#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p3m h ILE 26 N 0.00 1.11 -0.00 2.41 6.09 -2.01 0.44 117.51 125.55 1p3m h ILE 26 Ca 0.00 -0.32 0.00 0.00 -1.37 0.00 0.00 64.86 63.17 1p3m h ILE 26 Cb 0.00 0.74 0.00 0.00 0.47 0.00 0.00 36.82 38.03 1p3m h ILE 26 CO 0.00 0.13 -0.02 0.00 -3.07 0.00 0.00 178.15 175.19 1p3m n GLN 27 N -4.43 0.98 0.23 2.19 1.13 -1.26 -2.51 117.38 113.72 1p3m n GLN 27 Ca 0.01 -0.18 0.11 0.00 -1.94 0.00 0.00 57.00 55.01 1p3m n GLN 27 Cb 0.12 -1.50 0.51 0.00 0.11 0.00 0.00 30.24 29.48 1p3m n GLN 27 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 1p3m h GLY 28 N 4.97 0.00 -7.29 1.08 0.00 -0.62 -3.35 103.07 97.86 1p3m h GLY 28 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.73 1p3m h GLY 28 CO 0.00 0.00 0.78 -0.42 0.00 0.00 0.00 176.54 176.90 1p3m s ILE 29 N -3.67 4.11 0.47 2.60 -1.09 -1.04 -4.99 121.20 117.58 1p3m s ILE 29 Ca 0.01 -0.16 -0.17 0.00 -2.23 0.00 0.00 60.65 58.09 1p3m s ILE 29 Cb 0.10 -4.79 -0.09 0.00 -1.58 0.00 0.00 42.46 36.10 1p3m s ILE 29 CO 0.62 -1.62 0.94 0.42 -1.23 0.00 0.00 174.94 174.06 1p3m s THR 30 N 4.64 4.52 0.16 2.92 -4.23 -1.26 -4.88 115.64 117.52 1p3m s THR 30 Ca 0.28 1.23 -0.28 0.00 -1.18 0.00 0.00 61.69 61.74 1p3m s THR 30 Cb -0.12 -3.68 -0.01 0.00 1.34 0.00 0.00 72.50 70.03 1p3m s THR 30 CO 0.10 -0.53 1.55 0.50 -0.54 0.00 0.00 174.62 175.71 1p3m h LYS 31 N 1.35 -0.18 -0.72 3.99 3.64 -1.94 0.31 116.57 123.02 1p3m h LYS 31 Ca -0.48 0.01 0.15 0.00 -1.27 0.00 0.00 60.65 59.07 1p3m h LYS 31 Cb 1.18 0.04 -0.11 0.00 -0.41 0.00 0.00 32.23 32.94 1p3m h LYS 31 CO 0.62 -0.12 0.19 -1.35 -2.27 0.00 0.00 179.45 176.52 1p3m h PRO 32 N -0.18 0.28 0.13 1.90 0.11 -1.98 0.62 132.00 132.88 1p3m h PRO 32 Ca 0.17 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.25 1p3m h PRO 32 Cb 0.53 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.58 1p3m h PRO 32 CO -0.77 0.19 -0.06 0.00 -0.21 0.00 0.00 178.00 177.14 1p3m h ALA 33 N 1.59 -0.18 -0.74 -0.75 0.00 -1.21 -0.02 119.26 117.95 1p3m h ALA 33 Ca 0.40 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 1p3m h ALA 33 Cb 0.67 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 1p3m h ALA 33 CO -0.49 -0.55 0.44 0.82 0.00 0.00 0.00 179.25 179.48 1p3m h ILE 34 N -0.29 1.21 -0.80 0.00 2.04 0.58 -1.30 117.51 118.96 1p3m h ILE 34 Ca -0.02 -0.47 0.06 0.00 1.00 0.00 0.00 64.86 65.43 1p3m h ILE 34 Cb 0.23 0.18 -0.06 0.00 -0.74 0.00 0.00 36.82 36.44 1p3m h ILE 34 CO 0.03 0.22 0.49 -0.09 0.00 0.00 0.00 178.15 178.80 1p3m h ARG 35 N 1.01 0.87 -0.24 2.37 2.43 0.41 -1.74 114.38 119.50 1p3m h ARG 35 Ca 0.27 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.40 1p3m h ARG 35 Cb -0.03 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.30 1p3m h ARG 35 CO -0.05 0.57 0.11 0.00 -1.51 0.00 0.00 179.97 179.10 1p3m h ARG 36 N 0.89 0.23 0.32 0.20 3.08 0.11 -1.51 114.38 117.70 1p3m h ARG 36 Ca 0.35 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.38 1p3m h ARG 36 Cb 0.15 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.12 1p3m h ARG 36 CO -0.17 0.15 -0.47 -0.07 -1.07 0.00 0.00 179.97 178.34 1p3m h LEU 37 N 0.24 -1.35 -1.50 3.04 3.38 -0.82 -1.37 115.31 116.93 1p3m h LEU 37 Ca 0.10 0.13 0.30 0.00 0.09 0.00 0.00 57.88 58.49 1p3m h LEU 37 Cb 0.03 0.47 -0.09 0.00 0.09 0.00 0.00 40.66 41.17 1p3m h LEU 37 CO -0.07 -0.59 0.73 0.00 0.09 0.00 0.00 178.44 178.60 1p3m h ALA 38 N -0.57 2.48 -0.03 1.53 0.00 -1.09 0.53 119.26 122.11 1p3m h ALA 38 Ca -0.03 0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 1p3m h ALA 38 Cb 0.79 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1p3m h ALA 38 CO -0.15 -0.89 -0.68 0.00 0.00 0.00 0.00 179.25 177.53 1p3m h ARG 39 N 0.27 0.14 0.00 0.00 3.08 -0.24 0.14 114.38 117.77 1p3m h ARG 39 Ca 0.61 -0.11 -0.04 0.00 0.07 0.00 0.00 59.98 60.52 1p3m h ARG 39 Cb 1.78 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.85 1p3m h ARG 39 CO -0.25 0.76 -0.17 -0.09 -1.07 0.00 0.00 179.97 179.15 1p3m h ARG 40 N 0.09 0.00 -0.08 0.04 2.43 0.93 0.08 114.38 117.86 1p3m h ARG 40 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1p3m h ARG 40 Cb 1.21 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 1p3m h ARG 40 CO 0.10 0.17 0.00 0.41 -1.51 0.00 0.00 179.97 179.14 1p3m n GLY 41 N -0.24 -0.11 1.92 2.80 0.00 -0.50 -4.92 105.19 104.14 1p3m n GLY 41 Ca -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1p3m n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p3m n GLY 42 N 1.08 0.42 3.70 -0.02 0.00 0.01 -5.02 105.19 105.35 1p3m n GLY 42 Ca 0.17 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 1p3m n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p3m s VAL 43 N -2.00 4.53 -0.21 1.61 1.01 0.41 -4.96 120.40 120.78 1p3m s VAL 43 Ca 0.00 1.82 -0.17 0.00 0.00 0.00 0.00 61.98 63.63 1p3m s VAL 43 Cb 0.00 -4.17 -0.19 0.00 0.00 0.00 0.00 36.38 32.03 1p3m s VAL 43 CO 0.00 0.07 0.11 1.17 0.00 0.00 0.00 175.10 176.45 1p3m n LYS 44 N 4.54 0.61 -4.57 2.72 4.81 -1.26 -4.42 118.16 120.58 1p3m n LYS 44 Ca 0.09 0.45 -0.28 0.00 -0.87 0.00 0.00 58.31 57.69 1p3m n LYS 44 Cb 0.48 -1.68 -0.17 0.00 0.02 0.00 0.00 35.03 33.68 1p3m n LYS 44 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1p3m s ARG 45 N -2.43 2.15 -0.18 1.64 3.52 -1.26 -5.12 118.95 117.26 1p3m s ARG 45 Ca -0.30 -0.55 -0.03 0.00 -0.13 0.00 0.00 55.73 54.72 1p3m s ARG 45 Cb 0.08 -1.79 -0.02 0.00 -1.56 0.00 0.00 34.95 31.67 1p3m s ARG 45 CO 0.60 -0.01 -0.05 0.42 -0.81 0.00 0.00 175.30 175.45 1p3m s ILE 46 N 0.83 3.53 0.55 4.11 1.01 -1.26 -5.11 121.20 124.86 1p3m s ILE 46 Ca -0.10 -0.47 -0.19 0.00 0.00 0.00 0.00 60.65 59.89 1p3m s ILE 46 Cb -0.15 -2.56 -0.05 0.00 0.01 0.00 0.00 42.46 39.70 1p3m s ILE 46 CO 0.01 0.46 1.15 -0.55 0.00 0.00 0.00 174.94 176.02 1p3m s SER 47 N 0.86 5.59 0.19 3.58 0.15 -1.26 -4.95 113.70 117.86 1p3m s SER 47 Ca -0.01 2.24 -0.10 0.00 0.70 0.00 0.00 55.95 58.77 1p3m s SER 47 Cb -0.15 -2.59 0.11 0.00 -1.71 0.00 0.00 66.02 61.69 1p3m s SER 47 CO 0.01 -1.31 1.76 1.23 1.20 0.00 0.00 173.24 176.13 1p3m h GLY 48 N 1.14 1.07 0.98 9.45 0.00 -2.05 -2.67 103.07 110.98 1p3m h GLY 48 Ca -0.50 -0.56 0.00 0.00 0.00 0.00 0.00 47.33 46.27 1p3m h GLY 48 CO 0.56 0.53 0.00 1.04 0.00 0.00 0.00 176.54 178.67 1p3m n LEU 49 N -4.42 0.00 0.05 3.11 4.77 -1.26 -3.45 117.00 115.80 1p3m n LEU 49 Ca 0.05 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.88 1p3m n LEU 49 Cb 0.15 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.19 1p3m n LEU 49 CO 0.39 0.00 0.18 0.40 -1.33 0.00 0.00 177.39 177.03 1p3m h ILE 50 N 0.00 1.35 -0.84 -0.08 1.08 -1.86 -3.12 117.51 114.04 1p3m h ILE 50 Ca 0.00 -2.30 0.08 0.00 -0.39 0.00 0.00 64.86 62.25 1p3m h ILE 50 Cb 0.00 2.32 -0.07 0.00 -3.07 0.00 0.00 36.82 36.00 1p3m h ILE 50 CO 0.00 0.70 0.50 1.88 -0.69 0.00 0.00 178.15 180.54 1p3m h TYR 51 N 0.32 0.92 0.00 1.37 0.05 -1.76 0.56 116.97 118.44 1p3m h TYR 51 Ca -0.09 0.03 -0.19 0.00 0.05 0.00 0.00 58.73 58.54 1p3m h TYR 51 Cb 1.56 -0.29 -0.02 0.00 1.01 0.00 0.00 36.73 38.99 1p3m h TYR 51 CO 0.07 0.43 -0.88 0.93 -1.05 0.00 0.00 178.16 177.67 1p3m h GLU 52 N 0.88 0.04 -0.23 4.88 4.39 -1.81 -2.45 114.58 120.28 1p3m h GLU 52 Ca 0.38 -0.05 -0.13 0.00 0.34 0.00 0.00 59.36 59.91 1p3m h GLU 52 Cb 0.26 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 1p3m h GLU 52 CO -0.21 0.89 -0.38 1.49 -1.16 0.00 0.00 179.01 179.64 1p3m h GLU 53 N 0.02 0.52 0.69 2.33 4.57 -1.23 -2.90 114.58 118.59 1p3m h GLU 53 Ca -0.02 -0.25 -0.03 0.00 -1.18 0.00 0.00 59.36 57.87 1p3m h GLU 53 Cb 1.53 -0.00 0.01 0.00 -0.16 0.00 0.00 28.75 30.13 1p3m h GLU 53 CO 0.12 0.82 -0.33 1.15 -1.18 0.00 0.00 179.01 179.59 1p3m h THR 54 N 0.44 0.14 -0.92 0.32 2.02 0.18 -2.98 112.91 112.12 1p3m h THR 54 Ca 0.04 -0.27 0.25 0.00 0.77 0.00 0.00 66.41 67.20 1p3m h THR 54 Cb 0.86 0.19 -0.14 0.00 -1.74 0.00 0.00 68.15 67.32 1p3m h THR 54 CO 0.07 0.02 0.35 0.03 0.37 0.00 0.00 175.52 176.36 1p3m h ARG 55 N -1.16 0.27 -0.72 6.66 3.08 -1.43 0.18 114.38 121.26 1p3m h ARG 55 Ca -0.09 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 59.95 1p3m h ARG 55 Cb 0.73 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.69 1p3m h ARG 55 CO 0.15 0.18 0.47 0.78 -1.07 0.00 0.00 179.97 180.48 1p3m h GLY 56 N 0.28 1.01 0.88 0.04 0.00 -1.46 0.10 103.07 103.92 1p3m h GLY 56 Ca 0.60 -0.37 -0.04 0.00 0.00 0.00 0.00 47.33 47.52 1p3m h GLY 56 CO -0.62 0.35 -0.41 -2.08 0.00 0.00 0.00 176.54 173.78 1p3m h VAL 57 N 0.95 0.02 -1.19 4.60 2.07 -0.54 -1.50 116.25 120.66 1p3m h VAL 57 Ca 0.27 -0.14 0.36 0.00 0.82 0.00 0.00 66.70 68.00 1p3m h VAL 57 Cb -0.09 0.03 -0.11 0.00 -1.52 0.00 0.00 31.29 29.60 1p3m h VAL 57 CO -0.07 0.00 0.77 0.25 0.02 0.00 0.00 177.57 178.55 1p3m h LEU 58 N -1.29 0.32 -0.22 2.57 5.85 -0.94 0.40 115.31 122.00 1p3m h LEU 58 Ca -0.12 0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 1p3m h LEU 58 Cb 0.89 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 1p3m h LEU 58 CO 0.19 -0.06 -0.06 0.50 -0.34 0.00 0.00 178.44 178.68 1p3m h LYS 59 N 0.22 0.43 0.00 1.25 3.64 -0.27 -1.92 116.57 119.92 1p3m h LYS 59 Ca 0.71 -0.17 -0.04 0.00 -1.27 0.00 0.00 60.65 59.88 1p3m h LYS 59 Cb 2.10 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.89 1p3m h LYS 59 CO -0.35 0.67 -0.21 0.28 -2.27 0.00 0.00 179.45 177.57 1p3m h VAL 60 N 0.15 1.03 0.27 2.00 2.07 0.75 -0.61 116.25 121.91 1p3m h VAL 60 Ca 0.05 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 1p3m h VAL 60 Cb 0.52 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 1p3m h VAL 60 CO 0.02 0.21 -0.13 0.15 0.02 0.00 0.00 177.57 177.84 1p3m h PHE 61 N 0.00 -0.33 -0.51 1.57 3.57 -0.98 -0.99 116.94 119.28 1p3m h PHE 61 Ca -0.00 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.51 1p3m h PHE 61 Cb 0.40 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.22 1p3m h PHE 61 CO 0.00 0.03 0.31 -0.07 -2.23 0.00 0.00 178.31 176.36 1p3m h LEU 62 N -0.81 0.52 0.20 0.59 3.38 -1.15 -0.43 115.31 117.61 1p3m h LEU 62 Ca -0.04 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.94 1p3m h LEU 62 Cb 0.51 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1p3m h LEU 62 CO 0.06 0.37 -0.28 -0.33 0.09 0.00 0.00 178.44 178.35 1p3m h GLU 63 N 0.63 -0.52 -0.72 1.13 5.08 -1.11 0.77 114.58 119.85 1p3m h GLU 63 Ca 0.20 0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.67 1p3m h GLU 63 Cb -0.01 0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.31 1p3m h GLU 63 CO -0.08 -0.35 0.47 -0.91 -1.00 0.00 0.00 179.01 177.14 1p3m h ASN 64 N -0.54 0.62 0.12 1.42 2.35 -0.74 -1.78 115.58 117.02 1p3m h ASN 64 Ca 0.01 0.01 -0.24 0.00 -0.55 0.00 0.00 56.30 55.53 1p3m h ASN 64 Cb 0.54 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.78 1p3m h ASN 64 CO -0.11 0.39 -1.18 0.58 -1.65 0.00 0.00 177.43 175.46 1p3m h VAL 65 N 0.70 1.20 -0.54 2.81 2.07 -0.38 -3.29 116.25 118.82 1p3m h VAL 65 Ca 0.32 -2.43 -0.02 0.00 0.82 0.00 0.00 66.70 65.38 1p3m h VAL 65 Cb 0.32 2.86 -0.02 0.00 -1.52 0.00 0.00 31.29 32.93 1p3m h VAL 65 CO -0.11 0.69 0.24 0.40 0.02 0.00 0.00 177.57 178.82 1p3m h ILE 66 N -0.37 1.21 -0.64 4.57 2.04 0.61 -0.71 117.51 124.21 1p3m h ILE 66 Ca -0.25 -0.60 0.14 0.00 1.00 0.00 0.00 64.86 65.14 1p3m h ILE 66 Cb 1.68 0.61 -0.11 0.00 -0.74 0.00 0.00 36.82 38.26 1p3m h ILE 66 CO 0.07 0.24 -0.02 -0.09 0.00 0.00 0.00 178.15 178.36 1p3m h ARG 67 N 0.73 0.10 -0.01 2.37 2.43 -1.48 0.58 114.38 119.10 1p3m h ARG 67 Ca 0.18 -0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.21 1p3m h ARG 67 Cb 0.15 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 1p3m h ARG 67 CO -0.02 0.07 -0.64 -0.44 -1.51 0.00 0.00 179.97 177.42 1p3m h ASP 68 N 0.10 0.04 0.15 -3.80 3.32 -1.48 -2.38 116.42 112.37 1p3m h ASP 68 Ca 0.33 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.35 1p3m h ASP 68 Cb 0.55 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.09 1p3m h ASP 68 CO -0.56 0.67 -0.07 0.00 -1.72 0.00 0.00 179.24 177.56 1p3m h ALA 69 N 1.33 -0.20 -0.73 3.45 0.00 0.46 -2.79 119.26 120.77 1p3m h ALA 69 Ca -0.01 -0.22 0.15 0.00 0.00 0.00 0.00 54.91 54.83 1p3m h ALA 69 Cb 1.14 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.96 1p3m h ALA 69 CO 0.09 -0.37 0.49 0.28 0.00 0.00 0.00 179.25 179.75 1p3m h VAL 70 N -0.69 0.79 -0.51 0.00 2.07 0.07 0.37 116.25 118.35 1p3m h VAL 70 Ca -0.02 -0.13 -0.05 0.00 0.82 0.00 0.00 66.70 67.32 1p3m h VAL 70 Cb 0.50 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 1p3m h VAL 70 CO 0.03 0.07 0.10 0.74 0.02 0.00 0.00 177.57 178.53 1p3m h THR 71 N 0.37 1.22 -0.55 2.57 2.02 -1.29 -0.02 112.91 117.24 1p3m h THR 71 Ca 0.36 -0.83 -0.10 0.00 0.77 0.00 0.00 66.41 66.62 1p3m h THR 71 Cb 0.87 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.99 1p3m h THR 71 CO -0.11 0.30 -0.03 1.88 0.37 0.00 0.00 175.52 177.93 1p3m h TYR 72 N 0.75 1.06 0.04 3.16 0.99 -0.06 0.27 116.97 123.18 1p3m h TYR 72 Ca 0.16 -0.18 0.01 0.00 2.00 0.00 0.00 58.73 60.72 1p3m h TYR 72 Cb 0.31 -0.28 -0.02 0.00 1.00 0.00 0.00 36.73 37.75 1p3m h TYR 72 CO 0.02 0.96 -0.11 1.15 -0.00 0.00 0.00 178.16 180.18 1p3m h THR 73 N 0.89 0.74 -0.32 -2.88 2.02 0.10 -2.17 112.91 111.29 1p3m h THR 73 Ca 0.16 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.24 1p3m h THR 73 Cb 0.57 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 1p3m h THR 73 CO 0.03 0.00 -0.18 -0.33 0.37 0.00 0.00 175.52 175.41 1p3m h GLU 74 N -0.20 0.59 0.00 6.66 5.08 -0.90 -2.01 114.58 123.81 1p3m h GLU 74 Ca 0.03 -0.21 -0.04 0.00 -1.00 0.00 0.00 59.36 58.15 1p3m h GLU 74 Cb 0.23 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1p3m h GLU 74 CO -0.08 0.75 -0.17 1.25 -1.00 0.00 0.00 179.01 179.76 1p3m h HIS 75 N 0.53 0.00 -0.11 4.33 2.76 -0.57 -0.73 115.15 121.36 1p3m h HIS 75 Ca 0.09 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.26 1p3m h HIS 75 Cb 0.61 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.57 1p3m h HIS 75 CO 0.02 0.17 0.00 0.00 -1.30 0.00 0.00 177.93 176.83 1p3m n ALA 76 N -2.36 2.55 -3.55 5.26 0.00 -0.81 -4.92 120.51 116.67 1p3m n ALA 76 Ca -0.02 -0.45 -0.22 0.00 0.00 0.00 0.00 53.44 52.75 1p3m n ALA 76 Cb 0.26 -1.14 0.08 0.00 0.00 0.00 0.00 19.45 18.65 1p3m n ALA 76 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1p3m n LYS 77 N 0.13 -7.56 -4.44 0.00 5.02 -0.28 -4.99 118.16 106.03 1p3m n LYS 77 Ca 0.17 0.84 -0.30 0.00 -2.02 0.00 0.00 58.31 57.00 1p3m n LYS 77 Cb 0.30 -5.88 -0.06 0.00 -0.02 0.00 0.00 35.03 29.37 1p3m n LYS 77 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1p3m s ARG 78 N -6.01 2.19 0.00 1.97 0.52 -0.87 -5.04 118.95 111.71 1p3m s ARG 78 Ca 0.40 -2.20 0.00 0.00 -0.52 0.00 0.00 55.73 53.41 1p3m s ARG 78 Cb -0.18 -1.75 0.00 0.00 0.52 0.00 0.00 34.95 33.55 1p3m s ARG 78 CO 0.73 -0.36 0.74 1.17 0.02 0.00 0.00 175.30 177.61 1p3m n LYS 79 N -1.35 1.53 -3.76 3.54 4.81 -1.26 -4.61 118.16 117.06 1p3m n LYS 79 Ca -0.11 -1.01 -0.26 0.00 -0.87 0.00 0.00 58.31 56.07 1p3m n LYS 79 Cb 0.66 -0.79 -0.17 0.00 0.02 0.00 0.00 35.03 34.75 1p3m n LYS 79 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1p3m s THR 80 N -0.53 0.49 0.04 3.15 2.01 -1.26 -5.10 115.64 114.44 1p3m s THR 80 Ca 0.00 -0.25 -0.30 0.00 0.31 0.00 0.00 61.69 61.45 1p3m s THR 80 Cb 0.00 -0.82 -0.07 0.00 0.01 0.00 0.00 72.50 71.62 1p3m s THR 80 CO 0.00 0.03 1.57 -0.69 -0.69 0.00 0.00 174.62 174.84 1p3m s VAL 81 N 1.90 3.29 0.21 3.82 1.01 -1.26 -4.96 120.40 124.41 1p3m s VAL 81 Ca 0.02 0.70 0.01 0.00 0.00 0.00 0.00 61.98 62.71 1p3m s VAL 81 Cb -0.15 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 1p3m s VAL 81 CO -0.07 -0.01 0.37 0.42 0.00 0.00 0.00 175.10 175.82 1p3m s THR 82 N 2.65 5.24 0.34 3.92 -4.23 -1.26 -4.97 115.64 117.33 1p3m s THR 82 Ca 0.71 -0.57 0.10 0.00 -1.18 0.00 0.00 61.69 60.74 1p3m s THR 82 Cb -0.37 -3.77 0.33 0.00 1.34 0.00 0.00 72.50 70.03 1p3m s THR 82 CO 0.30 -0.21 1.80 0.00 -0.54 0.00 0.00 174.62 175.97 1p3m h ALA 83 N 1.78 1.84 -0.13 3.99 0.00 -1.93 0.52 119.26 125.33 1p3m h ALA 83 Ca -0.49 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.41 1p3m h ALA 83 Cb 1.20 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1p3m h ALA 83 CO 0.66 -0.19 -0.22 0.52 0.00 0.00 0.00 179.25 180.03 1p3m h MET 84 N 0.66 0.22 -0.73 0.00 2.86 -1.95 -1.00 114.93 115.00 1p3m h MET 84 Ca 0.54 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 58.12 1p3m h MET 84 Cb 0.98 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.58 1p3m h MET 84 CO -0.31 0.43 0.47 -0.44 1.06 0.00 0.00 176.91 178.12 1p3m h ASP 85 N 0.20 0.85 -0.18 1.22 5.19 -0.34 0.20 116.42 123.55 1p3m h ASP 85 Ca 0.04 -0.04 -0.12 0.00 -0.62 0.00 0.00 57.03 56.29 1p3m h ASP 85 Cb 0.50 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 39.80 1p3m h ASP 85 CO 0.03 0.63 -0.35 0.58 -3.12 0.00 0.00 179.24 177.01 1p3m h VAL 86 N 0.99 1.34 -0.15 -1.35 2.07 -1.11 -2.59 116.25 115.45 1p3m h VAL 86 Ca 0.26 -1.59 0.05 0.00 0.82 0.00 0.00 66.70 66.25 1p3m h VAL 86 Cb -0.09 1.90 -0.06 0.00 -1.52 0.00 0.00 31.29 31.52 1p3m h VAL 86 CO -0.05 0.49 -0.24 0.58 0.02 0.00 0.00 177.57 178.36 1p3m h VAL 87 N 0.22 0.42 -0.85 2.57 2.07 -0.92 0.56 116.25 120.32 1p3m h VAL 87 Ca 0.01 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.58 1p3m h VAL 87 Cb 0.95 0.42 -0.06 0.00 -1.52 0.00 0.00 31.29 31.08 1p3m h VAL 87 CO 0.08 0.00 0.53 1.88 0.02 0.00 0.00 177.57 180.08 1p3m h TYR 88 N -0.29 0.99 -0.11 1.57 0.99 -0.98 -1.96 116.97 117.17 1p3m h TYR 88 Ca 0.11 0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.84 1p3m h TYR 88 Cb 0.45 -0.32 -0.00 0.00 1.00 0.00 0.00 36.73 37.86 1p3m h TYR 88 CO -0.35 0.52 -0.00 0.00 -0.00 0.00 0.00 178.16 178.33 1p3m h ALA 89 N 1.38 0.14 -0.63 3.88 0.00 -0.98 -2.70 119.26 120.36 1p3m h ALA 89 Ca 0.36 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 55.16 1p3m h ALA 89 Cb 0.12 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.80 1p3m h ALA 89 CO -0.15 -0.16 0.29 -0.07 0.00 0.00 0.00 179.25 179.15 1p3m h LEU 90 N -0.09 0.35 -0.39 0.00 3.38 -0.79 0.39 115.31 118.16 1p3m h LEU 90 Ca 0.03 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.09 1p3m h LEU 90 Cb 0.37 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 1p3m h LEU 90 CO 0.01 0.21 0.19 0.50 0.09 0.00 0.00 178.44 179.44 1p3m h LYS 91 N 0.51 0.38 -0.14 1.13 3.64 -1.23 0.64 116.57 121.49 1p3m h LYS 91 Ca 0.31 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.67 1p3m h LYS 91 Cb 0.32 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 1p3m h LYS 91 CO -0.26 0.25 0.09 0.00 -2.27 0.00 0.00 179.45 177.27 1p3m h ARG 92 N 0.39 0.16 0.00 1.90 3.08 -0.97 0.22 114.38 119.16 1p3m h ARG 92 Ca 0.17 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.21 1p3m h ARG 92 Cb 0.08 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1p3m h ARG 92 CO -0.12 0.11 0.00 1.04 -1.07 0.00 0.00 179.97 179.93 1p3m n GLN 93 N -4.52 0.25 -1.42 0.04 1.13 0.03 -4.90 117.38 108.00 1p3m n GLN 93 Ca -0.01 0.25 0.00 0.00 -1.94 0.00 0.00 57.00 55.30 1p3m n GLN 93 Cb 0.10 -1.82 0.00 0.00 0.11 0.00 0.00 30.24 28.63 1p3m n GLN 93 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1p3m n GLY 94 N 1.09 0.67 1.86 1.08 0.00 0.77 -4.96 105.19 105.70 1p3m n GLY 94 Ca 0.05 -0.74 -0.17 0.00 0.00 0.00 0.00 46.02 45.16 1p3m n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p3m n ARG 95 N -1.37 3.10 -1.02 1.61 5.12 0.19 -4.98 116.66 119.32 1p3m n ARG 95 Ca 0.00 -3.95 -0.40 0.00 -1.93 0.00 0.00 57.85 51.57 1p3m n ARG 95 Cb 0.32 -2.09 -0.06 0.00 -1.16 0.00 0.00 32.46 29.47 1p3m n ARG 95 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 1p3m n THR 96 N -0.74 0.00 -5.02 0.55 -1.04 -1.24 -4.61 114.28 102.17 1p3m n THR 96 Ca 0.37 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 62.05 1p3m n THR 96 Cb 0.92 -0.20 -0.16 0.00 -1.82 0.00 0.00 70.33 69.07 1p3m n THR 96 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1p3m s LEU 97 N 1.17 2.27 -0.11 -4.42 2.96 -1.26 -5.00 118.68 114.30 1p3m s LEU 97 Ca 0.61 -0.50 -0.06 0.00 -0.22 0.00 0.00 54.13 53.96 1p3m s LEU 97 Cb -0.87 -1.47 -0.04 0.00 0.50 0.00 0.00 46.19 44.31 1p3m s LEU 97 CO 0.45 0.15 0.13 -0.31 -1.32 0.00 0.00 176.35 175.45 1p3m s TYR 98 N 0.41 3.55 0.00 5.38 2.02 -1.26 -4.62 117.35 122.82 1p3m s TYR 98 Ca -0.15 0.48 0.00 0.00 -0.37 0.00 0.00 57.07 57.03 1p3m s TYR 98 Cb -0.17 -1.91 0.00 0.00 -0.40 0.00 0.00 41.96 39.48 1p3m s TYR 98 CO 0.07 0.70 0.00 0.41 -1.57 0.00 0.00 175.55 175.16 1p3m n GLY 99 N 1.90 1.11 0.75 0.71 0.00 -1.26 -4.97 105.19 103.43 1p3m n GLY 99 Ca -0.19 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.84 1p3m n GLY 99 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1p3m n PHE 100 N -0.00 0.00 0.00 1.61 3.01 -1.26 -5.10 117.46 115.72 1p3m n PHE 100 Ca 0.00 -0.14 0.00 0.00 1.01 0.00 0.00 57.45 58.32 1p3m n PHE 100 Cb 0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 39.45 1p3m n PHE 100 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1p3m n GLY 101 N 0.12 3.51 0.00 1.37 0.00 -1.26 -4.37 105.19 104.56 1p3m n GLY 101 Ca 0.00 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.15 1p3m n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93