#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ivp n LYS 4 N 0.00 0.38 0.00 1.97 0.00 -1.26 -4.17 118.16 115.08 3ivp n LYS 4 Ca 0.00 0.14 0.01 0.00 -0.00 0.00 0.00 58.31 58.46 3ivp n LYS 4 Cb 0.00 -1.19 0.08 0.00 -0.00 0.00 0.00 35.03 33.92 3ivp n LYS 4 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 3ivp n GLU 5 N -3.47 0.13 -0.00 -1.58 0.00 -1.26 -0.95 120.64 113.50 3ivp n GLU 5 Ca -0.32 0.00 0.05 0.00 0.00 0.00 0.00 57.16 56.89 3ivp n GLU 5 Cb 0.77 -1.33 -0.08 0.00 0.00 0.00 0.00 31.44 30.79 3ivp n GLU 5 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3ivp n ASP 6 N -0.83 2.32 -4.74 -1.84 8.00 -1.26 -5.01 116.55 113.18 3ivp n ASP 6 Ca 0.02 -0.08 -0.37 0.00 0.71 0.00 0.00 54.79 55.08 3ivp n ASP 6 Cb 0.01 1.45 -0.07 0.00 -0.02 0.00 0.00 41.12 42.49 3ivp n ASP 6 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3ivp s LYS 7 N -2.68 4.24 0.12 -1.24 2.20 -0.12 -5.03 119.74 117.23 3ivp s LYS 7 Ca -0.03 0.23 -0.31 0.00 -0.36 0.00 0.00 55.97 55.50 3ivp s LYS 7 Cb 0.07 -3.41 -0.10 0.00 -1.51 0.00 0.00 37.83 32.88 3ivp s LYS 7 CO 0.45 0.26 1.75 -0.47 -0.36 0.00 0.00 175.35 176.98 3ivp s TYR 8 N 0.37 2.35 -0.67 4.03 5.04 -1.26 -4.95 117.35 122.26 3ivp s TYR 8 Ca 0.20 0.15 -0.26 0.00 -2.44 0.00 0.00 57.07 54.72 3ivp s TYR 8 Cb -0.14 -4.10 0.04 0.00 0.35 0.00 0.00 41.96 38.11 3ivp s TYR 8 CO 0.07 -4.43 1.17 0.34 -1.34 0.00 0.00 175.55 171.35 3ivp s ASP 9 N 2.39 6.25 0.00 4.32 -1.08 -1.26 -4.89 116.67 122.39 3ivp s ASP 9 Ca 0.78 -0.41 0.20 0.00 -0.52 0.00 0.00 52.55 52.60 3ivp s ASP 9 Cb -0.44 -2.52 0.95 0.00 -1.46 0.00 0.00 42.92 39.45 3ivp s ASP 9 CO 0.34 -1.62 1.65 0.33 0.52 0.00 0.00 175.17 176.39 3ivp n PHE 10 N 8.66 0.00 0.00 -5.34 7.35 -1.26 -4.24 117.46 122.63 3ivp n PHE 10 Ca 0.03 0.00 0.03 0.00 -0.76 0.00 0.00 57.45 56.75 3ivp n PHE 10 Cb 0.48 -0.40 0.39 0.00 0.35 0.00 0.00 39.48 40.30 3ivp n PHE 10 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3ivp h ARG 11 N 0.00 0.52 -0.04 -4.13 3.08 -1.90 0.13 114.38 112.05 3ivp h ARG 11 Ca 0.00 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 3ivp h ARG 11 Cb 0.27 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 3ivp h ARG 11 CO 0.00 0.41 -0.05 0.00 -1.07 0.00 0.00 179.97 179.26 3ivp h ALA 12 N 1.67 0.06 -0.64 0.04 0.00 -1.97 -1.48 119.26 116.93 3ivp h ALA 12 Ca 0.13 -0.28 0.05 0.00 0.00 0.00 0.00 54.91 54.80 3ivp h ALA 12 Cb 0.06 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 3ivp h ALA 12 CO -0.02 -0.14 0.37 1.25 0.00 0.00 0.00 179.25 180.71 3ivp h LEU 13 N -0.38 0.57 -0.61 0.00 5.85 -1.76 -1.04 115.31 117.93 3ivp h LEU 13 Ca 0.00 0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.85 3ivp h LEU 13 Cb 0.58 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.43 3ivp h LEU 13 CO 0.01 0.38 0.18 1.23 -0.34 0.00 0.00 178.44 179.91 3ivp h GLY 14 N 0.70 0.83 1.15 3.75 0.00 -0.73 -1.21 103.07 107.57 3ivp h GLY 14 Ca 0.27 -0.07 -0.16 0.00 0.00 0.00 0.00 47.33 47.37 3ivp h GLY 14 CO -0.15 -0.08 -0.37 -2.00 0.00 0.00 0.00 176.54 173.94 3ivp h LEU 15 N 0.33 0.99 -0.63 3.11 5.85 -0.87 -1.93 115.31 122.15 3ivp h LEU 15 Ca 0.32 -0.45 0.07 0.00 0.84 0.00 0.00 57.88 58.67 3ivp h LEU 15 Cb 0.45 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 41.14 3ivp h LEU 15 CO -0.36 1.24 0.31 0.00 -0.34 0.00 0.00 178.44 179.29 3ivp h ALA 16 N 0.80 0.85 -0.38 1.25 0.00 -0.87 0.26 119.26 121.18 3ivp h ALA 16 Ca 0.06 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.03 3ivp h ALA 16 Cb 0.96 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 3ivp h ALA 16 CO 0.09 -0.06 0.22 0.82 0.00 0.00 0.00 179.25 180.32 3ivp h ILE 17 N 0.56 1.04 -0.44 0.00 2.04 -1.10 0.28 117.51 119.89 3ivp h ILE 17 Ca 0.30 -0.15 -0.05 0.00 1.00 0.00 0.00 64.86 65.96 3ivp h ILE 17 Cb 0.27 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 3ivp h ILE 17 CO -0.23 0.08 0.09 0.50 0.00 0.00 0.00 178.15 178.59 3ivp h LYS 18 N 0.45 0.71 -0.36 2.37 3.64 -1.02 0.33 116.57 122.69 3ivp h LYS 18 Ca 0.15 -0.18 -0.11 0.00 -1.27 0.00 0.00 60.65 59.24 3ivp h LYS 18 Cb 0.00 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 3ivp h LYS 18 CO -0.07 0.73 -0.22 0.93 -2.27 0.00 0.00 179.45 178.55 3ivp h GLU 19 N 0.58 0.71 -0.21 1.90 4.39 -0.22 -1.30 114.58 120.43 3ivp h GLU 19 Ca 0.13 -0.28 -0.03 0.00 0.34 0.00 0.00 59.36 59.52 3ivp h GLU 19 Cb 0.35 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 3ivp h GLU 19 CO 0.01 0.87 0.01 0.00 -1.16 0.00 0.00 179.01 178.73 3ivp h ALA 20 N 1.13 0.28 -0.74 3.43 0.00 -0.57 0.20 119.26 122.99 3ivp h ALA 20 Ca 0.09 -0.20 0.13 0.00 0.00 0.00 0.00 54.91 54.93 3ivp h ALA 20 Cb 0.71 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.33 3ivp h ALA 20 CO 0.05 -0.01 0.30 -0.09 0.00 0.00 0.00 179.25 179.50 3ivp h ARG 21 N 0.13 0.44 -0.09 0.00 2.43 -0.66 0.14 114.38 116.77 3ivp h ARG 21 Ca 0.06 -0.03 -0.18 0.00 -0.81 0.00 0.00 59.98 59.02 3ivp h ARG 21 Cb 0.38 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.83 3ivp h ARG 21 CO 0.01 0.29 -0.71 0.87 -1.51 0.00 0.00 179.97 178.92 3ivp h LYS 22 N 0.46 0.45 0.00 0.20 1.57 -1.09 -1.65 116.57 116.51 3ivp h LYS 22 Ca 0.40 -0.35 -0.08 0.00 -1.87 0.00 0.00 60.65 58.75 3ivp h LYS 22 Cb 0.58 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 3ivp h LYS 22 CO -0.38 0.99 -0.37 -0.22 -0.57 0.00 0.00 179.45 178.89 3ivp h LYS 23 N 0.31 0.00 -0.12 3.15 3.64 0.06 -2.61 116.57 120.99 3ivp h LYS 23 Ca -0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3ivp h LYS 23 Cb 1.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 3ivp h LYS 23 CO 0.12 0.37 0.00 1.04 -2.27 0.00 0.00 179.45 178.72 3ivp n GLN 24 N -4.04 1.70 -1.43 1.90 6.02 0.40 -4.92 117.38 117.02 3ivp n GLN 24 Ca -0.02 -1.05 -0.09 0.00 -0.01 0.00 0.00 57.00 55.83 3ivp n GLN 24 Cb 0.41 -1.42 -0.03 0.00 1.02 0.00 0.00 30.24 30.22 3ivp n GLN 24 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ivp n GLY 25 N 1.14 0.90 3.81 1.08 0.00 -0.98 -5.03 105.19 106.11 3ivp n GLY 25 Ca 0.17 -0.59 -0.38 0.00 0.00 0.00 0.00 46.02 45.22 3ivp n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ivp s LEU 26 N -2.22 4.45 0.66 0.99 1.02 -0.64 -5.03 118.68 117.90 3ivp s LEU 26 Ca 0.00 0.95 -0.08 0.00 0.02 0.00 0.00 54.13 55.02 3ivp s LEU 26 Cb 0.00 -2.62 0.02 0.00 0.02 0.00 0.00 46.19 43.62 3ivp s LEU 26 CO 0.00 0.27 0.99 0.42 0.02 0.00 0.00 176.35 178.05 3ivp s THR 27 N -0.80 3.29 0.31 5.49 -4.23 -1.26 -4.51 115.64 113.93 3ivp s THR 27 Ca 0.24 0.10 -0.00 0.00 -1.18 0.00 0.00 61.69 60.85 3ivp s THR 27 Cb -0.17 -3.36 0.23 0.00 1.34 0.00 0.00 72.50 70.55 3ivp s THR 27 CO 0.13 -0.41 1.95 0.03 -0.54 0.00 0.00 174.62 175.77 3ivp h ARG 28 N -0.44 0.91 -0.65 3.99 3.08 -1.98 -2.11 114.38 117.19 3ivp h ARG 28 Ca -0.45 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 59.48 3ivp h ARG 28 Cb 1.27 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 31.10 3ivp h ARG 28 CO 0.62 0.66 0.29 0.93 -1.07 0.00 0.00 179.97 181.40 3ivp h GLU 29 N 0.92 0.93 -0.05 0.04 3.07 -1.94 -0.50 114.58 117.06 3ivp h GLU 29 Ca 0.24 -0.13 -0.01 0.00 -0.50 0.00 0.00 59.36 58.95 3ivp h GLU 29 Cb 0.00 -0.17 -0.00 0.00 -0.84 0.00 0.00 28.75 27.74 3ivp h GLU 29 CO -0.04 0.73 -0.02 1.96 -1.40 0.00 0.00 179.01 180.23 3ivp h GLN 30 N 0.92 0.10 -0.73 2.33 4.20 -1.78 -1.67 115.11 118.47 3ivp h GLN 30 Ca 0.22 -0.04 0.07 0.00 0.06 0.00 0.00 58.65 58.95 3ivp h GLN 30 Cb 0.12 -0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.84 3ivp h GLN 30 CO -0.03 0.49 0.42 0.28 -0.67 0.00 0.00 178.83 179.33 3ivp h VAL 31 N -0.29 0.97 -0.59 -0.54 2.07 -1.28 -2.57 116.25 114.02 3ivp h VAL 31 Ca 0.01 -0.26 -0.07 0.00 0.82 0.00 0.00 66.70 67.20 3ivp h VAL 31 Cb 0.46 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 3ivp h VAL 31 CO 0.01 0.14 0.10 1.23 0.02 0.00 0.00 177.57 179.06 3ivp h GLY 32 N 0.76 1.02 -1.69 2.17 0.00 -1.05 -0.77 103.07 103.52 3ivp h GLY 32 Ca 0.33 -0.65 0.00 0.00 0.00 0.00 0.00 47.33 47.01 3ivp h GLY 32 CO -0.19 0.60 0.00 0.00 0.00 0.00 0.00 176.54 176.95 3ivp n ALA 33 N -2.47 1.91 0.00 3.60 0.00 -0.63 0.09 120.51 123.01 3ivp n ALA 33 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3ivp n ALA 33 Cb 0.27 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.72 3ivp n ALA 33 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3ivp n ILE 35 N 0.60 0.00 -2.88 0.00 -5.35 -0.29 -4.93 119.36 106.51 3ivp n ILE 35 Ca 0.00 0.00 -0.10 0.00 -0.27 0.00 0.00 62.75 62.38 3ivp n ILE 35 Cb 0.21 -0.27 0.04 0.00 -1.74 0.00 0.00 39.64 37.87 3ivp n ILE 35 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3ivp n GLU 36 N -0.05 -3.36 -4.33 6.28 -0.58 0.11 -5.04 120.64 113.67 3ivp n GLU 36 Ca 0.00 0.37 -0.26 0.00 -0.42 0.00 0.00 57.16 56.85 3ivp n GLU 36 Cb 0.00 -4.00 -0.13 0.00 -0.57 0.00 0.00 31.44 26.74 3ivp n GLU 36 CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 3ivp s ILE 37 N -3.15 1.92 0.11 -3.67 -4.36 -0.74 -5.08 121.20 106.23 3ivp s ILE 37 Ca 0.18 -1.64 -0.31 0.00 -0.26 0.00 0.00 60.65 58.63 3ivp s ILE 37 Cb -0.08 -1.73 -0.10 0.00 1.25 0.00 0.00 42.46 41.80 3ivp s ILE 37 CO 0.32 -0.01 1.75 -0.62 0.24 0.00 0.00 174.94 176.62 3ivp s ASP 38 N -1.99 6.50 0.63 4.36 -1.08 -1.26 -4.32 116.67 119.51 3ivp s ASP 38 Ca 0.10 2.65 0.31 0.00 -0.52 0.00 0.00 52.55 55.08 3ivp s ASP 38 Cb -0.10 -2.57 1.67 0.00 -1.46 0.00 0.00 42.92 40.47 3ivp s ASP 38 CO 0.05 -0.95 1.99 -0.65 0.52 0.00 0.00 175.17 176.13 3ivp h PRO 39 N 8.38 0.00 -0.00 4.34 0.11 -1.93 -1.11 132.00 141.78 3ivp h PRO 39 Ca -0.44 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.45 3ivp h PRO 39 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 3ivp h PRO 39 CO 0.94 0.00 -0.91 0.00 -0.21 0.00 0.00 178.00 177.82 3ivp h ARG 40 N 0.00 0.34 -0.50 1.05 3.08 -1.95 -1.92 114.38 114.49 3ivp h ARG 40 Ca 0.07 -0.36 -0.10 0.00 0.07 0.00 0.00 59.98 59.65 3ivp h ARG 40 Cb 0.69 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.83 3ivp h ARG 40 CO -0.00 1.05 -0.08 -0.92 -1.07 0.00 0.00 179.97 178.95 3ivp h TYR 41 N 0.20 1.03 -0.38 3.04 3.20 -1.62 -2.60 116.97 119.83 3ivp h TYR 41 Ca -0.07 -0.21 0.06 0.00 3.14 0.00 0.00 58.73 61.66 3ivp h TYR 41 Cb 1.54 -0.26 -0.05 0.00 1.54 0.00 0.00 36.73 39.49 3ivp h TYR 41 CO 0.05 0.98 0.06 1.25 -1.64 0.00 0.00 178.16 178.86 3ivp h LEU 42 N 0.78 -0.03 -0.56 2.82 5.85 -1.28 -1.26 115.31 121.63 3ivp h LEU 42 Ca 0.13 0.07 0.10 0.00 0.84 0.00 0.00 57.88 59.02 3ivp h LEU 42 Cb 0.62 0.11 -0.08 0.00 0.37 0.00 0.00 40.66 41.68 3ivp h LEU 42 CO 0.04 0.02 0.12 0.74 -0.34 0.00 0.00 178.44 179.02 3ivp h THR 43 N 0.18 0.67 -0.55 1.05 2.02 -1.22 -0.99 112.91 114.06 3ivp h THR 43 Ca 0.19 -0.09 -0.09 0.00 0.77 0.00 0.00 66.41 67.19 3ivp h THR 43 Cb 0.23 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 3ivp h THR 43 CO -0.26 0.05 -0.01 0.78 0.37 0.00 0.00 175.52 176.44 3ivp h ASN 44 N 0.25 0.97 -0.60 4.18 2.35 -1.05 0.21 115.58 121.89 3ivp h ASN 44 Ca 0.29 -0.31 0.01 0.00 -0.55 0.00 0.00 56.30 55.74 3ivp h ASN 44 Cb 0.42 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.49 3ivp h ASN 44 CO -0.37 1.05 0.39 0.40 -1.65 0.00 0.00 177.43 177.25 3ivp h ILE 45 N 0.87 1.14 0.04 2.81 2.04 -0.87 -0.45 117.51 123.09 3ivp h ILE 45 Ca 0.16 -0.27 -0.25 0.00 1.00 0.00 0.00 64.86 65.49 3ivp h ILE 45 Cb 0.56 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 3ivp h ILE 45 CO 0.03 0.15 -1.27 -0.33 0.00 0.00 0.00 178.15 176.72 3ivp h GLU 46 N 0.80 0.09 0.00 2.37 5.08 -0.99 -3.36 114.58 118.57 3ivp h GLU 46 Ca 0.23 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 3ivp h GLU 46 Cb -0.07 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 3ivp h GLU 46 CO -0.06 0.96 -1.59 0.09 -1.00 0.00 0.00 179.01 177.41 3ivp n ASN 47 N -3.34 2.10 -0.08 1.42 5.03 0.05 -3.84 115.26 116.59 3ivp n ASN 47 Ca -0.08 0.00 0.01 0.00 0.87 0.00 0.00 54.58 55.39 3ivp n ASN 47 Cb 0.99 1.56 0.02 0.00 -1.02 0.00 0.00 39.78 41.33 3ivp n ASN 47 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3ivp n LYS 48 N -1.96 1.25 -1.67 3.52 4.76 -0.20 -5.00 118.16 118.86 3ivp n LYS 48 Ca -0.03 -1.22 -0.18 0.00 -2.87 0.00 0.00 58.31 54.02 3ivp n LYS 48 Cb 0.35 -0.82 -0.06 0.00 -1.84 0.00 0.00 35.03 32.66 3ivp n LYS 48 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3ivp n GLY 49 N -0.38 1.34 3.69 0.72 0.00 -1.10 -4.96 105.19 104.50 3ivp n GLY 49 Ca 0.02 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 3ivp n GLY 49 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3ivp s GLN 50 N -3.77 4.25 -0.07 1.61 2.00 -1.14 -4.53 119.66 118.02 3ivp s GLN 50 Ca 0.00 2.13 -0.30 0.00 -2.00 0.00 0.00 55.36 55.19 3ivp s GLN 50 Cb 0.00 -3.57 -0.04 0.00 0.80 0.00 0.00 33.01 30.21 3ivp s GLN 50 CO 0.00 -0.64 1.32 -1.01 -0.50 0.00 0.00 175.29 174.46 3ivp s HIS 51 N 2.44 2.89 0.67 1.67 3.76 -1.26 -4.32 115.29 121.13 3ivp s HIS 51 Ca 0.68 0.95 -0.12 0.00 -0.15 0.00 0.00 55.06 56.42 3ivp s HIS 51 Cb -0.35 -3.56 -0.00 0.00 1.11 0.00 0.00 32.58 29.78 3ivp s HIS 51 CO 0.29 -1.98 1.06 -1.25 -0.85 0.00 0.00 174.74 172.01 3ivp s PRO 52 N 2.78 2.98 1.02 8.40 0.04 -1.26 -5.04 135.00 143.92 3ivp s PRO 52 Ca 0.59 1.07 -0.13 0.00 0.04 0.00 0.00 61.00 62.57 3ivp s PRO 52 Cb -0.27 -1.99 0.14 0.00 0.04 0.00 0.00 34.50 32.42 3ivp s PRO 52 CO 0.22 -1.07 0.70 -1.13 0.04 0.00 0.00 177.00 175.76 3ivp n SER 53 N -2.80 -1.29 -0.27 6.66 3.41 -1.26 -4.74 113.62 113.32 3ivp n SER 53 Ca 0.08 0.18 -0.02 0.00 -0.26 0.00 0.00 58.87 58.85 3ivp n SER 53 Cb 0.53 -1.26 0.10 0.00 -0.26 0.00 0.00 64.21 63.31 3ivp n SER 53 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3ivp h LEU 54 N -1.99 0.78 -0.28 1.04 6.46 -1.98 0.13 115.31 119.47 3ivp h LEU 54 Ca -0.49 0.00 0.06 0.00 -0.12 0.00 0.00 57.88 57.34 3ivp h LEU 54 Cb 1.30 -0.16 -0.06 0.00 -0.73 0.00 0.00 40.66 41.01 3ivp h LEU 54 CO 0.40 0.53 -0.11 -0.61 -0.62 0.00 0.00 178.44 178.03 3ivp h GLN 55 N 0.92 -0.06 -0.12 1.25 5.75 -1.99 0.21 115.11 121.07 3ivp h GLN 55 Ca 0.31 0.00 -0.22 0.00 -0.15 0.00 0.00 58.65 58.59 3ivp h GLN 55 Cb 0.05 0.01 0.01 0.00 1.07 0.00 0.00 27.48 28.62 3ivp h GLN 55 CO -0.12 -0.04 -0.81 0.28 -2.65 0.00 0.00 178.83 175.48 3ivp h VAL 56 N -0.07 1.30 -0.36 2.39 2.07 -1.82 0.11 116.25 119.87 3ivp h VAL 56 Ca 0.14 -2.05 0.07 0.00 0.82 0.00 0.00 66.70 65.68 3ivp h VAL 56 Cb 0.28 2.06 -0.09 0.00 -1.52 0.00 0.00 31.29 32.03 3ivp h VAL 56 CO -0.32 0.64 -0.34 0.25 0.02 0.00 0.00 177.57 177.82 3ivp h LEU 57 N 0.47 -1.13 -0.28 2.57 5.85 -0.60 0.02 115.31 122.21 3ivp h LEU 57 Ca -0.06 0.19 0.04 0.00 0.84 0.00 0.00 57.88 58.89 3ivp h LEU 57 Cb 1.43 0.51 -0.04 0.00 0.37 0.00 0.00 40.66 42.93 3ivp h LEU 57 CO 0.16 -0.33 0.02 0.22 -0.34 0.00 0.00 178.44 178.17 3ivp h TYR 58 N -0.29 0.03 -0.83 1.25 3.20 -0.76 -1.50 116.97 118.07 3ivp h TYR 58 Ca 0.16 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.01 3ivp h TYR 58 Cb 0.55 0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.81 3ivp h TYR 58 CO -0.53 -0.02 0.38 -0.44 -1.64 0.00 0.00 178.16 175.91 3ivp h ASP 59 N 0.12 1.09 0.08 -2.11 3.32 -0.48 -1.00 116.42 117.44 3ivp h ASP 59 Ca 0.13 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 3ivp h ASP 59 Cb 0.16 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.43 3ivp h ASP 59 CO -0.20 0.93 -0.04 -0.07 -1.72 0.00 0.00 179.24 178.14 3ivp h LEU 60 N 1.18 -0.09 0.00 1.55 3.38 -0.53 -0.90 115.31 119.90 3ivp h LEU 60 Ca 0.28 -0.11 -0.15 0.00 0.09 0.00 0.00 57.88 57.99 3ivp h LEU 60 Cb 0.14 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3ivp h LEU 60 CO -0.03 0.05 -0.81 -0.37 0.09 0.00 0.00 178.44 177.37 3ivp h VAL 61 N -0.23 1.12 -0.09 1.22 -1.51 -1.11 -0.22 116.25 115.42 3ivp h VAL 61 Ca -0.01 -2.63 -0.20 0.00 -1.23 0.00 0.00 66.70 62.63 3ivp h VAL 61 Cb 0.20 2.53 0.00 0.00 -2.13 0.00 0.00 31.29 31.89 3ivp h VAL 61 CO 0.02 0.64 -0.77 0.77 -1.23 0.00 0.00 177.57 177.00 3ivp h SER 62 N 0.00 0.62 -0.58 4.19 4.64 -1.27 0.80 113.55 121.95 3ivp h SER 62 Ca -0.03 -0.41 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3ivp h SER 62 Cb 1.56 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 63.44 3ivp h SER 62 CO 0.09 1.18 0.37 0.25 -0.87 0.00 0.00 176.83 177.84 3ivp h LEU 63 N 0.34 0.68 -0.23 5.97 5.85 -0.94 -3.26 115.31 123.71 3ivp h LEU 63 Ca -0.04 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.65 3ivp h LEU 63 Cb 1.36 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.23 3ivp h LEU 63 CO 0.14 0.51 -0.83 0.18 -0.34 0.00 0.00 178.44 178.10 3ivp n LEU 64 N -4.67 1.18 -3.24 2.25 4.77 -0.11 -5.00 117.00 112.18 3ivp n LEU 64 Ca 0.04 -0.51 -0.16 0.00 -0.03 0.00 0.00 56.01 55.35 3ivp n LEU 64 Cb 0.03 -0.02 0.08 0.00 -2.33 0.00 0.00 43.42 41.18 3ivp n LEU 64 CO 0.36 0.27 0.11 -3.20 -1.33 0.00 0.00 177.39 173.60 3ivp n ASN 65 N -1.16 -2.46 -4.74 -1.43 5.15 0.27 -4.94 115.26 105.95 3ivp n ASN 65 Ca 0.05 -0.56 -0.35 0.00 -0.60 0.00 0.00 54.58 53.12 3ivp n ASN 65 Cb 0.36 -4.75 -0.08 0.00 -0.53 0.00 0.00 39.78 34.79 3ivp n ASN 65 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3ivp s VAL 66 N -3.33 5.27 -0.37 3.44 1.01 -0.60 -5.04 120.40 120.78 3ivp s VAL 66 Ca 0.06 0.13 -0.29 0.00 0.00 0.00 0.00 61.98 61.88 3ivp s VAL 66 Cb -0.02 -3.37 0.01 0.00 0.00 0.00 0.00 36.38 33.00 3ivp s VAL 66 CO 0.67 0.49 1.28 -0.55 0.00 0.00 0.00 175.10 176.99 3ivp s SER 67 N 0.03 6.59 0.17 3.32 0.15 -1.26 -4.80 113.70 117.90 3ivp s SER 67 Ca 0.09 0.93 -0.05 0.00 0.70 0.00 0.00 55.95 57.62 3ivp s SER 67 Cb -0.11 -2.54 0.03 0.00 -1.71 0.00 0.00 66.02 61.69 3ivp s SER 67 CO -0.00 -1.20 1.45 0.58 1.20 0.00 0.00 173.24 175.26 3ivp h VAL 68 N 6.14 1.32 -0.67 4.45 2.07 -1.97 -3.30 116.25 124.30 3ivp h VAL 68 Ca -0.25 -1.90 0.14 0.00 0.82 0.00 0.00 66.70 65.51 3ivp h VAL 68 Cb 1.09 1.86 -0.04 0.00 -1.52 0.00 0.00 31.29 32.68 3ivp h VAL 68 CO 1.07 0.59 0.45 0.44 0.02 0.00 0.00 177.57 180.14 3ivp h ASP 69 N 0.44 0.28 -0.07 0.57 3.32 -1.96 0.13 116.42 119.14 3ivp h ASP 69 Ca -0.01 0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.06 3ivp h ASP 69 Cb 1.20 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.70 3ivp h ASP 69 CO 0.12 0.15 0.05 -0.08 -1.72 0.00 0.00 179.24 177.76 3ivp h GLU 70 N 0.30 0.06 0.00 3.56 4.81 -1.85 -1.13 114.58 120.34 3ivp h GLU 70 Ca 0.32 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.55 3ivp h GLU 70 Cb 0.83 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.20 3ivp h GLU 70 CO -0.08 0.04 -0.91 1.19 -0.73 0.00 0.00 179.01 178.52 3ivp n PHE 71 N -4.53 0.00 -0.06 0.92 3.01 0.27 -4.53 117.46 112.55 3ivp n PHE 71 Ca -0.02 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.43 3ivp n PHE 71 Cb 0.10 -0.09 -0.15 0.00 -0.01 0.00 0.00 39.48 39.33 3ivp n PHE 71 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 3ivp n PHE 72 N -1.50 0.00 -4.62 1.38 3.01 -0.09 -5.00 117.46 110.64 3ivp n PHE 72 Ca 0.01 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.16 3ivp n PHE 72 Cb 0.24 -0.73 -0.12 0.00 -0.01 0.00 0.00 39.48 38.86 3ivp n PHE 72 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3ivp s LEU 73 N -4.97 2.62 0.12 4.37 1.43 -0.44 -5.05 118.68 116.77 3ivp s LEU 73 Ca -0.08 -0.44 -0.31 0.00 -1.03 0.00 0.00 54.13 52.26 3ivp s LEU 73 Cb 0.09 -1.52 -0.09 0.00 0.03 0.00 0.00 46.19 44.69 3ivp s LEU 73 CO 0.80 0.25 1.63 -2.16 0.23 0.00 0.00 176.35 177.10 3ivp s PRO 74 N -1.52 4.20 0.13 1.29 0.04 -1.26 -4.75 135.00 133.12 3ivp s PRO 74 Ca 0.15 2.37 -0.30 0.00 0.04 0.00 0.00 61.00 63.26 3ivp s PRO 74 Cb -0.10 -3.38 -0.07 0.00 0.04 0.00 0.00 34.50 30.99 3ivp s PRO 74 CO 0.06 -0.69 1.17 0.00 0.04 0.00 0.00 177.00 177.58 3ivp s ALA 75 N 1.93 3.40 0.00 8.56 0.00 -1.26 -4.98 121.76 129.40 3ivp s ALA 75 Ca 0.73 0.87 0.00 0.00 0.00 0.00 0.00 51.96 53.55 3ivp s ALA 75 Cb -0.42 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.28 3ivp s ALA 75 CO 0.32 -0.36 0.00 0.45 0.00 0.00 0.00 175.76 176.17 3ivp n SER 76 N 3.12 0.00 -3.91 0.00 2.88 -1.26 -5.01 113.62 109.45 3ivp n SER 76 Ca 0.06 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.30 3ivp n SER 76 Cb 0.46 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.93 3ivp n SER 76 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3ivp n SER 77 N -0.70 -2.80 0.00 -3.46 3.41 -1.26 -4.92 113.62 103.89 3ivp n SER 77 Ca 0.00 -0.86 0.00 0.00 -0.26 0.00 0.00 58.87 57.75 3ivp n SER 77 Cb 0.00 -1.06 0.00 0.00 -0.26 0.00 0.00 64.21 62.89 3ivp n SER 77 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ivp n GLN 78 N -3.53 0.00 -2.39 4.33 10.64 -1.26 -4.78 117.38 120.39 3ivp n GLN 78 Ca -0.09 0.06 -0.37 0.00 -1.83 0.00 0.00 57.00 54.77 3ivp n GLN 78 Cb 0.39 -0.45 -0.02 0.00 -0.86 0.00 0.00 30.24 29.29 3ivp n GLN 78 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 3ivp s VAL 79 N -0.75 3.90 0.00 -0.39 1.01 -1.26 -4.83 120.40 118.09 3ivp s VAL 79 Ca 0.00 -1.55 -0.02 0.00 0.00 0.00 0.00 61.98 60.42 3ivp s VAL 79 Cb 0.00 -4.97 -0.07 0.00 0.00 0.00 0.00 36.38 31.34 3ivp s VAL 79 CO 0.00 -1.64 1.58 1.17 0.00 0.00 0.00 175.10 176.21 3ivp n LYS 80 N 8.35 0.77 -1.58 2.72 3.00 -1.26 -4.89 118.16 125.28 3ivp n LYS 80 Ca 0.47 -0.27 -0.53 0.00 -0.00 0.00 0.00 58.31 57.98 3ivp n LYS 80 Cb 0.46 -1.52 -0.06 0.00 0.00 0.00 0.00 35.03 33.91 3ivp n LYS 80 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 3ivp n SER 81 N 2.29 1.37 -0.25 3.14 2.88 -1.26 -4.70 113.62 117.09 3ivp n SER 81 Ca 0.12 1.13 0.05 0.00 -1.33 0.00 0.00 58.87 58.83 3ivp n SER 81 Cb 0.36 -1.14 0.28 0.00 -0.75 0.00 0.00 64.21 62.96 3ivp n SER 81 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 3ivp h THR 82 N 3.28 1.06 0.12 2.46 2.02 -1.99 0.57 112.91 120.43 3ivp h THR 82 Ca -0.48 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 66.37 3ivp h THR 82 Cb 1.35 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 3ivp h THR 82 CO 0.76 0.17 -0.06 0.50 0.37 0.00 0.00 175.52 177.26 3ivp h LYS 83 N 0.92 -0.16 -0.86 6.66 1.63 -1.99 -2.17 116.57 120.61 3ivp h LYS 83 Ca 0.35 0.01 0.01 0.00 -0.85 0.00 0.00 60.65 60.17 3ivp h LYS 83 Cb 0.20 0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 31.82 3ivp h LYS 83 CO -0.12 -0.01 0.56 -0.09 -3.45 0.00 0.00 179.45 176.34 3ivp h ARG 84 N -0.28 1.13 -0.12 1.90 2.43 -1.48 -1.76 114.38 116.21 3ivp h ARG 84 Ca -0.02 -0.07 0.05 0.00 -0.81 0.00 0.00 59.98 59.12 3ivp h ARG 84 Cb 0.23 -0.25 -0.06 0.00 -0.42 0.00 0.00 29.97 29.46 3ivp h ARG 84 CO 0.03 0.76 -0.32 0.00 -1.51 0.00 0.00 179.97 178.93 3ivp h ARG 85 N 1.17 -0.39 -0.63 0.20 3.08 0.12 -1.56 114.38 116.37 3ivp h ARG 85 Ca 0.31 0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.43 3ivp h ARG 85 Cb -0.12 0.09 -0.05 0.00 0.08 0.00 0.00 29.97 29.97 3ivp h ARG 85 CO -0.07 -0.26 0.36 1.96 -1.07 0.00 0.00 179.97 180.90 3ivp h GLN 86 N -0.40 0.67 -0.12 0.04 4.20 -0.94 -1.95 115.11 116.61 3ivp h GLN 86 Ca 0.09 -0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.78 3ivp h GLN 86 Cb 0.55 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 3ivp h GLN 86 CO -0.35 0.44 -0.01 1.25 -0.67 0.00 0.00 178.83 179.49 3ivp h LEU 87 N 0.69 -0.08 -1.03 1.46 5.85 -1.10 -2.13 115.31 118.98 3ivp h LEU 87 Ca 0.27 0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.94 3ivp h LEU 87 Cb 0.11 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 3ivp h LEU 87 CO -0.15 -0.02 -0.18 -0.33 -0.34 0.00 0.00 178.44 177.42 3ivp h GLU 88 N 0.02 0.49 -0.38 1.25 5.08 -0.97 -1.72 114.58 118.35 3ivp h GLU 88 Ca 0.06 -0.16 -0.09 0.00 -1.00 0.00 0.00 59.36 58.17 3ivp h GLU 88 Cb 0.07 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3ivp h GLU 88 CO -0.11 0.65 -0.12 -0.97 -1.00 0.00 0.00 179.01 177.46 3ivp h ASN 89 N 0.45 0.66 0.73 1.42 -0.73 -1.27 -2.30 115.58 114.54 3ivp h ASN 89 Ca 0.08 -0.19 -0.08 0.00 1.87 0.00 0.00 56.30 57.97 3ivp h ASN 89 Cb 0.57 -0.18 -0.01 0.00 0.27 0.00 0.00 38.32 38.97 3ivp h ASN 89 CO 0.04 0.81 -0.40 0.11 -0.37 0.00 0.00 177.43 177.62 3ivp h LYS 90 N 0.61 0.00 -0.48 6.67 1.57 -0.65 -3.19 116.57 121.11 3ivp h LYS 90 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3ivp h LYS 90 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 3ivp h LYS 90 CO 0.04 0.40 0.00 0.44 -0.57 0.00 0.00 179.45 179.76 3ivp n ILE 91 N -3.64 0.72 -0.16 1.86 -5.35 -0.73 -4.46 119.36 107.59 3ivp n ILE 91 Ca -0.01 -0.86 -0.02 0.00 -0.27 0.00 0.00 62.75 61.59 3ivp n ILE 91 Cb 0.50 0.77 0.07 0.00 -1.74 0.00 0.00 39.64 39.24 3ivp n ILE 91 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 3ivp h ASP 92 N 3.91 0.01 -0.61 7.28 3.32 -1.40 -2.43 116.42 126.50 3ivp h ASP 92 Ca 0.00 0.09 -0.24 0.00 0.02 0.00 0.00 57.03 56.90 3ivp h ASP 92 Cb 0.92 0.12 -0.14 0.00 0.22 0.00 0.00 39.33 40.45 3ivp h ASP 92 CO 0.00 0.03 0.30 0.59 -1.72 0.00 0.00 179.24 178.44 3ivp n ASN 93 N -5.11 3.85 -4.80 6.45 5.03 -1.26 -4.94 115.26 114.48 3ivp n ASN 93 Ca 0.06 -2.98 -0.39 0.00 0.87 0.00 0.00 54.58 52.14 3ivp n ASN 93 Cb 0.25 -0.70 -0.06 0.00 -1.02 0.00 0.00 39.78 38.24 3ivp n ASN 93 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 3ivp s PHE 94 N -2.32 3.84 0.80 3.10 0.40 -0.92 -5.08 117.98 117.80 3ivp s PHE 94 Ca 0.40 1.42 -0.12 0.00 -0.60 0.00 0.00 56.93 58.03 3ivp s PHE 94 Cb 0.33 -2.61 0.07 0.00 0.51 0.00 0.00 43.02 41.32 3ivp s PHE 94 CO 0.09 0.54 1.17 0.95 0.70 0.00 0.00 175.22 178.67 3ivp s THR 95 N -1.16 2.20 0.33 0.64 -4.23 -1.26 -4.88 115.64 107.29 3ivp s THR 95 Ca 0.33 0.07 0.08 0.00 -1.18 0.00 0.00 61.69 60.98 3ivp s THR 95 Cb -0.21 -3.05 0.08 0.00 1.34 0.00 0.00 72.50 70.66 3ivp s THR 95 CO 0.22 -0.09 1.77 0.44 -0.54 0.00 0.00 174.62 176.43 3ivp h ASP 96 N -1.03 0.21 -0.37 3.99 3.32 -1.98 -1.40 116.42 119.16 3ivp h ASP 96 Ca -0.46 -0.07 0.05 0.00 0.02 0.00 0.00 57.03 56.57 3ivp h ASP 96 Cb 1.32 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 40.76 3ivp h ASP 96 CO 0.65 0.54 0.09 0.00 -1.72 0.00 0.00 179.24 178.80 3ivp h ALA 97 N 1.48 0.40 -0.45 3.45 0.00 -2.00 0.26 119.26 122.39 3ivp h ALA 97 Ca 0.02 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.04 3ivp h ALA 97 Cb 0.68 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 3ivp h ALA 97 CO 0.05 -0.32 0.22 -0.44 0.00 0.00 0.00 179.25 178.77 3ivp h ASP 98 N 0.21 0.32 0.18 0.00 3.32 -1.85 -2.09 116.42 116.52 3ivp h ASP 98 Ca 0.17 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.23 3ivp h ASP 98 Cb 0.19 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.70 3ivp h ASP 98 CO -0.22 0.23 -0.10 -0.07 -1.72 0.00 0.00 179.24 177.37 3ivp h LEU 99 N 0.45 0.00 -0.61 1.55 3.38 -0.36 -1.48 115.31 118.25 3ivp h LEU 99 Ca 0.20 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.13 3ivp h LEU 99 Cb 0.10 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 3ivp h LEU 99 CO -0.14 0.10 0.24 0.58 0.09 0.00 0.00 178.44 179.31 3ivp h VAL 100 N 0.00 1.23 0.00 1.22 2.07 0.18 0.24 116.25 121.20 3ivp h VAL 100 Ca -0.00 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.80 3ivp h VAL 100 Cb 0.21 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 3ivp h VAL 100 CO 0.01 0.28 0.00 -0.38 0.02 0.00 0.00 177.57 177.50 3ivp n ILE 101 N -4.45 0.02 0.00 4.57 5.41 -0.56 -1.58 119.36 122.77 3ivp n ILE 101 Ca 0.04 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.79 3ivp n ILE 101 Cb 0.17 -0.20 0.00 0.00 -0.71 0.00 0.00 39.64 38.89 3ivp n ILE 101 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 3ivp n GLU 103 N 0.65 0.00 0.08 0.38 2.13 0.86 -1.42 120.64 123.31 3ivp n GLU 103 Ca 0.00 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.80 3ivp n GLU 103 Cb 0.02 0.00 0.23 0.00 0.27 0.00 0.00 31.44 31.96 3ivp n GLU 103 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 3ivp h SER 104 N 0.00 0.30 0.25 4.31 4.64 -1.53 -1.06 113.55 120.46 3ivp h SER 104 Ca 0.00 -0.11 -0.00 0.00 -0.47 0.00 0.00 61.79 61.20 3ivp h SER 104 Cb 0.00 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.00 3ivp h SER 104 CO 0.00 0.64 -0.18 0.58 -0.87 0.00 0.00 176.83 177.00 3ivp h VAL 105 N 0.25 0.61 -0.53 0.95 2.07 -1.52 -0.33 116.25 117.76 3ivp h VAL 105 Ca 0.03 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.62 3ivp h VAL 105 Cb 0.75 0.61 -0.06 0.00 -1.52 0.00 0.00 31.29 31.07 3ivp h VAL 105 CO 0.06 0.00 0.18 0.00 0.02 0.00 0.00 177.57 177.83 3ivp h ALA 106 N 0.28 0.65 -0.24 1.67 0.00 -1.67 0.28 119.26 120.23 3ivp h ALA 106 Ca -0.02 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 3ivp h ALA 106 Cb 0.38 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3ivp h ALA 106 CO 0.00 -0.22 -0.25 -0.44 0.00 0.00 0.00 179.25 178.35 3ivp h ASP 107 N 0.36 0.45 -0.59 0.00 3.32 -1.14 -1.75 116.42 117.07 3ivp h ASP 107 Ca 0.26 -0.15 -0.08 0.00 0.02 0.00 0.00 57.03 57.07 3ivp h ASP 107 Cb 0.29 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 3ivp h ASP 107 CO -0.27 0.70 0.05 1.23 -1.72 0.00 0.00 179.24 179.23 3ivp h GLY 108 N 1.01 1.11 1.02 2.75 0.00 -0.05 -2.00 103.07 106.92 3ivp h GLY 108 Ca 0.06 -0.77 -0.09 0.00 0.00 0.00 0.00 47.33 46.54 3ivp h GLY 108 CO 0.05 0.71 -0.04 -2.22 0.00 0.00 0.00 176.54 175.04 3ivp h ILE 109 N 0.96 1.27 -0.33 2.60 2.04 -0.36 -0.69 117.51 123.00 3ivp h ILE 109 Ca 0.18 -1.14 -0.11 0.00 1.00 0.00 0.00 64.86 64.79 3ivp h ILE 109 Cb 0.48 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 3ivp h ILE 109 CO 0.02 0.40 -0.24 -0.37 0.00 0.00 0.00 178.15 177.96 3ivp h VAL 110 N 0.75 1.29 -0.29 1.67 -1.51 -1.31 -0.61 116.25 116.25 3ivp h VAL 110 Ca 0.13 -1.38 0.07 0.00 -1.23 0.00 0.00 66.70 64.29 3ivp h VAL 110 Cb 0.57 1.47 -0.08 0.00 -2.13 0.00 0.00 31.29 31.12 3ivp h VAL 110 CO 0.03 0.45 -0.24 0.11 -1.23 0.00 0.00 177.57 176.70 3ivp h LYS 111 N 0.50 -0.21 0.12 5.19 1.79 -1.30 0.69 116.57 123.36 3ivp h LYS 111 Ca 0.06 0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.56 3ivp h LYS 111 Cb 0.79 0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 31.45 3ivp h LYS 111 CO 0.06 -0.14 -0.48 0.77 -1.08 0.00 0.00 179.45 178.59 3ivp h SER 112 N -0.22 -1.43 0.32 0.86 0.02 -0.94 0.63 113.55 112.80 3ivp h SER 112 Ca 0.15 0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 61.25 3ivp h SER 112 Cb 0.45 0.53 -0.01 0.00 0.14 0.00 0.00 62.40 63.51 3ivp h SER 112 CO -0.42 -0.51 -0.23 0.50 -1.14 0.00 0.00 176.83 175.03 3ivp h LYS 113 N -0.69 -0.53 0.00 3.45 3.64 -0.82 0.38 116.57 122.00 3ivp h LYS 113 Ca -0.01 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3ivp h LYS 113 Cb 0.69 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 3ivp h LYS 113 CO -0.25 -0.35 0.00 0.39 -2.27 0.00 0.00 179.45 176.96 3ivp n GLU 114 N -5.36 0.00 0.08 1.90 1.02 0.24 -3.08 120.64 115.44 3ivp n GLU 114 Ca -0.10 0.49 0.12 0.00 -0.02 0.00 0.00 57.16 57.65 3ivp n GLU 114 Cb 0.27 -1.49 0.45 0.00 -0.02 0.00 0.00 31.44 30.65 3ivp n GLU 114 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 3ivp n VAL 115 N -1.97 0.66 -0.07 2.62 0.24 0.22 -2.29 118.33 117.73 3ivp n VAL 115 Ca 0.00 0.04 -0.14 0.00 -2.04 0.00 0.00 64.34 62.20 3ivp n VAL 115 Cb 0.00 -0.85 -0.06 0.00 -1.47 0.00 0.00 33.84 31.46 3ivp n VAL 115 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3ivp h GLY 116 N 3.42 0.67 -1.14 7.63 0.00 -0.27 -3.49 103.07 109.88 3ivp h GLY 116 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 47.33 46.60 3ivp h GLY 116 CO 0.00 0.65 0.00 -1.84 0.00 0.00 0.00 176.54 175.35