#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ivp n LYS 3 N 0.00 0.84 -0.34 5.56 5.02 -1.26 -4.79 118.16 123.20 3ivp n LYS 3 Ca 0.00 0.32 0.20 0.00 -2.02 0.00 0.00 58.31 56.80 3ivp n LYS 3 Cb 0.00 -1.92 0.37 0.00 -0.02 0.00 0.00 35.03 33.46 3ivp n LYS 3 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3ivp n LYS 4 N -0.26 -0.07 0.32 1.97 4.81 -1.26 -1.12 118.16 122.55 3ivp n LYS 4 Ca 0.12 1.45 0.21 0.00 -0.87 0.00 0.00 58.31 59.21 3ivp n LYS 4 Cb 0.45 -2.38 1.11 0.00 0.02 0.00 0.00 35.03 34.22 3ivp n LYS 4 CO 0.00 0.00 0.00 1.05 1.17 0.00 0.00 177.40 179.62 3ivp h GLU 5 N 0.00 0.00 -0.10 1.64 4.11 -2.05 -2.01 114.58 116.18 3ivp h GLU 5 Ca 0.67 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.10 3ivp h GLU 5 Cb 1.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.77 3ivp h GLU 5 CO -0.88 0.01 0.00 -0.25 0.07 0.00 0.00 179.01 177.95 3ivp n ASP 6 N -3.20 2.02 -4.73 3.06 10.43 -0.28 -5.01 116.55 118.84 3ivp n ASP 6 Ca -0.03 -1.58 -0.42 0.00 2.57 0.00 0.00 54.79 55.34 3ivp n ASP 6 Cb 0.11 -0.06 -0.03 0.00 1.84 0.00 0.00 41.12 42.98 3ivp n ASP 6 CO 0.00 0.00 0.00 -0.75 -1.07 0.00 0.00 177.20 175.38 3ivp s LYS 7 N -0.77 4.29 0.17 -1.24 2.20 -0.76 -4.95 119.74 118.68 3ivp s LYS 7 Ca 0.11 2.20 -0.32 0.00 -0.36 0.00 0.00 55.97 57.60 3ivp s LYS 7 Cb 0.07 -3.18 -0.11 0.00 -1.51 0.00 0.00 37.83 33.10 3ivp s LYS 7 CO 0.10 -0.44 1.65 -0.47 -0.36 0.00 0.00 175.35 175.82 3ivp s TYR 8 N 0.67 2.88 -0.45 4.03 5.04 -1.26 -4.97 117.35 123.30 3ivp s TYR 8 Ca 0.63 0.46 -0.25 0.00 -2.44 0.00 0.00 57.07 55.47 3ivp s TYR 8 Cb -0.40 -4.02 0.02 0.00 0.35 0.00 0.00 41.96 37.92 3ivp s TYR 8 CO 0.35 -3.86 0.88 0.34 -1.34 0.00 0.00 175.55 171.92 3ivp s ASP 9 N 1.40 6.49 0.00 4.32 2.15 -1.26 -4.90 116.67 124.86 3ivp s ASP 9 Ca 0.73 0.09 0.28 0.00 0.43 0.00 0.00 52.55 54.07 3ivp s ASP 9 Cb -0.45 -2.43 1.00 0.00 -0.30 0.00 0.00 42.92 40.74 3ivp s ASP 9 CO 0.32 -0.98 1.71 0.33 -0.17 0.00 0.00 175.17 176.38 3ivp n PHE 10 N 6.97 0.01 -0.15 -5.34 7.35 -1.26 -4.43 117.46 120.61 3ivp n PHE 10 Ca 0.05 -0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.66 3ivp n PHE 10 Cb 0.48 0.00 0.02 0.00 0.35 0.00 0.00 39.48 40.33 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 2.46 0.58 -0.46 -4.13 3.08 -1.91 0.13 114.38 114.14 3ivp h ARG 11 Ca 0.00 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.02 3ivp h ARG 11 Cb 0.52 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 3ivp h ARG 11 CO 0.00 0.39 0.30 0.00 -1.07 0.00 0.00 179.97 179.58 3ivp h ALA 12 N 1.18 0.58 -0.26 0.04 0.00 -1.97 -1.52 119.26 117.31 3ivp h ALA 12 Ca 0.17 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 3ivp h ALA 12 Cb -0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3ivp h ALA 12 CO -0.05 0.01 -0.46 1.25 0.00 0.00 0.00 179.25 180.00 3ivp h LEU 13 N 0.60 0.74 -1.31 0.00 5.85 -1.78 -0.71 115.31 118.71 3ivp h LEU 13 Ca 0.17 -0.36 0.03 0.00 0.84 0.00 0.00 57.88 58.56 3ivp h LEU 13 Cb -0.06 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.73 3ivp h LEU 13 CO -0.05 1.08 0.48 1.23 -0.34 0.00 0.00 178.44 180.85 3ivp h GLY 14 N 0.96 1.02 1.10 3.75 0.00 -0.83 -0.38 103.07 108.68 3ivp h GLY 14 Ca 0.03 -0.36 -0.17 0.00 0.00 0.00 0.00 47.33 46.83 3ivp h GLY 14 CO 0.09 0.33 -0.48 -2.00 0.00 0.00 0.00 176.54 174.49 3ivp h LEU 15 N 0.92 0.93 -0.69 3.11 5.85 -0.76 -1.88 115.31 122.79 3ivp h LEU 15 Ca 0.28 -0.52 -0.03 0.00 0.84 0.00 0.00 57.88 58.46 3ivp h LEU 15 Cb 0.00 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.74 3ivp h LEU 15 CO -0.08 1.27 0.32 0.00 -0.34 0.00 0.00 178.44 179.61 3ivp h ALA 16 N 0.69 0.89 -0.16 1.25 0.00 -0.77 -0.46 119.26 120.69 3ivp h ALA 16 Ca 0.02 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.81 3ivp h ALA 16 Cb 1.08 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 3ivp h ALA 16 CO 0.11 0.47 -0.01 0.82 0.00 0.00 0.00 179.25 180.64 3ivp h ILE 17 N 0.97 0.88 -0.41 0.00 2.04 -1.04 -2.15 117.51 117.79 3ivp h ILE 17 Ca 0.24 -0.01 -0.02 0.00 1.00 0.00 0.00 64.86 66.06 3ivp h ILE 17 Cb 0.14 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 3ivp h ILE 17 CO -0.03 0.01 0.19 0.50 0.00 0.00 0.00 178.15 178.82 3ivp h LYS 18 N 0.04 0.60 -0.64 2.37 3.64 -1.03 -0.86 116.57 120.69 3ivp h LYS 18 Ca 0.08 -0.09 0.02 0.00 -1.27 0.00 0.00 60.65 59.38 3ivp h LYS 18 Cb 0.10 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 3ivp h LYS 18 CO -0.14 0.53 0.42 0.93 -2.27 0.00 0.00 179.45 178.93 3ivp h GLU 19 N 0.52 0.79 -0.16 1.90 5.08 -1.08 -0.84 114.58 120.80 3ivp h GLU 19 Ca 0.14 -0.05 -0.20 0.00 -1.00 0.00 0.00 59.36 58.25 3ivp h GLU 19 Cb 0.14 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.21 3ivp h GLU 19 CO -0.02 0.53 -0.70 0.00 -1.00 0.00 0.00 179.01 177.82 3ivp h ALA 20 N 1.61 0.46 -0.80 3.43 0.00 -1.12 0.29 119.26 123.14 3ivp h ALA 20 Ca 0.24 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3ivp h ALA 20 Cb -0.02 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 3ivp h ALA 20 CO -0.06 0.71 0.52 -0.09 0.00 0.00 0.00 179.25 180.33 3ivp h ARG 21 N 0.48 1.07 0.08 0.00 2.43 -0.76 -1.21 114.38 116.46 3ivp h ARG 21 Ca -0.03 -0.07 -0.19 0.00 -0.81 0.00 0.00 59.98 58.88 3ivp h ARG 21 Cb 1.30 -0.24 0.02 0.00 -0.42 0.00 0.00 29.97 30.63 3ivp h ARG 21 CO 0.14 0.72 -0.79 0.87 -1.51 0.00 0.00 179.97 179.39 3ivp h LYS 22 N 1.09 0.41 0.00 0.20 1.57 -1.14 -1.86 116.57 116.84 3ivp h LYS 22 Ca 0.29 -0.54 -0.01 0.00 -1.87 0.00 0.00 60.65 58.53 3ivp h LYS 22 Cb -0.11 0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 3ivp h LYS 22 CO -0.06 1.21 -0.05 -0.22 -0.57 0.00 0.00 179.45 179.75 3ivp h LYS 23 N -0.14 0.00 -2.41 3.15 3.64 -0.37 -2.11 116.57 118.32 3ivp h LYS 23 Ca -0.12 0.00 -0.68 0.00 -1.27 0.00 0.00 60.65 58.58 3ivp h LYS 23 Cb 1.54 0.00 -0.37 0.00 -0.41 0.00 0.00 32.23 33.00 3ivp h LYS 23 CO 0.15 0.05 -0.07 1.04 -2.27 0.00 0.00 179.45 178.36 3ivp n GLN 24 N -4.06 3.46 0.00 1.90 6.02 -0.46 -5.02 117.38 119.22 3ivp n GLN 24 Ca -0.03 -4.68 0.00 0.00 -0.01 0.00 0.00 57.00 52.29 3ivp n GLN 24 Cb 0.14 -2.35 0.00 0.00 1.02 0.00 0.00 30.24 29.05 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 0.72 0.00 2.97 1.08 0.00 -0.79 -4.79 105.19 104.37 3ivp n GLY 25 Ca 0.31 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.20 3ivp n GLY 25 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ivp s LEU 26 N 0.00 0.93 0.43 0.99 1.98 -0.70 -5.03 118.68 117.28 3ivp s LEU 26 Ca 0.00 0.32 -0.24 0.00 -2.89 0.00 0.00 54.13 51.32 3ivp s LEU 26 Cb 0.00 0.45 -0.08 0.00 0.66 0.00 0.00 46.19 47.22 3ivp s LEU 26 CO 0.00 -0.12 1.14 0.28 -1.89 0.00 0.00 176.35 175.77 3ivp s THR 27 N 0.81 3.25 0.36 3.68 -1.32 -1.26 -4.61 115.64 116.55 3ivp s THR 27 Ca -0.06 0.97 0.07 0.00 -1.21 0.00 0.00 61.69 61.46 3ivp s THR 27 Cb -0.08 -3.51 0.30 0.00 -1.51 0.00 0.00 72.50 67.70 3ivp s THR 27 CO -0.04 0.02 1.94 -0.09 -2.21 0.00 0.00 174.62 174.24 3ivp h ARG 28 N 2.33 0.71 -0.52 7.08 2.43 -1.97 -1.32 114.38 123.12 3ivp h ARG 28 Ca -0.49 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 58.67 3ivp h ARG 28 Cb 1.24 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 30.59 3ivp h ARG 28 CO 0.61 0.47 0.30 0.93 -1.51 0.00 0.00 179.97 180.77 3ivp h GLU 29 N 0.74 0.57 0.00 0.20 4.39 -1.93 -0.79 114.58 117.76 3ivp h GLU 29 Ca 0.34 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.98 3ivp h GLU 29 Cb 0.36 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.88 3ivp h GLU 29 CO -0.12 0.38 -1.01 1.96 -1.16 0.00 0.00 179.01 179.06 3ivp h GLN 30 N 0.59 0.00 -0.38 2.33 4.20 -1.84 -2.42 115.11 117.58 3ivp h GLN 30 Ca 0.22 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.89 3ivp h GLN 30 Cb 0.06 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 3ivp h GLN 30 CO -0.11 0.05 0.08 0.28 -0.67 0.00 0.00 178.83 178.46 3ivp h VAL 31 N 0.00 1.23 -0.23 -0.54 2.07 -1.18 -3.13 116.25 114.47 3ivp h VAL 31 Ca -0.02 -0.80 0.04 0.00 0.82 0.00 0.00 66.70 66.73 3ivp h VAL 31 Cb 1.09 1.02 -0.07 0.00 -1.52 0.00 0.00 31.29 31.81 3ivp h VAL 31 CO 0.01 0.27 -0.53 1.23 0.02 0.00 0.00 177.57 178.57 3ivp h GLY 32 N 0.48 -1.09 -1.12 2.17 0.00 -1.08 0.46 103.07 102.88 3ivp h GLY 32 Ca 0.12 0.70 0.00 0.00 0.00 0.00 0.00 47.33 48.15 3ivp h GLY 32 CO 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 176.54 176.36 3ivp n ALA 33 N -3.02 1.05 0.00 3.60 0.00 -0.92 0.22 120.51 121.45 3ivp n ALA 33 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3ivp n ALA 33 Cb 0.35 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.81 3ivp n ALA 33 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3ivp n ILE 35 N 0.56 0.00 -3.01 0.00 2.08 0.16 -4.79 119.36 114.36 3ivp n ILE 35 Ca 0.00 0.00 -0.12 0.00 0.56 0.00 0.00 62.75 63.19 3ivp n ILE 35 Cb 0.00 0.00 0.04 0.00 -0.75 0.00 0.00 39.64 38.93 3ivp n ILE 35 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3ivp n GLU 36 N 0.00 -3.90 -4.40 0.38 1.02 0.60 -5.04 120.64 109.30 3ivp n GLU 36 Ca 0.00 0.41 -0.20 0.00 -0.02 0.00 0.00 57.16 57.35 3ivp n GLU 36 Cb 0.00 -4.18 -0.10 0.00 -0.02 0.00 0.00 31.44 27.14 3ivp n GLU 36 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 3ivp s ILE 37 N -3.16 1.81 0.05 -3.67 -4.36 0.14 -5.10 121.20 106.91 3ivp s ILE 37 Ca 0.26 -2.21 -0.31 0.00 -0.26 0.00 0.00 60.65 58.14 3ivp s ILE 37 Cb -0.12 -2.23 -0.06 0.00 1.25 0.00 0.00 42.46 41.30 3ivp s ILE 37 CO 0.36 -0.46 1.35 -0.62 0.24 0.00 0.00 174.94 175.81 3ivp s ASP 38 N -3.39 6.90 0.41 4.36 2.15 -1.26 -4.23 116.67 121.60 3ivp s ASP 38 Ca 0.26 2.15 0.19 0.00 0.43 0.00 0.00 52.55 55.59 3ivp s ASP 38 Cb 0.00 -2.57 1.12 0.00 -0.30 0.00 0.00 42.92 41.17 3ivp s ASP 38 CO 0.10 -0.64 1.79 -0.65 -0.17 0.00 0.00 175.17 175.60 3ivp h PRO 39 N 7.26 0.37 -0.82 4.34 0.11 -1.90 0.40 132.00 141.76 3ivp h PRO 39 Ca -0.40 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.66 3ivp h PRO 39 Cb 1.20 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 32.18 3ivp h PRO 39 CO 0.87 0.25 0.39 0.00 -0.21 0.00 0.00 178.00 179.30 3ivp h ARG 40 N 0.38 1.19 -0.54 1.05 3.08 -1.94 -0.99 114.38 116.61 3ivp h ARG 40 Ca 0.56 -0.17 0.01 0.00 0.07 0.00 0.00 59.98 60.45 3ivp h ARG 40 Cb 1.46 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 31.27 3ivp h ARG 40 CO -0.25 0.91 0.36 -0.92 -1.07 0.00 0.00 179.97 179.00 3ivp h TYR 41 N 1.17 0.68 -0.64 3.04 3.20 -1.32 -2.01 116.97 121.09 3ivp h TYR 41 Ca 0.28 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.14 3ivp h TYR 41 Cb 0.12 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.13 3ivp h TYR 41 CO 0.01 0.42 0.29 1.25 -1.64 0.00 0.00 178.16 178.49 3ivp h LEU 42 N 0.73 0.83 -0.29 2.82 5.85 -0.89 -1.65 115.31 122.71 3ivp h LEU 42 Ca 0.20 -0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.86 3ivp h LEU 42 Cb -0.07 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.71 3ivp h LEU 42 CO -0.05 0.72 0.10 0.74 -0.34 0.00 0.00 178.44 179.61 3ivp h THR 43 N 0.91 0.92 -0.05 1.05 2.02 -0.48 0.15 112.91 117.43 3ivp h THR 43 Ca 0.22 -0.08 -0.14 0.00 0.77 0.00 0.00 66.41 67.18 3ivp h THR 43 Cb 0.13 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 3ivp h THR 43 CO -0.03 0.04 -0.60 0.78 0.37 0.00 0.00 175.52 176.08 3ivp h ASN 44 N 0.22 0.18 0.11 4.18 4.21 -1.24 0.57 115.58 123.82 3ivp h ASN 44 Ca 0.13 -0.10 -0.00 0.00 1.21 0.00 0.00 56.30 57.53 3ivp h ASN 44 Cb 0.10 -0.05 -0.00 0.00 -1.12 0.00 0.00 38.32 37.24 3ivp h ASN 44 CO -0.14 0.74 -0.07 0.40 -1.29 0.00 0.00 177.43 177.07 3ivp h ILE 45 N 0.12 0.84 -0.00 2.81 2.04 -0.94 -0.75 117.51 121.63 3ivp h ILE 45 Ca -0.01 0.00 -0.23 0.00 1.00 0.00 0.00 64.86 65.63 3ivp h ILE 45 Cb 1.09 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 3ivp h ILE 45 CO 0.09 0.00 -0.94 -0.33 0.00 0.00 0.00 178.15 176.97 3ivp h GLU 46 N -0.18 0.43 0.00 2.37 5.08 -0.48 -3.32 114.58 118.48 3ivp h GLU 46 Ca -0.01 -0.45 -0.25 0.00 -1.00 0.00 0.00 59.36 57.65 3ivp h GLU 46 Cb 0.16 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.49 3ivp h GLU 46 CO 0.00 1.11 -1.96 0.09 -1.00 0.00 0.00 179.01 177.26 3ivp n ASN 47 N -3.75 2.03 -0.47 1.42 3.02 0.20 -3.83 115.26 113.87 3ivp n ASN 47 Ca -0.07 -0.04 0.06 0.00 -0.03 0.00 0.00 54.58 54.50 3ivp n ASN 47 Cb 0.83 0.41 0.06 0.00 -0.61 0.00 0.00 39.78 40.47 3ivp n ASN 47 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3ivp n LYS 48 N -2.70 0.90 -1.25 3.52 5.02 -0.38 -4.98 118.16 118.29 3ivp n LYS 48 Ca -0.26 -1.30 -0.09 0.00 -2.02 0.00 0.00 58.31 54.65 3ivp n LYS 48 Cb 0.90 -1.22 -0.04 0.00 -0.02 0.00 0.00 35.03 34.65 3ivp n LYS 48 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ivp n GLY 49 N 0.61 1.04 3.73 0.72 0.00 -0.65 -4.96 105.19 105.67 3ivp n GLY 49 Ca 0.07 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.65 4.25 0.02 1.61 0.74 -0.65 -4.25 119.66 118.73 3ivp s GLN 50 Ca 0.00 2.30 -0.30 0.00 0.05 0.00 0.00 55.36 57.41 3ivp s GLN 50 Cb 0.00 -3.15 -0.06 0.00 1.10 0.00 0.00 33.01 30.90 3ivp s GLN 50 CO 0.00 -0.50 1.43 -1.01 -0.55 0.00 0.00 175.29 174.66 3ivp s HIS 51 N 0.63 2.84 0.82 1.67 3.76 -1.26 -4.23 115.29 119.52 3ivp s HIS 51 Ca 0.65 0.77 -0.12 0.00 -0.15 0.00 0.00 55.06 56.21 3ivp s HIS 51 Cb -0.42 -3.71 0.09 0.00 1.11 0.00 0.00 32.58 29.65 3ivp s HIS 51 CO 0.36 -2.63 1.10 -1.25 -0.85 0.00 0.00 174.74 171.48 3ivp s PRO 52 N 2.27 1.86 1.06 8.40 0.04 -1.26 -5.02 135.00 142.35 3ivp s PRO 52 Ca 0.65 0.59 -0.12 0.00 0.04 0.00 0.00 61.00 62.16 3ivp s PRO 52 Cb -0.33 -1.90 0.23 0.00 0.04 0.00 0.00 34.50 32.54 3ivp s PRO 52 CO 0.28 -1.76 1.06 -1.54 0.04 0.00 0.00 177.00 175.08 3ivp s SER 53 N -3.90 1.91 0.15 6.66 1.04 -1.26 -4.81 113.70 113.50 3ivp s SER 53 Ca 0.61 1.51 -0.16 0.00 0.48 0.00 0.00 55.95 58.40 3ivp s SER 53 Cb -0.15 -2.21 0.02 0.00 0.10 0.00 0.00 66.02 63.78 3ivp s SER 53 CO 0.54 -3.62 1.79 0.25 0.98 0.00 0.00 173.24 173.18 3ivp h LEU 54 N -2.22 0.50 -0.33 2.42 6.46 -1.99 -1.50 115.31 118.64 3ivp h LEU 54 Ca -0.56 -0.04 0.07 0.00 -0.12 0.00 0.00 57.88 57.23 3ivp h LEU 54 Cb 1.32 -0.13 -0.08 0.00 -0.73 0.00 0.00 40.66 41.04 3ivp h LEU 54 CO 0.52 0.39 -0.25 -0.61 -0.62 0.00 0.00 178.44 177.87 3ivp h GLN 55 N 0.56 -0.20 -0.63 1.25 5.75 -1.99 0.21 115.11 120.06 3ivp h GLN 55 Ca 0.15 0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.63 3ivp h GLN 55 Cb -0.02 0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.55 3ivp h GLN 55 CO -0.03 -0.14 0.26 0.28 -2.65 0.00 0.00 178.83 176.56 3ivp h VAL 56 N -0.21 1.23 0.04 2.39 2.07 -1.91 0.31 116.25 120.16 3ivp h VAL 56 Ca 0.17 -0.70 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 3ivp h VAL 56 Cb 0.47 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 3ivp h VAL 56 CO -0.46 0.28 -0.02 0.25 0.02 0.00 0.00 177.57 177.64 3ivp h LEU 57 N 0.87 -0.04 -0.46 2.57 5.85 -0.77 0.63 115.31 123.96 3ivp h LEU 57 Ca 0.21 -0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.99 3ivp h LEU 57 Cb 0.19 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.14 3ivp h LEU 57 CO -0.02 0.01 -0.07 0.22 -0.34 0.00 0.00 178.44 178.23 3ivp h TYR 58 N -0.09 -0.16 -0.82 1.25 3.20 -0.16 -0.70 116.97 119.50 3ivp h TYR 58 Ca -0.01 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 3ivp h TYR 58 Cb 0.07 0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.45 3ivp h TYR 58 CO -0.06 -0.16 0.45 -0.44 -1.64 0.00 0.00 178.16 176.31 3ivp h ASP 59 N 0.04 1.01 -0.11 -2.11 3.32 0.15 -1.61 116.42 117.10 3ivp h ASP 59 Ca 0.22 -0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.13 3ivp h ASP 59 Cb 0.34 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 3ivp h ASP 59 CO -0.44 0.80 -0.20 -0.07 -1.72 0.00 0.00 179.24 177.62 3ivp h LEU 60 N 1.14 0.37 -0.25 1.55 3.38 -0.46 -2.84 115.31 118.19 3ivp h LEU 60 Ca 0.29 -0.54 -0.21 0.00 0.09 0.00 0.00 57.88 57.50 3ivp h LEU 60 Cb 0.01 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.66 3ivp h LEU 60 CO -0.05 0.84 -0.84 0.58 0.09 0.00 0.00 178.44 179.06 3ivp h VAL 61 N -0.09 1.36 0.02 1.22 2.07 -1.04 -0.01 116.25 119.77 3ivp h VAL 61 Ca 0.01 -2.24 -0.21 0.00 0.82 0.00 0.00 66.70 65.08 3ivp h VAL 61 Cb 0.77 2.23 -0.01 0.00 -1.52 0.00 0.00 31.29 32.76 3ivp h VAL 61 CO 0.04 0.68 -0.93 0.77 0.02 0.00 0.00 177.57 178.15 3ivp h SER 62 N 0.31 0.30 -0.40 0.57 4.64 -1.42 0.18 113.55 117.72 3ivp h SER 62 Ca -0.06 -0.25 -0.12 0.00 -0.47 0.00 0.00 61.79 60.89 3ivp h SER 62 Cb 1.45 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 63.44 3ivp h SER 62 CO 0.15 1.08 -0.23 0.25 -0.87 0.00 0.00 176.83 177.21 3ivp h LEU 63 N 0.11 0.90 -0.82 5.97 5.85 -1.38 -3.33 115.31 122.62 3ivp h LEU 63 Ca -0.06 -0.41 0.00 0.00 0.84 0.00 0.00 57.88 58.25 3ivp h LEU 63 Cb 1.58 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.37 3ivp h LEU 63 CO 0.15 1.12 -0.55 0.18 -0.34 0.00 0.00 178.44 178.99 3ivp n LEU 64 N -4.20 1.82 -3.26 2.25 4.77 -0.03 -5.02 117.00 113.34 3ivp n LEU 64 Ca -0.01 -0.69 -0.14 0.00 -0.03 0.00 0.00 56.01 55.13 3ivp n LEU 64 Cb 0.45 -0.01 0.05 0.00 -2.33 0.00 0.00 43.42 41.59 3ivp n LEU 64 CO 0.46 0.35 0.08 -3.20 -1.33 0.00 0.00 177.39 173.74 3ivp n ASN 65 N -0.29 -6.74 -4.35 -1.43 5.15 0.58 -4.92 115.26 103.27 3ivp n ASN 65 Ca 0.08 -0.62 -0.32 0.00 -0.60 0.00 0.00 54.58 53.12 3ivp n ASN 65 Cb 0.44 -5.05 -0.15 0.00 -0.53 0.00 0.00 39.78 34.49 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 -3.32 2.67 -0.15 3.44 1.01 -0.87 -4.44 120.40 118.73 3ivp s VAL 66 Ca 0.37 -0.82 -0.29 0.00 0.00 0.00 0.00 61.98 61.24 3ivp s VAL 66 Cb -0.06 -2.06 -0.00 0.00 0.00 0.00 0.00 36.38 34.26 3ivp s VAL 66 CO 0.75 0.55 1.03 -0.55 0.00 0.00 0.00 175.10 176.89 3ivp s SER 67 N -0.01 7.18 -0.04 3.32 0.15 -1.26 -4.82 113.70 118.21 3ivp s SER 67 Ca -0.06 1.48 -0.24 0.00 0.70 0.00 0.00 55.95 57.84 3ivp s SER 67 Cb -0.15 -2.55 -0.24 0.00 -1.71 0.00 0.00 66.02 61.38 3ivp s SER 67 CO 0.05 -0.55 1.03 0.58 1.20 0.00 0.00 173.24 175.55 3ivp h VAL 68 N 5.24 1.53 -0.91 4.45 2.07 -1.98 -3.33 116.25 123.32 3ivp h VAL 68 Ca -0.26 -1.98 0.25 0.00 0.82 0.00 0.00 66.70 65.53 3ivp h VAL 68 Cb 1.11 2.75 -0.14 0.00 -1.52 0.00 0.00 31.29 33.50 3ivp h VAL 68 CO 0.91 0.55 0.34 0.44 0.02 0.00 0.00 177.57 179.83 3ivp h ASP 69 N -0.44 0.18 -0.93 0.57 3.32 -1.95 0.20 116.42 117.37 3ivp h ASP 69 Ca -0.04 0.19 0.25 0.00 0.02 0.00 0.00 57.03 57.45 3ivp h ASP 69 Cb 1.07 0.21 -0.05 0.00 0.22 0.00 0.00 39.33 40.78 3ivp h ASP 69 CO 0.06 -0.12 0.64 -0.08 -1.72 0.00 0.00 179.24 178.02 3ivp h GLU 70 N 0.27 0.18 0.00 3.56 4.81 -1.85 0.17 114.58 121.72 3ivp h GLU 70 Ca 0.60 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.81 3ivp h GLU 70 Cb 1.23 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.57 3ivp h GLU 70 CO -0.62 0.12 -0.71 1.19 -0.73 0.00 0.00 179.01 178.25 3ivp n PHE 71 N -4.39 0.00 -0.10 0.92 3.01 0.51 -4.60 117.46 112.81 3ivp n PHE 71 Ca 0.20 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.51 3ivp n PHE 71 Cb 0.88 -0.05 -0.14 0.00 -0.01 0.00 0.00 39.48 40.17 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 -1.38 0.19 -4.14 1.38 3.01 -0.10 -5.04 117.46 111.38 3ivp n PHE 72 Ca 0.01 0.05 -0.30 0.00 1.01 0.00 0.00 57.45 58.22 3ivp n PHE 72 Cb 0.20 -1.03 -0.08 0.00 -0.01 0.00 0.00 39.48 38.56 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 -6.23 3.40 0.71 4.37 1.02 0.56 -5.06 118.68 117.46 3ivp s LEU 73 Ca -0.24 -0.21 -0.16 0.00 0.02 0.00 0.00 54.13 53.53 3ivp s LEU 73 Cb 0.08 -2.14 -0.01 0.00 0.02 0.00 0.00 46.19 44.13 3ivp s LEU 73 CO 0.70 0.17 0.82 -0.81 0.02 0.00 0.00 176.35 177.25 3ivp n PRO 74 N 0.55 0.47 -0.38 1.29 -0.04 -1.26 -4.72 135.00 130.90 3ivp n PRO 74 Ca -0.11 0.21 0.31 0.00 -0.04 0.00 0.00 63.50 63.87 3ivp n PRO 74 Cb 0.52 -2.08 0.58 0.00 -0.04 0.00 0.00 33.50 32.48 3ivp n PRO 74 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ivp h ALA 75 N -0.23 2.40 -0.03 0.55 0.00 -1.94 -2.89 119.26 117.12 3ivp h ALA 75 Ca -0.47 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3ivp h ALA 75 Cb 1.34 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 19.32 3ivp h ALA 75 CO 0.46 -1.03 -0.01 0.43 0.00 0.00 0.00 179.25 179.10 3ivp n SER 76 N -4.87 -0.03 -4.75 0.00 7.64 -1.26 -4.47 113.62 105.88 3ivp n SER 76 Ca 0.35 0.05 -0.40 0.00 1.01 0.00 0.00 58.87 59.87 3ivp n SER 76 Cb 1.24 -0.01 -0.05 0.00 -1.01 0.00 0.00 64.21 64.39 3ivp n SER 76 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3ivp s SER 77 N -5.01 7.38 -0.86 6.43 0.01 -1.10 -4.91 113.70 115.63 3ivp s SER 77 Ca -0.00 2.13 -0.24 0.00 1.31 0.00 0.00 55.95 59.15 3ivp s SER 77 Cb 0.00 -2.62 -0.18 0.00 0.21 0.00 0.00 66.02 63.44 3ivp s SER 77 CO 0.02 -0.08 1.91 0.00 0.41 0.00 0.00 173.24 175.50 3ivp n GLN 78 N 1.56 1.09 -2.99 12.44 0.00 -1.26 -4.90 117.38 123.30 3ivp n GLN 78 Ca -0.00 -1.93 -0.40 0.00 0.00 0.00 0.00 57.00 54.66 3ivp n GLN 78 Cb 0.46 -3.33 -0.05 0.00 0.00 0.00 0.00 30.24 27.31 3ivp n GLN 78 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 3ivp s VAL 79 N 9.64 4.64 -0.40 -0.39 1.01 -1.26 -5.04 120.40 128.60 3ivp s VAL 79 Ca 0.67 1.63 -0.29 0.00 0.00 0.00 0.00 61.98 64.00 3ivp s VAL 79 Cb 0.06 -4.11 0.02 0.00 0.00 0.00 0.00 36.38 32.34 3ivp s VAL 79 CO 0.17 0.41 1.20 -0.75 0.00 0.00 0.00 175.10 176.13 3ivp s LYS 80 N -0.37 3.81 0.86 2.72 2.20 -1.26 -5.03 119.74 122.67 3ivp s LYS 80 Ca 0.37 0.86 -0.11 0.00 -0.36 0.00 0.00 55.97 56.73 3ivp s LYS 80 Cb -0.21 -3.88 0.11 0.00 -1.51 0.00 0.00 37.83 32.33 3ivp s LYS 80 CO 0.24 -1.26 1.09 -1.54 -0.36 0.00 0.00 175.35 173.52 3ivp s SER 81 N 2.59 3.73 0.10 1.43 1.04 -1.26 -4.70 113.70 116.62 3ivp s SER 81 Ca 0.51 1.61 -0.32 0.00 0.48 0.00 0.00 55.95 58.23 3ivp s SER 81 Cb -0.11 -2.29 -0.13 0.00 0.10 0.00 0.00 66.02 63.60 3ivp s SER 81 CO 0.27 -2.50 1.60 0.74 0.98 0.00 0.00 173.24 174.33 3ivp h THR 82 N -1.45 0.21 -0.78 2.02 2.02 -1.87 -2.05 112.91 111.01 3ivp h THR 82 Ca -0.48 0.00 0.18 0.00 0.77 0.00 0.00 66.41 66.89 3ivp h THR 82 Cb 1.27 0.21 -0.12 0.00 -1.74 0.00 0.00 68.15 67.76 3ivp h THR 82 CO 0.53 0.00 0.14 0.11 0.37 0.00 0.00 175.52 176.67 3ivp h LYS 83 N -0.75 0.20 -0.88 6.66 1.79 -1.94 -0.49 116.57 121.16 3ivp h LYS 83 Ca -0.02 -0.01 0.03 0.00 -2.18 0.00 0.00 60.65 58.47 3ivp h LYS 83 Cb 0.70 -0.04 -0.05 0.00 -1.58 0.00 0.00 32.23 31.25 3ivp h LYS 83 CO -0.11 0.13 0.57 -0.09 -1.08 0.00 0.00 179.45 178.87 3ivp h ARG 84 N 0.20 1.08 -0.19 3.15 1.12 -1.88 -1.00 114.38 116.86 3ivp h ARG 84 Ca 0.45 -0.06 -0.17 0.00 -1.11 0.00 0.00 59.98 59.09 3ivp h ARG 84 Cb 0.82 -0.24 0.00 0.00 -0.01 0.00 0.00 29.97 30.54 3ivp h ARG 84 CO -0.60 0.71 -0.55 0.00 -3.11 0.00 0.00 179.97 176.43 3ivp h ARG 85 N 1.11 0.71 -0.32 0.20 3.08 -0.39 -1.39 114.38 117.39 3ivp h ARG 85 Ca 0.35 -0.51 -0.14 0.00 0.07 0.00 0.00 59.98 59.75 3ivp h ARG 85 Cb -0.00 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 3ivp h ARG 85 CO -0.11 1.13 -0.35 1.96 -1.07 0.00 0.00 179.97 181.52 3ivp h GLN 86 N 0.42 0.73 -0.89 0.04 4.20 -1.17 -1.47 115.11 116.98 3ivp h GLN 86 Ca -0.01 -0.36 -0.02 0.00 0.06 0.00 0.00 58.65 58.32 3ivp h GLN 86 Cb 1.17 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.90 3ivp h GLN 86 CO 0.12 0.97 0.46 1.25 -0.67 0.00 0.00 178.83 180.96 3ivp h LEU 87 N 0.61 1.13 -0.85 1.46 5.85 -1.17 -0.74 115.31 121.61 3ivp h LEU 87 Ca 0.06 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 3ivp h LEU 87 Cb 0.88 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 41.59 3ivp h LEU 87 CO 0.08 0.92 0.49 -0.08 -0.34 0.00 0.00 178.44 179.51 3ivp h GLU 88 N 1.25 1.17 0.00 1.25 4.81 -0.94 -1.97 114.58 120.15 3ivp h GLU 88 Ca 0.31 -0.12 -0.10 0.00 -0.13 0.00 0.00 59.36 59.31 3ivp h GLU 88 Cb 0.07 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 3ivp h GLU 88 CO -0.05 0.84 -0.49 -0.91 -0.73 0.00 0.00 179.01 177.67 3ivp h ASN 89 N 1.18 0.00 -0.51 1.04 2.35 -0.78 -2.54 115.58 116.31 3ivp h ASN 89 Ca 0.30 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.94 3ivp h ASN 89 Cb -0.01 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 3ivp h ASN 89 CO -0.05 0.49 -0.13 0.11 -1.65 0.00 0.00 177.43 176.20 3ivp h LYS 90 N 0.00 1.01 -0.27 0.81 1.57 -0.65 -3.14 116.57 115.90 3ivp h LYS 90 Ca -0.00 -0.38 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 3ivp h LYS 90 Cb 0.98 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.23 3ivp h LYS 90 CO 0.06 1.07 0.00 0.44 -0.57 0.00 0.00 179.45 180.45 3ivp n ILE 91 N -4.14 0.35 -0.28 1.86 -5.35 -0.79 -4.05 119.36 106.97 3ivp n ILE 91 Ca 0.01 -0.44 -0.00 0.00 -0.27 0.00 0.00 62.75 62.05 3ivp n ILE 91 Cb 0.41 0.38 0.20 0.00 -1.74 0.00 0.00 39.64 38.89 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 2.41 0.98 -1.63 7.28 3.32 -1.40 -2.96 116.42 124.42 3ivp h ASP 92 Ca 0.00 -0.02 -0.69 0.00 0.02 0.00 0.00 57.03 56.34 3ivp h ASP 92 Cb 0.54 -0.24 -0.33 0.00 0.22 0.00 0.00 39.33 39.52 3ivp h ASP 92 CO 0.00 0.70 0.39 0.59 -1.72 0.00 0.00 179.24 179.20 3ivp n ASN 93 N -4.41 6.57 -4.34 6.45 5.03 -1.26 -4.95 115.26 118.34 3ivp n ASN 93 Ca 0.10 -3.79 -0.33 0.00 0.87 0.00 0.00 54.58 51.43 3ivp n ASN 93 Cb 0.04 -0.83 -0.15 0.00 -1.02 0.00 0.00 39.78 37.82 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 -3.86 2.76 1.07 3.10 0.40 -1.12 -5.13 117.98 115.20 3ivp s PHE 94 Ca 0.53 -0.71 -0.13 0.00 -0.60 0.00 0.00 56.93 56.02 3ivp s PHE 94 Cb 0.44 -1.81 0.23 0.00 0.51 0.00 0.00 43.02 42.38 3ivp s PHE 94 CO -0.26 -0.24 1.08 0.95 0.70 0.00 0.00 175.22 177.45 3ivp s THR 95 N 0.31 1.95 0.40 0.64 -4.23 -1.26 -4.80 115.64 108.65 3ivp s THR 95 Ca -0.12 0.00 0.06 0.00 -1.18 0.00 0.00 61.69 60.46 3ivp s THR 95 Cb -0.16 -2.40 0.26 0.00 1.34 0.00 0.00 72.50 71.54 3ivp s THR 95 CO 0.06 0.00 2.04 0.44 -0.54 0.00 0.00 174.62 176.63 3ivp h ASP 96 N -2.18 0.49 0.74 3.99 5.19 -2.00 -0.81 116.42 121.85 3ivp h ASP 96 Ca -0.56 -0.02 -0.03 0.00 -0.62 0.00 0.00 57.03 55.80 3ivp h ASP 96 Cb 1.33 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 40.72 3ivp h ASP 96 CO 0.54 0.37 -0.41 0.00 -3.12 0.00 0.00 179.24 176.63 3ivp h ALA 97 N 1.72 -1.08 -0.86 3.45 0.00 -2.00 0.04 119.26 120.52 3ivp h ALA 97 Ca 0.15 -0.22 0.22 0.00 0.00 0.00 0.00 54.91 55.06 3ivp h ALA 97 Cb -0.04 0.48 -0.15 0.00 0.00 0.00 0.00 17.79 18.08 3ivp h ALA 97 CO -0.03 -1.12 0.11 -0.44 0.00 0.00 0.00 179.25 177.78 3ivp h ASP 98 N -1.06 -0.22 0.37 0.00 3.45 -1.85 -1.83 116.42 115.27 3ivp h ASP 98 Ca -0.10 0.22 -0.10 0.00 0.43 0.00 0.00 57.03 57.48 3ivp h ASP 98 Cb 0.84 0.34 -0.01 0.00 -0.56 0.00 0.00 39.33 39.94 3ivp h ASP 98 CO 0.13 -0.21 -0.43 -0.07 -1.57 0.00 0.00 179.24 177.09 3ivp h LEU 99 N 0.13 0.09 -1.20 1.55 3.38 -0.50 -2.54 115.31 116.22 3ivp h LEU 99 Ca 0.52 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.45 3ivp h LEU 99 Cb 1.01 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.70 3ivp h LEU 99 CO -0.72 0.51 0.50 0.58 0.09 0.00 0.00 178.44 179.40 3ivp h VAL 100 N 0.07 1.21 0.00 1.22 2.07 -0.12 0.26 116.25 120.97 3ivp h VAL 100 Ca 0.00 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.11 3ivp h VAL 100 Cb 0.79 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 3ivp h VAL 100 CO 0.06 0.21 0.00 -0.38 0.02 0.00 0.00 177.57 177.48 3ivp n ILE 101 N -4.40 0.19 0.00 4.57 5.41 -0.96 -2.36 119.36 121.81 3ivp n ILE 101 Ca 0.09 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.84 3ivp n ILE 101 Cb 0.04 -0.47 0.00 0.00 -0.71 0.00 0.00 39.64 38.51 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 0.68 0.00 0.19 0.38 2.13 0.08 -2.14 120.64 121.96 3ivp n GLU 103 Ca 0.00 0.00 0.05 0.00 0.66 0.00 0.00 57.16 57.87 3ivp n GLU 103 Cb 0.12 0.00 0.37 0.00 0.27 0.00 0.00 31.44 32.20 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 0.00 -0.03 4.31 4.64 -1.73 -1.46 113.55 119.27 3ivp h SER 104 Ca 0.00 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.17 3ivp h SER 104 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3ivp h SER 104 CO 0.00 0.37 -0.50 1.62 -0.87 0.00 0.00 176.83 177.46 3ivp h VAL 105 N 0.00 1.31 -0.13 0.95 3.04 -1.73 -2.07 116.25 117.63 3ivp h VAL 105 Ca -0.00 -1.71 -0.01 0.00 -1.01 0.00 0.00 66.70 63.97 3ivp h VAL 105 Cb 0.81 1.68 -0.01 0.00 -2.01 0.00 0.00 31.29 31.76 3ivp h VAL 105 CO 0.05 0.54 0.06 0.00 -1.01 0.00 0.00 177.57 177.20 3ivp h ALA 106 N 0.98 0.16 -0.82 3.17 0.00 -1.74 0.27 119.26 121.29 3ivp h ALA 106 Ca 0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3ivp h ALA 106 Cb 1.03 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 3ivp h ALA 106 CO 0.10 -0.27 0.46 -0.44 0.00 0.00 0.00 179.25 179.10 3ivp h ASP 107 N 0.07 1.01 -0.67 0.00 3.32 -1.33 0.54 116.42 119.35 3ivp h ASP 107 Ca 0.04 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 3ivp h ASP 107 Cb 0.13 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.40 3ivp h ASP 107 CO -0.00 0.81 0.35 1.23 -1.72 0.00 0.00 179.24 179.90 3ivp h GLY 108 N 1.13 1.01 1.01 2.75 0.00 -1.15 0.54 103.07 108.35 3ivp h GLY 108 Ca 0.29 -0.47 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 3ivp h GLY 108 CO -0.05 0.45 0.45 -2.22 0.00 0.00 0.00 176.54 175.17 3ivp h ILE 109 N 0.92 1.21 0.19 2.60 2.04 -0.40 0.18 117.51 124.24 3ivp h ILE 109 Ca 0.23 -0.45 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 3ivp h ILE 109 Cb 0.06 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.32 3ivp h ILE 109 CO -0.04 0.22 -0.09 0.58 0.00 0.00 0.00 178.15 178.82 3ivp h VAL 110 N 1.01 0.91 -0.93 1.67 2.07 -0.47 -1.26 116.25 119.25 3ivp h VAL 110 Ca 0.27 -0.53 0.08 0.00 0.82 0.00 0.00 66.70 67.34 3ivp h VAL 110 Cb -0.04 1.23 -0.07 0.00 -1.52 0.00 0.00 31.29 30.89 3ivp h VAL 110 CO -0.05 0.12 0.60 0.11 0.02 0.00 0.00 177.57 178.37 3ivp h LYS 111 N -0.51 0.97 -0.48 1.57 1.57 -0.84 -1.60 116.57 117.24 3ivp h LYS 111 Ca -0.03 -0.06 0.06 0.00 -1.87 0.00 0.00 60.65 58.75 3ivp h LYS 111 Cb 0.39 -0.22 -0.05 0.00 0.08 0.00 0.00 32.23 32.43 3ivp h LYS 111 CO 0.04 0.64 0.20 1.03 -0.57 0.00 0.00 179.45 180.79 3ivp h SER 112 N 0.99 0.24 0.23 0.86 0.87 -0.40 -1.91 113.55 114.43 3ivp h SER 112 Ca 0.42 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 61.03 3ivp h SER 112 Cb 0.31 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 3ivp h SER 112 CO -0.18 0.17 0.00 0.29 -0.53 0.00 0.00 176.83 176.58 3ivp n LYS 113 N -4.97 0.00 -2.72 2.24 5.02 -0.50 -4.69 118.16 112.55 3ivp n LYS 113 Ca 0.04 0.39 -0.21 0.00 -2.02 0.00 0.00 58.31 56.51 3ivp n LYS 113 Cb 0.17 -1.51 0.06 0.00 -0.02 0.00 0.00 35.03 33.73 3ivp n LYS 113 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3ivp s GLU 114 N -3.01 2.24 0.00 1.97 2.02 -0.72 -5.11 118.70 116.09 3ivp s GLU 114 Ca 0.03 -1.08 0.00 0.00 0.02 0.00 0.00 54.97 53.94 3ivp s GLU 114 Cb 0.04 -2.49 0.00 0.00 0.10 0.00 0.00 34.13 31.78 3ivp s GLU 114 CO 0.13 -0.94 0.00 1.55 0.02 0.00 0.00 175.26 176.02