.19 2.67 -0.01 0.00 -0.74 0.00 0.00 36.82 39.93 1nvp h ILE 23 CO -0.00 0.69 0.10 -0.61 0.00 0.00 0.00 178.15 178.32 1nvp h GLN 24 N 0.11 0.20 -0.37 2.37 -0.00 0.53 -0.71 115.11 117.23 1nvp h GLN 24 Ca -0.14 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.50 1nvp h GLN 24 Cb 1.66 -0.04 0.00 0.00 0.00 0.00 0.00 27.48 29.10 1nvp h GLN 24 CO 0.19 0.14 0.00 -1.13 0.00 0.00 0.00 178.83 178.03 1nvp n SER 25 N -4.98 0.58 -1.76 -0.69 3.41 0.12 -4.87 113.62 105.44 1nvp n SER 25 Ca -0.04 -2.02 -0.18 0.00 -0.26 0.00 0.00 58.87 56.37 1nvp n SER 25 Cb 0.03 -0.20 -0.06 0.00 -0.26 0.00 0.00 64.21 63.73 1nvp n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nvp n GLN 26 N -0.24 -1.52 0.19 4.33 6.02 -0.27 -4.86 117.38 121.03 1nvp n GLN 26 Ca 0.01 1.02 0.08 0.00 -0.01 0.00 0.00 57.00 58.10 1nvp n GLN 26 Cb 0.13 -5.43 0.20 0.00 1.02 0.00 0.00 30.24 26.16 1nvp n GLN 26 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 1nvp h GLN 27 N 0.00 0.00 -4.04 -1.09 4.20 0.19 -3.46 115.11 110.91 1nvp h GLN 27 Ca -0.39 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.19 1nvp h GLN 27 Cb 1.22 0.00 -0.17 0.00 0.30 0.00 0.00 27.48 28.82 1nvp h GLN 27 CO 0.53 0.24 -0.63 0.96 -0.67 0.00 0.00 178.83 179.27 1nvp s ILE 28 N -3.23 0.17 0.50 2.54 -4.36 -0.86 -5.01 121.20 110.95 1nvp s ILE 28 Ca 0.04 -1.37 -0.03 0.00 -0.26 0.00 0.00 60.65 59.03 1nvp s ILE 28 Cb 0.07 -1.04 -0.01 0.00 1.25 0.00 0.00 42.46 42.74 1nvp s ILE 28 CO 0.68 -0.75 0.77 0.42 0.24 0.00 0.00 174.94 176.30 1nvp s THR 29 N -2.97 4.21 0.25 8.37 -4.23 -1.26 -4.25 115.64 115.76 1nvp s THR 29 Ca -0.02 -0.14 -0.05 0.00 -1.18 0.00 0.00 61.69 60.30 1nvp s THR 29 Cb 0.01 -3.60 0.20 0.00 1.34 0.00 0.00 72.50 70.44 1nvp s THR 29 CO -0.06 -0.53 1.85 -0.65 -0.54 0.00 0.00 174.62 174.68 1nvp h PRO 30 N 0.18 1.13 -0.67 3.99 0.11 -1.98 -2.08 132.00 132.69 1nvp h PRO 30 Ca -0.46 -0.16 0.06 0.00 0.11 0.00 0.00 66.00 65.55 1nvp h PRO 30 Cb 1.24 -0.21 -0.06 0.00 0.11 0.00 0.00 31.00 32.08 1nvp h PRO 30 CO 0.60 0.86 0.37 0.37 -0.21 0.00 0.00 178.00 179.99 1nvp h GLN 31 N 1.13 0.65 -0.68 1.05 5.75 -1.99 0.15 115.11 121.17 1nvp h GLN 31 Ca 0.28 -0.04 -0.06 0.00 -0.15 0.00 0.00 58.65 58.67 1nvp h GLN 31 Cb 0.10 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.47 1nvp h GLN 31 CO -0.04 0.43 0.17 1.25 -2.65 0.00 0.00 178.83 178.00 1nvp h LEU 32 N 0.67 1.03 -0.49 -2.39 5.85 -1.84 -0.83 115.31 117.31 1nvp h LEU 32 Ca 0.30 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 1nvp h LEU 32 Cb 0.21 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 1nvp h LEU 32 CO -0.19 0.99 0.30 0.00 -0.34 0.00 0.00 178.44 179.20 1nvp h ALA 33 N 1.08 0.62 -0.70 1.25 0.00 -0.60 -0.71 119.26 120.19 1nvp h ALA 33 Ca 0.21 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1nvp h ALA 33 Cb 0.36 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1nvp h ALA 33 CO 0.00 0.09 0.45 1.25 0.00 0.00 0.00 179.25 181.05 1nvp h LEU 34 N 0.65 0.76 -1.40 0.00 5.85 -0.37 -1.01 115.31 119.78 1nvp h LEU 34 Ca 0.18 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 1nvp h LEU 34 Cb -0.03 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 1nvp h LEU 34 CO -0.03 0.53 0.17 1.56 -0.34 0.00 0.00 178.44 180.33 1nvp h GLN 35 N 0.90 0.57 -0.28 1.25 1.08 -0.50 -0.35 115.11 117.78 1nvp h GLN 35 Ca 0.27 -0.07 -0.12 0.00 -1.45 0.00 0.00 58.65 57.29 1nvp h GLN 35 Cb -0.03 -0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.28 1nvp h GLN 35 CO -0.09 0.47 -0.28 0.28 -0.95 0.00 0.00 178.83 178.26 1nvp h VAL 36 N 0.57 1.31 -0.72 -0.54 2.07 -0.18 -2.27 116.25 116.49 1nvp h VAL 36 Ca 0.14 -1.45 -0.02 0.00 0.82 0.00 0.00 66.70 66.20 1nvp h VAL 36 Cb 0.11 1.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 1nvp h VAL 36 CO -0.02 0.46 0.38 -0.07 0.02 0.00 0.00 177.57 178.35 1nvp h LEU 37 N 0.41 0.92 -0.77 2.57 3.38 -0.73 0.09 115.31 121.18 1nvp h LEU 37 Ca 0.04 -0.11 0.04 0.00 0.09 0.00 0.00 57.88 57.95 1nvp h LEU 37 Cb 0.85 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.31 1nvp h LEU 37 CO 0.07 0.76 0.48 -0.07 0.09 0.00 0.00 178.44 179.77 1nvp h LEU 38 N 1.00 0.77 -1.00 1.67 3.38 -0.98 0.03 115.31 120.18 1nvp h LEU 38 Ca 0.25 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.18 1nvp h LEU 38 Cb 0.06 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1nvp h LEU 38 CO -0.04 0.52 0.14 -0.61 0.09 0.00 0.00 178.44 178.54 1nvp h GLN 39 N 0.91 0.87 -0.45 1.13 5.75 -0.74 -2.67 115.11 119.91 1nvp h GLN 39 Ca 0.32 -0.18 -0.02 0.00 -0.15 0.00 0.00 58.65 58.62 1nvp h GLN 39 Cb 0.07 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.47 1nvp h GLN 39 CO -0.13 0.78 0.21 0.35 -2.65 0.00 0.00 178.83 177.38 1nvp h PHE 40 N 0.84 0.65 -0.13 3.99 3.57 0.58 -1.95 116.94 124.50 1nvp h PHE 40 Ca 0.18 -0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.69 1nvp h PHE 40 Cb 0.29 -0.20 -0.05 0.00 2.79 0.00 0.00 35.95 38.78 1nvp h PHE 40 CO 0.02 0.53 -0.18 -0.44 -2.23 0.00 0.00 178.31 176.01 1nvp h ASP 41 N 0.58 -0.56 -0.72 0.41 3.32 -0.72 0.15 116.42 118.89 1nvp h ASP 41 Ca 0.15 0.10 0.04 0.00 0.02 0.00 0.00 57.03 57.34 1nvp h ASP 41 Cb 0.13 0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.89 1nvp h ASP 41 CO -0.02 -0.23 0.44 0.11 -1.72 0.00 0.00 179.24 177.83 1nvp h LYS 42 N -0.23 0.83 -0.38 3.56 1.57 -1.41 -2.01 116.57 118.51 1nvp h LYS 42 Ca 0.10 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.74 1nvp h LYS 42 Cb 0.37 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1nvp h LYS 42 CO -0.26 0.55 -0.09 0.00 -0.57 0.00 0.00 179.45 179.08 1nvp h ALA 43 N 1.32 0.52 -0.26 3.86 0.00 -0.56 -1.70 119.26 122.45 1nvp h ALA 43 Ca 0.29 -0.31 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 1nvp h ALA 43 Cb 0.05 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1nvp h ALA 43 CO -0.12 0.39 -0.49 0.97 0.00 0.00 0.00 179.25 179.99 1nvp h ILE 44 N 0.54 1.29 -0.07 0.00 6.09 -0.64 -1.99 117.51 122.73 1nvp h ILE 44 Ca 0.10 -1.69 0.00 0.00 -1.37 0.00 0.00 64.86 61.90 1nvp h ILE 44 Cb 0.61 1.71 -0.00 0.00 0.47 0.00 0.00 36.82 39.61 1nvp h ILE 44 CO 0.04 0.54 0.04 0.78 -3.07 0.00 0.00 178.15 176.48 1nvp h ASN 45 N 0.54 0.08 -0.69 2.19 2.35 -1.39 -1.67 115.58 116.99 1nvp h ASN 45 Ca 0.01 -0.01 0.01 0.00 -0.55 0.00 0.00 56.30 55.76 1nvp h ASN 45 Cb 1.10 -0.02 -0.04 0.00 0.05 0.00 0.00 38.32 39.42 1nvp h ASN 45 CO 0.11 0.07 0.45 0.00 -1.65 0.00 0.00 177.43 176.41 1nvp h ALA 46 N 1.01 0.87 -0.39 -0.83 0.00 -1.31 -2.74 119.26 115.87 1nvp h ALA 46 Ca 0.02 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1nvp h ALA 46 Cb 0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1nvp h ALA 46 CO -0.01 0.28 -0.11 0.00 0.00 0.00 0.00 179.25 179.42 1nvp h ALA 47 N 1.26 1.08 0.16 0.00 0.00 -1.16 -2.57 119.26 118.02 1nvp h ALA 47 Ca 0.26 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1nvp h ALA 47 Cb -0.09 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1nvp h ALA 47 CO -0.06 0.57 -0.08 -0.07 0.00 0.00 0.00 179.25 179.61 1nvp h LEU 48 N 0.63 -0.18 -0.50 0.00 3.38 -1.05 0.16 115.31 117.76 1nvp h LEU 48 Ca 0.11 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 1nvp h LEU 48 Cb 0.55 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1nvp h LEU 48 CO 0.03 0.13 0.15 0.00 0.09 0.00 0.00 178.44 178.84 1nvp h ALA 49 N 0.28 0.65 0.06 1.53 0.00 -1.53 -3.13 119.26 117.13 1nvp h ALA 49 Ca -0.02 -0.19 -0.30 0.00 0.00 0.00 0.00 54.91 54.40 1nvp h ALA 49 Cb 0.39 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1nvp h ALA 49 CO 0.04 0.31 -1.64 -0.56 0.00 0.00 0.00 179.25 177.39 1nvp h GLN 50 N 0.67 0.13 0.00 0.00 -0.00 -1.53 -3.44 115.11 110.94 1nvp h GLN 50 Ca 0.16 -0.22 0.00 0.00 -0.00 0.00 0.00 58.65 58.59 1nvp h GLN 50 Cb 0.28 0.08 0.00 0.00 -0.00 0.00 0.00 27.48 27.84 1nvp h GLN 50 CO -0.00 0.88 0.00 2.89 -0.00 0.00 0.00 178.83 182.59 1nvp n ARG 51 N -3.29 0.00 -1.91 0.06 0.00 0.56 -4.94 116.66 107.14 1nvp n ARG 51 Ca -0.18 0.34 -0.37 0.00 -0.00 0.00 0.00 57.85 57.65 1nvp n ARG 51 Cb 1.04 -0.84 0.04 0.00 -0.00 0.00 0.00 32.46 32.71 1nvp n ARG 51 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1nvp s VAL 52 N -0.98 2.39 0.00 8.89 1.01 -1.18 -4.97 120.40 125.57 1nvp s VAL 52 Ca 0.00 0.25 0.04 0.00 0.00 0.00 0.00 61.98 62.27 1nvp s VAL 52 Cb 0.00 -3.10 0.07 0.00 0.00 0.00 0.00 36.38 33.34 1nvp s VAL 52 CO 0.00 -0.05 1.02 0.54 0.00 0.00 0.00 175.10 176.61 1nvp n ARG 53 N -1.61 0.00 -3.78 2.72 5.12 -1.26 -4.78 116.66 113.07 1nvp n ARG 53 Ca 0.14 -1.14 -0.21 0.00 -1.93 0.00 0.00 57.85 54.71 1nvp n ARG 53 Cb 0.49 0.41 -0.03 0.00 -1.16 0.00 0.00 32.46 32.17 1nvp n ARG 53 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1nvp s ASN 54 N -1.14 5.44 0.03 0.55 4.22 -1.26 -5.13 114.94 117.66 1nvp s ASN 54 Ca 0.05 -0.41 0.04 0.00 -2.14 0.00 0.00 52.86 50.40 1nvp s ASN 54 Cb 0.06 -1.07 -0.03 0.00 1.28 0.00 0.00 41.25 41.49 1nvp s ASN 54 CO -0.03 -0.34 -0.08 -0.60 -2.04 0.00 0.00 177.10 174.01 1nvp s ARG 55 N -4.01 2.42 0.17 3.55 3.52 -1.26 -5.13 118.95 118.20 1nvp s ARG 55 Ca 0.41 -0.81 0.06 0.00 -0.13 0.00 0.00 55.73 55.26 1nvp s ARG 55 Cb -0.07 -2.43 -0.04 0.00 -1.56 0.00 0.00 34.95 30.85 1nvp s ARG 55 CO 0.27 0.58 -0.13 0.08 -0.81 0.00 0.00 175.30 175.29 1nvp s VAL 56 N -1.04 1.46 0.00 7.11 1.01 -1.26 -4.63 120.40 123.05 1nvp s VAL 56 Ca 0.18 -2.11 -0.00 0.00 0.00 0.00 0.00 61.98 60.05 1nvp s VAL 56 Cb -0.11 -1.92 -0.01 0.00 0.00 0.00 0.00 36.38 34.34 1nvp s VAL 56 CO 0.09 -0.65 -0.00 0.20 0.00 0.00 0.00 175.10 174.74 1nvp s ASN 57 N -3.18 0.07 -0.01 3.32 0.01 0.11 -4.97 114.94 110.28 1nvp s ASN 57 Ca 0.19 -0.15 -0.10 0.00 -0.71 0.00 0.00 52.86 52.09 1nvp s ASN 57 Cb 0.00 0.05 0.01 0.00 0.41 0.00 0.00 41.25 41.72 1nvp s ASN 57 CO 0.04 -0.11 0.20 0.72 -1.51 0.00 0.00 177.10 176.44 1nvp s PHE 58 N -0.50 -0.07 0.01 2.20 -0.12 -1.26 0.32 117.98 118.57 1nvp s PHE 58 Ca -0.06 0.09 -0.00 0.00 -0.05 0.00 0.00 56.93 56.91 1nvp s PHE 58 Cb -0.03 0.01 -0.01 0.00 -0.63 0.00 0.00 43.02 42.36 1nvp s PHE 58 CO -0.00 -0.29 -0.01 0.50 -0.05 0.00 0.00 175.22 175.36 1nvp s ARG 59 N -1.16 0.25 0.00 1.99 3.52 -1.10 -4.96 118.95 117.49 1nvp s ARG 59 Ca -0.12 -0.45 0.00 0.00 -0.13 0.00 0.00 55.73 55.03 1nvp s ARG 59 Cb -0.06 0.09 0.00 0.00 -1.56 0.00 0.00 34.95 33.42 1nvp s ARG 59 CO 0.02 -0.04 0.00 0.41 -0.81 0.00 0.00 175.30 174.88 1nvp n GLY 60 N 1.95 -1.24 3.63 8.12 0.00 -1.26 -0.88 105.19 115.51 1nvp n GLY 60 Ca -0.21 -0.85 -0.35 0.00 0.00 0.00 0.00 46.02 44.61 1nvp n GLY 60 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nvp s SER 61 N -4.00 5.32 -0.17 1.61 1.04 -0.92 -4.95 113.70 111.63 1nvp s SER 61 Ca 0.00 0.07 -0.26 0.00 0.48 0.00 0.00 55.95 56.23 1nvp s SER 61 Cb 0.00 -1.76 -0.01 0.00 0.10 0.00 0.00 66.02 64.35 1nvp s SER 61 CO 0.00 0.25 0.88 -0.22 0.98 0.00 0.00 173.24 175.13 1nvp s LEU 62 N -0.12 4.17 -0.20 2.42 2.96 -1.26 -0.72 118.68 125.93 1nvp s LEU 62 Ca 0.05 1.24 -0.15 0.00 -0.22 0.00 0.00 54.13 55.05 1nvp s LEU 62 Cb -0.12 -3.31 -0.20 0.00 0.50 0.00 0.00 46.19 43.05 1nvp s LEU 62 CO 0.02 -0.44 0.15 -3.20 -1.32 0.00 0.00 176.35 171.55 1nvp n ASN 63 N 5.36 1.95 -3.80 3.68 2.85 0.08 -4.96 115.26 120.43 1nvp n ASN 63 Ca 0.06 0.32 -0.09 0.00 -0.11 0.00 0.00 54.58 54.76 1nvp n ASN 63 Cb 0.48 -0.89 -0.06 0.00 1.24 0.00 0.00 39.78 40.55 1nvp n ASN 63 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 1nvp s THR 64 N -2.44 0.12 0.04 -0.44 -4.23 -1.13 -5.01 115.64 102.55 1nvp s THR 64 Ca -0.29 -1.01 -0.12 0.00 -1.18 0.00 0.00 61.69 59.09 1nvp s THR 64 Cb 0.08 -1.29 0.01 0.00 1.34 0.00 0.00 72.50 72.64 1nvp s THR 64 CO 0.62 -0.56 0.25 -0.72 -0.54 0.00 0.00 174.62 173.68 1nvp s TYR 65 N -3.84 -0.03 -0.10 3.99 -0.85 -1.26 -2.30 117.35 112.96 1nvp s TYR 65 Ca 0.04 -0.13 -0.21 0.00 -0.52 0.00 0.00 57.07 56.25 1nvp s TYR 65 Cb 0.04 0.04 0.05 0.00 0.38 0.00 0.00 41.96 42.47 1nvp s TYR 65 CO -0.11 -0.46 0.52 0.50 -1.52 0.00 0.00 175.55 174.48 1nvp s ARG 66 N -2.48 0.78 -0.14 -3.49 3.52 -0.64 -4.98 118.95 111.52 1nvp s ARG 66 Ca -0.06 0.33 -0.04 0.00 -0.13 0.00 0.00 55.73 55.83 1nvp s ARG 66 Cb -0.01 0.36 0.07 0.00 -1.56 0.00 0.00 34.95 33.81 1nvp s ARG 66 CO -0.03 -0.19 0.23 0.12 -0.81 0.00 0.00 175.30 174.62 1nvp s PHE 67 N -0.63 -0.33 -0.02 5.12 5.36 -1.26 -1.53 117.98 124.68 1nvp s PHE 67 Ca -0.07 0.70 -0.24 0.00 -0.96 0.00 0.00 56.93 56.35 1nvp s PHE 67 Cb -0.03 -0.17 0.05 0.00 -0.34 0.00 0.00 43.02 42.53 1nvp s PHE 67 CO 0.05 -0.40 0.53 0.00 -1.46 0.00 0.00 175.22 173.94 1nvp n ASP 69 N 0.92 -3.55 -1.89 0.00 8.00 -1.26 -0.45 116.55 118.32 1nvp n ASP 69 Ca -0.20 -0.39 -0.19 0.00 0.71 0.00 0.00 54.79 54.73 1nvp n ASP 69 Cb 0.57 -2.95 -0.05 0.00 -0.02 0.00 0.00 41.12 38.68 1nvp n ASP 69 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1nvp n ASN 70 N -2.27 -5.09 -4.14 -2.24 3.02 -1.26 -4.96 115.26 98.33 1nvp n ASN 70 Ca -0.01 0.29 -0.33 0.00 -0.03 0.00 0.00 54.58 54.50 1nvp n ASN 70 Cb 0.54 -4.42 -0.16 0.00 -0.61 0.00 0.00 39.78 35.12 1nvp n ASN 70 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1nvp s VAL 71 N -2.72 2.04 -0.04 2.41 1.01 0.40 -3.74 120.40 119.77 1nvp s VAL 71 Ca 0.00 -0.94 -0.18 0.00 0.00 0.00 0.00 61.98 60.86 1nvp s VAL 71 Cb 0.00 -1.82 -0.05 0.00 0.00 0.00 0.00 36.38 34.50 1nvp s VAL 71 CO 0.00 0.54 0.50 0.26 0.00 0.00 0.00 175.10 176.40 1nvp s TRP 72 N 1.10 3.65 -0.19 5.22 0.52 -0.24 -2.92 118.94 126.07 1nvp s TRP 72 Ca 0.00 1.05 -0.01 0.00 0.02 0.00 0.00 56.10 57.16 1nvp s TRP 72 Cb -0.14 -2.50 0.05 0.00 -1.15 0.00 0.00 33.47 29.73 1nvp s TRP 72 CO -0.08 0.38 -0.04 0.99 0.02 0.00 0.00 176.95 178.22 1nvp s THR 73 N -0.20 1.13 0.41 2.01 2.01 -0.58 0.13 115.64 120.55 1nvp s THR 73 Ca 0.27 -0.81 0.07 0.00 0.31 0.00 0.00 61.69 61.54 1nvp s THR 73 Cb -0.17 -1.40 -0.05 0.00 0.01 0.00 0.00 72.50 70.89 1nvp s THR 73 CO 0.14 -0.01 0.21 -0.36 -0.69 0.00 0.00 174.62 173.91 1nvp s PHE 74 N 1.60 2.63 -0.23 4.92 0.40 0.75 -1.62 117.98 126.42 1nvp s PHE 74 Ca -0.02 -0.57 -0.03 0.00 -0.60 0.00 0.00 56.93 55.71 1nvp s PHE 74 Cb -0.17 -1.98 0.12 0.00 0.51 0.00 0.00 43.02 41.50 1nvp s PHE 74 CO -0.07 0.14 0.32 0.08 0.70 0.00 0.00 175.22 176.39 1nvp s VAL 75 N -2.58 -0.50 0.12 -0.44 1.01 -0.97 -1.28 120.40 115.76 1nvp s VAL 75 Ca 0.42 -0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.34 1nvp s VAL 75 Cb 0.03 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.60 1nvp s VAL 75 CO 0.23 -0.16 0.17 -0.76 0.00 0.00 0.00 175.10 174.59 1nvp s LEU 76 N 2.46 4.04 0.13 3.92 2.01 -0.12 -0.74 118.68 130.38 1nvp s LEU 76 Ca 0.10 0.04 0.10 0.00 0.01 0.00 0.00 54.13 54.39 1nvp s LEU 76 Cb -0.16 -2.65 -0.04 0.00 0.01 0.00 0.00 46.19 43.36 1nvp s LEU 76 CO -0.15 0.11 -0.24 0.20 1.01 0.00 0.00 176.35 177.28 1nvp s ASN 77 N -2.86 2.98 -1.20 2.29 -0.87 0.10 -1.58 114.94 113.79 1nvp s ASN 77 Ca 0.32 -0.75 -0.25 0.00 -1.57 0.00 0.00 52.86 50.62 1nvp s ASN 77 Cb -0.11 -0.19 0.01 0.00 -0.02 0.00 0.00 41.25 40.94 1nvp s ASN 77 CO 0.25 0.11 0.70 0.47 -2.57 0.00 0.00 177.10 176.06 1nvp n ASP 78 N 0.87 -4.31 -4.91 -1.22 8.00 -0.13 -2.16 116.55 112.69 1nvp n ASP 78 Ca -0.18 -1.14 -0.27 0.00 0.71 0.00 0.00 54.79 53.91 1nvp n ASP 78 Cb 0.54 -2.61 -0.02 0.00 -0.02 0.00 0.00 41.12 39.00 1nvp n ASP 78 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1nvp s VAL 79 N -3.55 5.02 -0.30 2.53 1.01 0.42 -4.47 120.40 121.05 1nvp s VAL 79 Ca 0.44 -0.03 -0.01 0.00 0.00 0.00 0.00 61.98 62.37 1nvp s VAL 79 Cb -0.19 -3.79 0.10 0.00 0.00 0.00 0.00 36.38 32.50 1nvp s VAL 79 CO 0.91 -0.48 0.10 -1.61 0.00 0.00 0.00 175.10 174.02 1nvp s GLU 80 N -3.96 0.65 -0.18 2.72 2.02 -0.06 -1.87 118.70 118.02 1nvp s GLU 80 Ca 0.44 -0.98 -0.26 0.00 0.02 0.00 0.00 54.97 54.19 1nvp s GLU 80 Cb -0.10 -1.89 -0.01 0.00 0.10 0.00 0.00 34.13 32.23 1nvp s GLU 80 CO 0.34 -0.98 0.87 -0.06 0.02 0.00 0.00 175.26 175.45 1nvp s PHE 81 N 1.69 3.41 -0.21 1.61 0.40 0.28 -2.71 117.98 122.44 1nvp s PHE 81 Ca 0.09 1.30 -0.03 0.00 -0.60 0.00 0.00 56.93 57.69 1nvp s PHE 81 Cb -0.17 -3.06 -0.01 0.00 0.51 0.00 0.00 43.02 40.29 1nvp s PHE 81 CO -0.26 -0.28 -0.06 0.50 0.70 0.00 0.00 175.22 175.82 1nvp s ARG 82 N 2.31 3.36 -0.07 0.44 3.52 0.95 -2.22 118.95 127.23 1nvp s ARG 82 Ca 0.40 -0.64 0.00 0.00 -0.13 0.00 0.00 55.73 55.36 1nvp s ARG 82 Cb -0.16 -2.97 0.02 0.00 -1.56 0.00 0.00 34.95 30.28 1nvp s ARG 82 CO 0.12 -0.18 -0.06 -2.00 -0.81 0.00 0.00 175.30 172.37 1nvp s GLU 83 N 1.41 1.15 0.00 5.12 2.12 -1.19 0.05 118.70 127.35 1nvp s GLU 83 Ca 0.05 -0.16 0.00 0.00 0.36 0.00 0.00 54.97 55.22 1nvp s GLU 83 Cb -0.14 -1.19 0.00 0.00 0.26 0.00 0.00 34.13 33.06 1nvp s GLU 83 CO -0.04 -0.16 0.00 0.28 -0.54 0.00 0.00 175.26 174.80 1nvp n VAL 84 N 4.50 0.00 -0.31 3.70 0.31 -1.26 0.98 118.33 126.25 1nvp n VAL 84 Ca -0.17 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.16 1nvp n VAL 84 Cb 0.51 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 33.43 1nvp n VAL 84 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1nvp n THR 85 N -0.41 1.22 -4.44 2.52 -2.24 -1.26 -4.92 114.28 104.75 1nvp n THR 85 Ca 0.00 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 1nvp n THR 85 Cb 0.00 -1.32 0.00 0.00 -2.10 0.00 0.00 70.33 66.91 1nvp n THR 85 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1nvp n GLU 86 N 1.73 0.00 -1.59 -0.78 0.00 0.27 -5.04 120.64 115.24 1nvp n GLU 86 Ca 0.01 0.00 -0.46 0.00 0.00 0.00 0.00 57.16 56.71 1nvp n GLU 86 Cb 0.31 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 31.72 1nvp n GLU 86 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 1nvp n LEU 87 N 0.00 1.70 -3.45 4.31 7.94 -1.26 -3.17 117.00 123.08 1nvp n LEU 87 Ca 0.00 1.16 -0.16 0.00 -1.11 0.00 0.00 56.01 55.90 1nvp n LEU 87 Cb 0.00 -1.26 -0.11 0.00 0.53 0.00 0.00 43.42 42.57 1nvp n LEU 87 CO 0.00 -1.35 -0.16 -0.63 -1.11 0.00 0.00 177.39 174.14 1nvp s ILE 88 N -0.68 -0.40 -0.09 1.96 1.01 -0.94 -5.01 121.20 117.05 1nvp s ILE 88 Ca 0.65 -0.15 -0.01 0.00 0.00 0.00 0.00 60.65 61.14 1nvp s ILE 88 Cb -0.76 -0.75 -0.03 0.00 0.01 0.00 0.00 42.46 40.94 1nvp s ILE 88 CO 0.56 -0.21 -0.04 -0.54 0.00 0.00 0.00 174.94 174.71 1nvp s LYS 89 N 2.39 2.96 -0.02 2.79 1.02 -1.26 -0.56 119.74 127.06 1nvp s LYS 89 Ca 0.09 -0.50 -0.03 0.00 0.02 0.00 0.00 55.97 55.55 1nvp s LYS 89 Cb -0.15 -2.71 0.00 0.00 -0.52 0.00 0.00 37.83 34.45 1nvp s LYS 89 CO -0.15 0.62 0.08 0.54 -0.92 0.00 0.00 175.35 175.51 1nvp s VAL 90 N -0.66 0.02 0.20 3.17 0.11 -0.78 -5.02 120.40 117.44 1nvp s VAL 90 Ca 0.10 -0.19 0.12 0.00 -2.93 0.00 0.00 61.98 59.09 1nvp s VAL 90 Cb -0.12 -0.18 -0.01 0.00 -1.53 0.00 0.00 36.38 34.55 1nvp s VAL 90 CO 0.02 -0.10 1.59 0.44 -3.33 0.00 0.00 175.10 173.71 1nvp h ASP 91 N 5.65 0.00 -3.84 3.54 5.19 -1.94 0.12 116.42 125.15 1nvp h ASP 91 Ca -0.26 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.08 1nvp h ASP 91 Cb 1.20 0.00 -0.22 0.00 0.18 0.00 0.00 39.33 40.49 1nvp h ASP 91 CO 0.44 0.60 -0.02 -0.75 -3.12 0.00 0.00 179.24 176.40 1nvp s LYS 92 N -3.45 0.69 -0.08 3.56 2.20 -1.26 -0.95 119.74 120.44 1nvp s LYS 92 Ca -0.00 0.87 -0.06 0.00 -0.36 0.00 0.00 55.97 56.42 1nvp s LYS 92 Cb 0.12 0.31 0.03 0.00 -1.51 0.00 0.00 37.83 36.77 1nvp s LYS 92 CO 0.75 -0.09 0.21 0.54 -0.36 0.00 0.00 175.35 176.40 1nvp s VAL 93 N 0.49 -0.02 -0.18 4.02 0.11 -0.61 -5.00 120.40 119.21 1nvp s VAL 93 Ca -0.01 0.07 -0.05 0.00 -2.93 0.00 0.00 61.98 59.05 1nvp s VAL 93 Cb -0.04 -0.31 -0.03 0.00 -1.53 0.00 0.00 36.38 34.46 1nvp s VAL 93 CO -0.02 0.03 0.01 -0.75 -3.33 0.00 0.00 175.10 171.04 1nvp s LYS 94 N 0.58 3.76 -0.19 1.54 2.20 -1.26 -0.94 119.74 125.43 1nvp s LYS 94 Ca -0.04 -0.46 0.01 0.00 -0.36 0.00 0.00 55.97 55.12 1nvp s LYS 94 Cb -0.05 -3.06 0.02 0.00 -1.51 0.00 0.00 37.83 33.23 1nvp s LYS 94 CO -0.03 0.19 -0.18 0.42 -0.36 0.00 0.00 175.35 175.39 1nvp s ILE 95 N 0.54 2.18 -0.18 5.43 1.01 -0.41 -4.97 121.20 124.80 1nvp s ILE 95 Ca -0.00 -0.97 -0.04 0.00 0.00 0.00 0.00 60.65 59.64 1nvp s ILE 95 Cb -0.14 -1.96 -0.02 0.00 0.01 0.00 0.00 42.46 40.35 1nvp s ILE 95 CO 0.02 0.48 -0.03 -0.69 0.00 0.00 0.00 174.94 174.71 1nvp s VAL 96 N 1.29 3.78 -0.06 2.92 1.01 -1.26 -0.18 120.40 127.89 1nvp s VAL 96 Ca 0.04 -0.39 -0.00 0.00 0.00 0.00 0.00 61.98 61.63 1nvp s VAL 96 Cb -0.14 -2.67 0.03 0.00 0.00 0.00 0.00 36.38 33.59 1nvp s VAL 96 CO -0.11 0.46 -0.01 0.00 0.00 0.00 0.00 175.10 175.44 1nvp s ALA 97 N 0.71 0.64 0.36 5.51 0.00 0.12 -5.00 121.76 124.09 1nvp s ALA 97 Ca -0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 51.96 51.87 1nvp s ALA 97 Cb -0.14 -0.58 -0.04 0.00 0.00 0.00 0.00 23.12 22.35 1nvp s ALA 97 CO 0.02 -0.27 0.58 0.00 0.00 0.00 0.00 175.76 176.09