#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pfp h LEU 32 N 0.00 0.64 -0.82 0.00 5.85 -2.05 -2.92 115.31 116.01 1pfp h LEU 32 Ca 0.00 -0.79 0.15 0.00 0.84 0.00 0.00 57.88 58.08 1pfp h LEU 32 Cb 0.00 -0.20 -0.10 0.00 0.37 0.00 0.00 40.66 40.74 1pfp h LEU 32 CO 0.00 1.35 0.39 0.28 -0.34 0.00 0.00 178.44 180.12 1pfp h SER 33 N -0.00 0.43 0.22 1.25 0.02 -1.98 -1.34 113.55 112.15 1pfp h SER 33 Ca -0.11 0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 1pfp h SER 33 Cb 1.51 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 64.08 1pfp h SER 33 CO 0.15 0.17 -0.21 0.22 -1.14 0.00 0.00 176.83 176.02 1pfp h TYR 34 N 0.55 -0.59 -0.82 3.45 3.20 -1.94 -0.94 116.97 119.89 1pfp h TYR 34 Ca 0.45 0.00 0.18 0.00 3.14 0.00 0.00 58.73 62.51 1pfp h TYR 34 Cb 0.66 0.23 -0.12 0.00 1.54 0.00 0.00 36.73 39.05 1pfp h TYR 34 CO -0.12 -0.28 0.29 0.00 -1.64 0.00 0.00 178.16 176.41 1pfp h ARG 35 N -0.43 0.35 -0.18 1.82 3.08 -1.43 -1.22 114.38 116.38 1pfp h ARG 35 Ca -0.03 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 59.93 1pfp h ARG 35 Cb 0.37 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 1pfp h ARG 35 CO -0.02 0.23 -0.19 0.93 -1.07 0.00 0.00 179.97 179.85 1pfp h GLU 36 N 0.36 0.30 -0.08 0.04 5.08 -1.05 -1.24 114.58 117.99 1pfp h GLU 36 Ca 0.48 -0.09 -0.20 0.00 -1.00 0.00 0.00 59.36 58.55 1pfp h GLU 36 Cb 0.86 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1pfp h GLU 36 CO -0.51 0.49 -0.78 0.00 -1.00 0.00 0.00 179.01 177.21 1pfp h ALA 37 N 1.53 0.48 -0.47 3.43 0.00 -0.04 -2.02 119.26 122.15 1pfp h ALA 37 Ca 0.05 -0.62 -0.03 0.00 0.00 0.00 0.00 54.91 54.31 1pfp h ALA 37 Cb 0.50 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1pfp h ALA 37 CO 0.03 0.75 0.19 0.28 0.00 0.00 0.00 179.25 180.50 1pfp h VAL 38 N 0.34 1.21 -0.73 0.00 2.07 -0.78 -0.78 116.25 117.58 1pfp h VAL 38 Ca -0.05 -0.63 0.04 0.00 0.82 0.00 0.00 66.70 66.88 1pfp h VAL 38 Cb 1.38 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 31.85 1pfp h VAL 38 CO 0.14 0.24 0.48 -0.07 0.02 0.00 0.00 177.57 178.38 1pfp h LEU 39 N 0.62 0.74 -0.62 2.57 3.38 -1.10 -1.23 115.31 119.67 1pfp h LEU 39 Ca 0.16 -0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.98 1pfp h LEU 39 Cb 0.19 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1pfp h LEU 39 CO -0.01 0.50 -0.44 -0.09 0.09 0.00 0.00 178.44 178.48 1pfp h ARG 40 N 0.85 0.57 -0.73 1.13 2.43 -1.03 -2.48 114.38 115.13 1pfp h ARG 40 Ca 0.30 -0.31 -0.07 0.00 -0.81 0.00 0.00 59.98 59.09 1pfp h ARG 40 Cb 0.12 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 1pfp h ARG 40 CO -0.09 0.90 0.20 0.00 -1.51 0.00 0.00 179.97 179.47 1pfp h ALA 41 N 1.05 0.96 -0.94 2.80 0.00 -0.23 -1.10 119.26 121.80 1pfp h ALA 41 Ca 0.03 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1pfp h ALA 41 Cb 0.96 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 1pfp h ALA 41 CO 0.09 0.67 0.59 0.28 0.00 0.00 0.00 179.25 180.88 1pfp h VAL 42 N 1.10 1.25 -0.67 0.00 2.07 -1.09 0.22 116.25 119.13 1pfp h VAL 42 Ca 0.23 -0.51 -0.06 0.00 0.82 0.00 0.00 66.70 67.18 1pfp h VAL 42 Cb 0.35 -0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 29.99 1pfp h VAL 42 CO -0.00 0.26 0.18 0.44 0.02 0.00 0.00 177.57 178.47 1pfp h ASP 43 N 1.29 1.01 -0.08 0.57 3.32 -1.04 -1.46 116.42 120.03 1pfp h ASP 43 Ca 0.34 -0.22 -0.14 0.00 0.02 0.00 0.00 57.03 57.03 1pfp h ASP 43 Cb -0.09 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.18 1pfp h ASP 43 CO -0.07 0.97 -0.42 0.03 -1.72 0.00 0.00 179.24 178.03 1pfp h ARG 44 N 1.00 0.61 -0.98 3.56 3.08 -0.87 -1.97 114.38 118.81 1pfp h ARG 44 Ca 0.21 -0.32 0.05 0.00 0.07 0.00 0.00 59.98 59.99 1pfp h ARG 44 Cb 0.34 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.34 1pfp h ARG 44 CO -0.00 0.92 0.64 -0.07 -1.07 0.00 0.00 179.97 180.38 1pfp h LEU 45 N 0.50 1.05 -1.64 3.04 3.38 -0.62 0.48 115.31 121.50 1pfp h LEU 45 Ca 0.04 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1pfp h LEU 45 Cb 0.94 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 1pfp h LEU 45 CO 0.08 0.70 -0.13 0.78 0.09 0.00 0.00 178.44 179.97 1pfp h ASN 46 N 1.21 0.00 0.25 -0.43 2.35 -0.94 -1.91 115.58 116.11 1pfp h ASN 46 Ca 0.40 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.14 1pfp h ASN 46 Cb 0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.43 1pfp h ASN 46 CO -0.14 0.13 -0.12 -0.33 -1.65 0.00 0.00 177.43 175.32 1pfp h GLU 47 N 0.00 -0.32 0.00 0.81 4.39 -0.22 -3.32 114.58 115.92 1pfp h GLU 47 Ca -0.00 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1pfp h GLU 47 Cb 0.48 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1pfp h GLU 47 CO 0.02 -0.09 0.00 0.00 -1.16 0.00 0.00 179.01 177.78 1pfp n GLN 48 N -4.99 0.34 -2.91 2.33 10.64 -0.19 -4.74 117.38 117.85 1pfp n GLN 48 Ca -0.06 0.04 -0.32 0.00 -1.83 0.00 0.00 57.00 54.84 1pfp n GLN 48 Cb 0.19 -1.50 -0.05 0.00 -0.86 0.00 0.00 30.24 28.03 1pfp n GLN 48 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 1pfp s SER 49 N -2.15 6.68 0.00 2.61 0.15 -0.72 -4.97 113.70 115.30 1pfp s SER 49 Ca 0.17 1.30 0.00 0.00 0.70 0.00 0.00 55.95 58.12 1pfp s SER 49 Cb 0.08 -2.39 0.00 0.00 -1.71 0.00 0.00 66.02 62.01 1pfp s SER 49 CO 0.15 -0.34 0.66 -1.20 1.20 0.00 0.00 173.24 173.71 1pfp n SER 50 N -0.89 1.25 -4.62 5.45 7.64 -1.26 -5.01 113.62 116.18 1pfp n SER 50 Ca 0.04 -1.40 -0.37 0.00 1.01 0.00 0.00 58.87 58.15 1pfp n SER 50 Cb 0.54 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.80 1pfp n SER 50 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1pfp n GLU 51 N -0.20 0.79 0.21 1.43 1.02 -1.26 -4.93 120.64 117.70 1pfp n GLU 51 Ca 0.00 0.32 0.05 0.00 -0.02 0.00 0.00 57.16 57.51 1pfp n GLU 51 Cb 0.15 -2.20 0.47 0.00 -0.02 0.00 0.00 31.44 29.84 1pfp n GLU 51 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1pfp h ALA 52 N 0.26 1.52 -3.30 0.62 0.00 -2.00 -3.42 119.26 112.95 1pfp h ALA 52 Ca -0.48 -0.23 -0.51 0.00 0.00 0.00 0.00 54.91 53.69 1pfp h ALA 52 Cb 1.36 -0.04 -0.20 0.00 0.00 0.00 0.00 17.79 18.91 1pfp h ALA 52 CO 0.50 0.32 -0.80 -0.80 0.00 0.00 0.00 179.25 178.46 1pfp s ASN 53 N -6.88 2.41 0.41 0.00 0.01 -1.26 0.77 114.94 110.39 1pfp s ASN 53 Ca -0.03 -0.75 -0.25 0.00 -0.71 0.00 0.00 52.86 51.12 1pfp s ASN 53 Cb 0.15 -0.12 -0.08 0.00 0.41 0.00 0.00 41.25 41.60 1pfp s ASN 53 CO 0.70 -0.02 1.21 -0.76 -1.51 0.00 0.00 177.10 176.72 1pfp s LEU 54 N -2.20 4.17 0.12 0.60 1.43 -1.26 -4.63 118.68 116.91 1pfp s LEU 54 Ca 0.09 2.44 0.04 0.00 -1.03 0.00 0.00 54.13 55.67 1pfp s LEU 54 Cb -0.08 -4.02 -0.04 0.00 0.03 0.00 0.00 46.19 42.09 1pfp s LEU 54 CO 0.05 -0.78 0.10 -0.31 0.23 0.00 0.00 176.35 175.64 1pfp s TYR 55 N -1.38 3.16 0.06 0.29 1.51 -1.26 -1.23 117.35 118.50 1pfp s TYR 55 Ca 0.58 0.03 0.02 0.00 -1.01 0.00 0.00 57.07 56.68 1pfp s TYR 55 Cb -0.33 -1.56 -0.03 0.00 -0.11 0.00 0.00 41.96 39.93 1pfp s TYR 55 CO 0.41 0.52 -0.07 -0.98 -1.11 0.00 0.00 175.55 174.32 1pfp s ARG 56 N -2.74 0.63 0.01 -0.62 1.70 -0.60 -4.84 118.95 112.50 1pfp s ARG 56 Ca 0.30 -0.98 -0.33 0.00 -0.47 0.00 0.00 55.73 54.25 1pfp s ARG 56 Cb -0.11 -0.21 -0.12 0.00 -0.57 0.00 0.00 34.95 33.94 1pfp s ARG 56 CO 0.22 0.01 1.81 -0.11 -1.08 0.00 0.00 175.30 176.16 1pfp n LEU 57 N 0.86 3.53 -0.13 -1.89 7.94 -1.26 -1.48 117.00 124.58 1pfp n LEU 57 Ca -0.19 0.99 -0.20 0.00 -1.11 0.00 0.00 56.01 55.51 1pfp n LEU 57 Cb 0.57 -1.43 -0.12 0.00 0.53 0.00 0.00 43.42 42.98 1pfp n LEU 57 CO 0.24 -0.05 -1.34 -0.11 -1.11 0.00 0.00 177.39 175.02 1pfp n LEU 58 N 5.82 2.80 -3.63 -1.96 7.94 -0.14 -4.85 117.00 122.98 1pfp n LEU 58 Ca 0.20 -0.05 -0.12 0.00 -1.11 0.00 0.00 56.01 54.94 1pfp n LEU 58 Cb 0.32 -0.90 -0.07 0.00 0.53 0.00 0.00 43.42 43.29 1pfp n LEU 58 CO 0.69 0.88 0.47 -0.70 -1.11 0.00 0.00 177.39 177.62 1pfp s GLU 59 N -2.52 0.75 -0.34 1.96 2.12 -1.10 -4.99 118.70 114.59 1pfp s GLU 59 Ca -0.35 0.96 -0.04 0.00 0.36 0.00 0.00 54.97 55.90 1pfp s GLU 59 Cb 0.10 0.33 0.05 0.00 0.26 0.00 0.00 34.13 34.87 1pfp s GLU 59 CO 0.59 -0.10 0.08 -1.17 -0.54 0.00 0.00 175.26 174.12 1pfp s LEU 60 N 0.60 4.31 0.00 2.70 2.96 -1.26 -0.69 118.68 127.31 1pfp s LEU 60 Ca -0.02 -1.32 0.00 0.00 -0.22 0.00 0.00 54.13 52.57 1pfp s LEU 60 Cb -0.05 -1.81 0.00 0.00 0.50 0.00 0.00 46.19 44.83 1pfp s LEU 60 CO -0.04 -0.34 0.00 0.47 -1.32 0.00 0.00 176.35 175.12 1pfp n ASP 61 N 4.71 0.00 -4.96 3.68 8.00 -0.26 -4.99 116.55 122.73 1pfp n ASP 61 Ca -0.11 -0.97 -0.23 0.00 0.71 0.00 0.00 54.79 54.19 1pfp n ASP 61 Cb 0.44 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.51 1pfp n ASP 61 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pfp s GLN 62 N -2.76 3.44 -0.38 -1.24 -2.07 -1.26 -4.66 119.66 110.74 1pfp s GLN 62 Ca 0.00 -0.70 0.05 0.00 -1.82 0.00 0.00 55.36 52.89 1pfp s GLN 62 Cb 0.00 -2.91 0.28 0.00 -1.09 0.00 0.00 33.01 29.29 1pfp s GLN 62 CO 0.00 0.46 1.24 -3.47 -1.32 0.00 0.00 175.29 172.20 1pfp n ASP 69 N -1.14 -1.66 0.08 12.60 -0.08 -1.26 -4.54 116.55 120.55 1pfp n ASP 69 Ca -0.08 -2.45 0.12 0.00 -1.51 0.00 0.00 54.79 50.87 1pfp n ASP 69 Cb 0.56 1.31 0.28 0.00 2.34 0.00 0.00 41.12 45.61 1pfp n ASP 69 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1pfp n PRO 70 N 0.01 0.27 0.00 -0.67 -0.04 -1.26 -4.89 135.00 128.41 1pfp n PRO 70 Ca -0.07 0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1pfp n PRO 70 Cb 0.74 -1.73 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 1pfp n PRO 70 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1pfp n GLY 71 N 1.33 1.09 3.74 0.55 0.00 -1.26 -5.14 105.19 105.51 1pfp n GLY 71 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 1pfp n GLY 71 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1pfp s THR 72 N -1.04 2.02 0.44 2.61 -1.32 -1.26 -4.81 115.64 112.28 1pfp s THR 72 Ca 0.00 0.02 -0.22 0.00 -1.21 0.00 0.00 61.69 60.28 1pfp s THR 72 Cb 0.00 -3.01 -0.12 0.00 -1.51 0.00 0.00 72.50 67.86 1pfp s THR 72 CO 0.00 -0.00 0.57 -2.65 -2.21 0.00 0.00 174.62 170.33 1pfp n PRO 73 N -1.28 0.62 -4.39 7.08 -0.02 -1.26 -4.91 135.00 130.83 1pfp n PRO 73 Ca 0.12 0.23 -0.34 0.00 -2.02 0.00 0.00 63.50 61.48 1pfp n PRO 73 Cb 0.46 -1.56 -0.11 0.00 -0.02 0.00 0.00 33.50 32.27 1pfp n PRO 73 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1pfp s LYS 74 N -1.65 3.30 0.16 -0.52 -0.14 0.37 -4.88 119.74 116.38 1pfp s LYS 74 Ca 0.64 -0.47 -0.32 0.00 -1.36 0.00 0.00 55.97 54.47 1pfp s LYS 74 Cb -0.58 -2.84 -0.10 0.00 -1.68 0.00 0.00 37.83 32.62 1pfp s LYS 74 CO 0.58 0.49 1.57 -2.14 -0.76 0.00 0.00 175.35 175.08 1pfp s PRO 75 N -0.29 4.22 -0.03 -1.68 0.02 -1.26 -1.60 135.00 134.37 1pfp s PRO 75 Ca 0.06 2.36 0.07 0.00 0.02 0.00 0.00 61.00 63.50 1pfp s PRO 75 Cb -0.12 -3.16 -0.02 0.00 0.02 0.00 0.00 34.50 31.22 1pfp s PRO 75 CO 0.02 -0.60 -0.23 0.14 -0.33 0.00 0.00 177.00 175.99 1pfp s VAL 76 N 1.16 1.86 -0.07 3.83 -7.23 -1.11 -4.95 120.40 113.89 1pfp s VAL 76 Ca 0.70 -1.00 0.00 0.00 -1.81 0.00 0.00 61.98 59.88 1pfp s VAL 76 Cb -0.44 -1.56 0.02 0.00 0.56 0.00 0.00 36.38 34.97 1pfp s VAL 76 CO 0.31 0.53 -0.06 -0.55 -0.31 0.00 0.00 175.10 175.02 1pfp s SER 77 N -0.43 1.56 0.17 4.85 0.15 -1.26 -2.75 113.70 115.99 1pfp s SER 77 Ca 0.06 -0.20 -0.15 0.00 0.70 0.00 0.00 55.95 56.36 1pfp s SER 77 Cb -0.10 -0.62 0.02 0.00 -1.71 0.00 0.00 66.02 63.61 1pfp s SER 77 CO 0.00 -0.08 0.44 0.72 1.20 0.00 0.00 173.24 175.52 1pfp s PHE 78 N 1.29 -0.01 0.13 3.44 -0.71 -1.26 -1.10 117.98 119.75 1pfp s PHE 78 Ca -0.04 -0.34 0.06 0.00 -1.04 0.00 0.00 56.93 55.57 1pfp s PHE 78 Cb -0.14 0.26 -0.04 0.00 -1.21 0.00 0.00 43.02 41.89 1pfp s PHE 78 CO -0.02 -0.83 0.01 0.95 -1.34 0.00 0.00 175.22 173.99 1pfp s THR 79 N -3.88 3.92 0.11 -4.49 -4.23 0.14 -4.38 115.64 102.82 1pfp s THR 79 Ca 0.10 -1.16 0.05 0.00 -1.18 0.00 0.00 61.69 59.50 1pfp s THR 79 Cb 0.01 -2.91 -0.04 0.00 1.34 0.00 0.00 72.50 70.90 1pfp s THR 79 CO -0.04 0.02 -0.13 0.68 -0.54 0.00 0.00 174.62 174.61 1pfp s VAL 80 N -1.49 1.21 0.02 2.29 -7.23 0.13 -0.96 120.40 114.38 1pfp s VAL 80 Ca 0.27 -1.61 0.03 0.00 -1.81 0.00 0.00 61.98 58.85 1pfp s VAL 80 Cb -0.11 -1.40 -0.02 0.00 0.56 0.00 0.00 36.38 35.42 1pfp s VAL 80 CO 0.19 -0.40 -0.09 -0.75 -0.31 0.00 0.00 175.10 173.73 1pfp s LYS 81 N -2.48 0.66 0.41 4.82 2.20 -0.55 -0.24 119.74 124.57 1pfp s LYS 81 Ca 0.06 -0.56 -0.25 0.00 -0.36 0.00 0.00 55.97 54.85 1pfp s LYS 81 Cb -0.06 -0.59 -0.08 0.00 -1.51 0.00 0.00 37.83 35.59 1pfp s LYS 81 CO 0.02 0.14 1.25 -2.00 -0.36 0.00 0.00 175.35 174.41 1pfp s GLU 82 N -0.90 3.96 0.50 4.03 2.12 -0.33 -1.56 118.70 126.53 1pfp s GLU 82 Ca -0.01 2.02 0.05 0.00 0.36 0.00 0.00 54.97 57.39 1pfp s GLU 82 Cb -0.06 -2.70 -0.00 0.00 0.26 0.00 0.00 34.13 31.63 1pfp s GLU 82 CO 0.00 -0.46 0.24 0.95 -0.54 0.00 0.00 175.26 175.46 1pfp s THR 83 N -1.33 1.71 -1.37 -1.70 -4.23 -0.37 -1.13 115.64 107.22 1pfp s THR 83 Ca 0.58 -1.68 -0.15 0.00 -1.18 0.00 0.00 61.69 59.26 1pfp s THR 83 Cb -0.35 -2.39 0.02 0.00 1.34 0.00 0.00 72.50 71.12 1pfp s THR 83 CO 0.44 0.00 2.17 1.33 -0.54 0.00 0.00 174.62 178.03 1pfp n VAL 84 N -1.49 3.27 -4.35 2.29 0.24 -0.48 -4.51 118.33 113.29 1pfp n VAL 84 Ca -0.06 -2.88 -0.24 0.00 -2.04 0.00 0.00 64.34 59.12 1pfp n VAL 84 Cb 0.65 -2.56 -0.12 0.00 -1.47 0.00 0.00 33.84 30.34 1pfp n VAL 84 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1pfp s PRO 86 N 3.47 1.33 0.18 7.34 0.04 -1.26 -5.02 135.00 141.09 1pfp s PRO 86 Ca 0.49 -1.40 -0.11 0.00 0.04 0.00 0.00 61.00 60.02 1pfp s PRO 86 Cb 0.14 -1.52 0.10 0.00 0.04 0.00 0.00 34.50 33.26 1pfp s PRO 86 CO -0.06 0.32 1.75 -0.09 0.04 0.00 0.00 177.00 178.97 1pfp h ARG 87 N 3.39 0.97 -5.94 4.56 2.43 0.09 -3.30 114.38 116.58 1pfp h ARG 87 Ca -0.44 -0.17 -0.64 0.00 -0.81 0.00 0.00 59.98 57.91 1pfp h ARG 87 Cb 1.20 -0.16 -0.09 0.00 -0.42 0.00 0.00 29.97 30.50 1pfp h ARG 87 CO 0.48 0.81 1.84 -1.25 -1.51 0.00 0.00 179.97 180.34 1pfp s PRO 88 N -5.58 3.80 -0.20 0.20 0.04 -1.26 -4.73 135.00 127.27 1pfp s PRO 88 Ca -0.13 -1.60 -0.06 0.00 0.04 0.00 0.00 61.00 59.26 1pfp s PRO 88 Cb 0.14 -5.44 0.10 0.00 0.04 0.00 0.00 34.50 29.34 1pfp s PRO 88 CO 0.81 -2.22 0.39 0.99 0.04 0.00 0.00 177.00 177.01 1pfp s THR 89 N 4.50 -0.61 -2.00 1.26 2.01 -1.24 -5.03 115.64 114.53 1pfp s THR 89 Ca 0.50 0.12 0.06 0.00 0.31 0.00 0.00 61.69 62.68 1pfp s THR 89 Cb 0.02 -0.68 0.18 0.00 0.01 0.00 0.00 72.50 72.03 1pfp s THR 89 CO -0.01 0.03 1.06 0.54 -0.69 0.00 0.00 174.62 175.55 1pfp n ARG 90 N 5.38 0.79 -2.62 4.92 1.74 -1.26 -4.73 116.66 120.88 1pfp n ARG 90 Ca -0.07 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.60 1pfp n ARG 90 Cb 0.50 -1.13 -0.04 0.00 -1.02 0.00 0.00 32.46 30.77 1pfp n ARG 90 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1pfp s GLN 91 N -2.00 4.63 0.44 5.56 2.00 -1.26 -5.01 119.66 124.03 1pfp s GLN 91 Ca 0.10 1.57 -0.25 0.00 -2.00 0.00 0.00 55.36 54.78 1pfp s GLN 91 Cb 0.04 -3.34 -0.08 0.00 0.80 0.00 0.00 33.01 30.43 1pfp s GLN 91 CO 0.07 0.12 1.42 -2.14 -0.50 0.00 0.00 175.29 174.26 1pfp s PRO 92 N -0.02 3.73 0.43 1.67 0.02 -1.26 -4.87 135.00 134.69 1pfp s PRO 92 Ca 0.49 2.40 0.17 0.00 0.02 0.00 0.00 61.00 64.08 1pfp s PRO 92 Cb -0.26 -2.68 1.09 0.00 0.02 0.00 0.00 34.50 32.67 1pfp s PRO 92 CO 0.32 -0.78 1.89 -1.35 -0.33 0.00 0.00 177.00 176.75 1pfp h PRO 93 N 2.38 0.38 0.00 5.54 0.11 -1.93 -1.52 132.00 136.97 1pfp h PRO 93 Ca -0.51 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1pfp h PRO 93 Cb 1.26 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1pfp h PRO 93 CO 0.61 0.25 0.00 1.05 -0.21 0.00 0.00 178.00 179.70 1pfp h GLU 94 N 0.39 0.00 -3.16 1.05 4.11 -1.93 -3.44 114.58 111.60 1pfp h GLU 94 Ca 0.42 0.00 -0.71 0.00 0.07 0.00 0.00 59.36 59.13 1pfp h GLU 94 Cb 1.03 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.22 1pfp h GLU 94 CO -0.14 0.00 3.00 1.28 0.07 0.00 0.00 179.01 183.22 1pfp n LEU 95 N -2.49 7.86 -4.33 3.06 4.77 -0.57 -5.10 117.00 120.19 1pfp n LEU 95 Ca 0.01 -4.53 -0.30 0.00 -0.03 0.00 0.00 56.01 51.16 1pfp n LEU 95 Cb 0.24 -1.51 -0.15 0.00 -2.33 0.00 0.00 43.42 39.67 1pfp n LEU 95 CO 0.21 1.78 -0.57 -1.81 -1.33 0.00 0.00 177.39 175.67 1pfp s ASP 97 N 1.61 3.14 0.36 -1.43 1.01 -1.26 -5.06 116.67 115.04 1pfp s ASP 97 Ca 0.56 -0.55 -0.28 0.00 0.71 0.00 0.00 52.55 52.99 1pfp s ASP 97 Cb 0.16 -0.31 -0.11 0.00 1.01 0.00 0.00 42.92 43.67 1pfp s ASP 97 CO -0.06 0.28 1.50 -0.36 0.21 0.00 0.00 175.17 176.74 1pfp s PHE 98 N -0.74 2.62 -0.00 4.23 0.08 -1.26 -1.38 117.98 121.52 1pfp s PHE 98 Ca 0.11 1.11 -0.30 0.00 0.12 0.00 0.00 56.93 57.97 1pfp s PHE 98 Cb -0.10 -4.03 -0.04 0.00 -0.57 0.00 0.00 43.02 38.29 1pfp s PHE 98 CO 0.01 -3.07 1.10 0.21 -0.10 0.00 0.00 175.22 173.37 1pfp s LYS 99 N -1.83 4.46 0.09 0.44 2.20 -0.29 -4.64 119.74 120.17 1pfp s LYS 99 Ca 0.54 1.58 -0.33 0.00 -0.36 0.00 0.00 55.97 57.40 1pfp s LYS 99 Cb -0.47 -3.45 -0.12 0.00 -1.51 0.00 0.00 37.83 32.28 1pfp s LYS 99 CO 0.61 -0.23 1.74 -1.91 -0.36 0.00 0.00 175.35 175.19 1pfp n GLU 100 N 4.32 2.36 -2.53 4.03 4.07 -1.26 -1.54 120.64 130.08 1pfp n GLU 100 Ca 0.08 0.86 -0.15 0.00 -0.06 0.00 0.00 57.16 57.88 1pfp n GLU 100 Cb 0.48 -2.68 0.01 0.00 -0.06 0.00 0.00 31.44 29.19 1pfp n GLU 100 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1pfp n ASN 101 N 4.90 -4.68 -4.80 4.31 5.03 -1.26 -4.97 115.26 113.79 1pfp n ASN 101 Ca 0.19 -0.11 -0.37 0.00 0.87 0.00 0.00 54.58 55.16 1pfp n ASN 101 Cb 0.31 -3.68 -0.06 0.00 -1.02 0.00 0.00 39.78 35.33 1pfp n ASN 101 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1pfp s GLY 102 N -2.55 2.74 0.38 7.41 0.00 -0.59 -5.02 107.32 109.70 1pfp s GLY 102 Ca 0.10 0.26 -0.27 0.00 0.00 0.00 0.00 44.72 44.81 1pfp s GLY 102 CO 0.13 0.68 1.35 -2.13 0.00 0.00 0.00 173.10 173.12 1pfp n ARG 103 N 1.07 2.22 -4.76 2.90 0.63 -1.26 -4.61 116.66 112.85 1pfp n ARG 103 Ca -0.04 0.78 -0.33 0.00 -0.92 0.00 0.00 57.85 57.35 1pfp n ARG 103 Cb 0.50 -2.45 -0.13 0.00 0.45 0.00 0.00 32.46 30.83 1pfp n ARG 103 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1pfp s VAL 104 N -1.14 3.26 0.05 5.15 1.01 -1.26 -1.18 120.40 126.29 1pfp s VAL 104 Ca 0.57 -0.62 0.08 0.00 0.00 0.00 0.00 61.98 62.00 1pfp s VAL 104 Cb -0.52 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.50 1pfp s VAL 104 CO 0.61 0.56 -0.22 -0.54 0.00 0.00 0.00 175.10 175.51 1pfp s LYS 105 N -0.29 1.48 0.42 2.72 1.02 0.67 -1.24 119.74 124.52 1pfp s LYS 105 Ca 0.03 -0.99 0.08 0.00 0.02 0.00 0.00 55.97 55.11 1pfp s LYS 105 Cb -0.13 -1.62 0.00 0.00 -0.52 0.00 0.00 37.83 35.57 1pfp s LYS 105 CO 0.03 0.41 0.51 -1.14 -0.92 0.00 0.00 175.35 174.24 1pfp s GLN 106 N -1.22 2.73 0.00 1.68 2.00 -0.43 -0.69 119.66 123.73 1pfp s GLN 106 Ca 0.08 -1.34 0.00 0.00 -2.00 0.00 0.00 55.36 52.11 1pfp s GLN 106 Cb -0.09 -2.64 0.00 0.00 0.80 0.00 0.00 33.01 31.08 1pfp s GLN 106 CO 0.02 -0.25 0.00 1.33 -0.50 0.00 0.00 175.29 175.88 1pfp n VAL 108 N -1.76 0.00 0.00 1.34 0.24 -0.45 -1.46 118.33 116.24 1pfp n VAL 108 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.37 1pfp n VAL 108 Cb 0.60 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.97 1pfp n VAL 108 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1pfp n GLY 109 N -0.95 -0.29 3.36 7.63 0.00 -1.11 -1.32 105.19 112.50 1pfp n GLY 109 Ca 0.00 -0.16 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 1pfp n GLY 109 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pfp s THR 110 N 0.00 0.07 0.07 2.61 -4.23 -0.67 -2.75 115.64 110.74 1pfp s THR 110 Ca 0.00 -1.14 0.06 0.00 -1.18 0.00 0.00 61.69 59.43 1pfp s THR 110 Cb 0.00 -1.64 -0.03 0.00 1.34 0.00 0.00 72.50 72.17 1pfp s THR 110 CO 0.00 -0.32 -0.17 0.68 -0.54 0.00 0.00 174.62 174.28 1pfp s VAL 111 N -3.91 1.32 -0.09 2.29 -7.23 -0.63 -4.47 120.40 107.69 1pfp s VAL 111 Ca 0.12 -1.30 -0.15 0.00 -1.81 0.00 0.00 61.98 58.84 1pfp s VAL 111 Cb 0.02 -1.22 -0.05 0.00 0.56 0.00 0.00 36.38 35.69 1pfp s VAL 111 CO -0.04 -0.09 0.37 0.42 -0.31 0.00 0.00 175.10 175.45 1pfp s THR 112 N -1.11 5.18 0.37 5.32 -4.23 -1.26 -0.47 115.64 119.43 1pfp s THR 112 Ca 0.02 0.74 0.18 0.00 -1.18 0.00 0.00 61.69 61.45 1pfp s THR 112 Cb -0.09 -3.70 0.17 0.00 1.34 0.00 0.00 72.50 70.22 1pfp s THR 112 CO 0.03 0.46 1.91 -0.07 -0.54 0.00 0.00 174.62 176.40 1pfp h LEU 113 N 5.85 0.00 0.04 4.79 3.38 -1.91 -3.48 115.31 123.98 1pfp h LEU 113 Ca -0.46 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.51 1pfp h LEU 113 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1pfp h LEU 113 CO 0.69 0.27 -0.02 0.44 0.09 0.00 0.00 178.44 179.91 1pfp h ASP 114 N 0.00 -0.04 -3.76 -0.43 3.45 -1.94 -3.49 116.42 110.21 1pfp h ASP 114 Ca -0.00 -0.43 -0.66 0.00 0.43 0.00 0.00 57.03 56.36 1pfp h ASP 114 Cb 0.55 0.01 -0.21 0.00 -0.56 0.00 0.00 39.33 39.12 1pfp h ASP 114 CO 0.04 0.42 -0.85 -0.22 -1.57 0.00 0.00 179.24 177.05 1pfp s LEU 120 N -9.28 2.35 -0.45 1.55 2.96 -1.26 -5.20 118.68 109.35 1pfp s LEU 120 Ca -0.15 -0.77 0.07 0.00 -0.22 0.00 0.00 54.13 53.05 1pfp s LEU 120 Cb 0.02 -1.17 0.29 0.00 0.50 0.00 0.00 46.19 45.84 1pfp s LEU 120 CO 0.65 0.15 0.91 -0.90 -1.32 0.00 0.00 176.35 175.84 1pfp n ASP 121 N 0.76 -1.67 -4.17 3.68 3.85 -1.26 -5.10 116.55 112.64 1pfp n ASP 121 Ca -0.17 -3.35 -0.25 0.00 -0.71 0.00 0.00 54.79 50.31 1pfp n ASP 121 Cb 0.54 1.17 -0.15 0.00 -1.35 0.00 0.00 41.12 41.32 1pfp n ASP 121 CO 0.00 0.00 0.00 -0.63 -1.01 0.00 0.00 177.20 175.56 1pfp s ILE 122 N -0.24 1.40 0.18 2.12 1.09 -1.26 -1.67 121.20 122.82 1pfp s ILE 122 Ca 0.30 -0.79 0.00 0.00 -1.10 0.00 0.00 60.65 59.05 1pfp s ILE 122 Cb 0.27 -1.17 0.00 0.00 -1.06 0.00 0.00 42.46 40.50 1pfp s ILE 122 CO -0.12 0.37 0.01 0.35 -0.10 0.00 0.00 174.94 175.44 1pfp n THR 123 N 2.56 0.00 -3.65 2.92 -2.24 -0.44 -4.94 114.28 108.49 1pfp n THR 123 Ca -0.15 -0.84 -0.03 0.00 -2.27 0.00 0.00 64.05 60.76 1pfp n THR 123 Cb 0.54 0.14 -0.06 0.00 -2.10 0.00 0.00 70.33 68.85 1pfp n THR 123 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1pfp s ASN 125 N -2.00 -0.05 0.28 3.42 0.01 -0.54 -1.34 114.94 114.73 1pfp s ASN 125 Ca 0.01 0.08 -0.30 0.00 -0.71 0.00 0.00 52.86 51.94 1pfp s ASN 125 Cb -0.00 0.08 -0.11 0.00 0.41 0.00 0.00 41.25 41.63 1pfp s ASN 125 CO 0.00 -0.03 1.50 -0.70 -1.51 0.00 0.00 177.10 176.36 1pfp s GLU 126 N -0.36 4.20 0.09 -0.60 2.12 -1.26 -1.32 118.70 121.57 1pfp s GLU 126 Ca 0.08 2.43 -0.30 0.00 0.36 0.00 0.00 54.97 57.54 1pfp s GLU 126 Cb -0.04 -3.06 -0.06 0.00 0.26 0.00 0.00 34.13 31.24 1pfp s GLU 126 CO -0.13 -0.50 1.07 0.08 -0.54 0.00 0.00 175.26 175.24 1pfp s VAL 127 N -0.17 4.30 -2.65 3.70 1.01 -0.37 -4.86 120.40 121.35 1pfp s VAL 127 Ca 0.60 1.78 0.27 0.00 0.00 0.00 0.00 61.98 64.63 1pfp s VAL 127 Cb -0.44 -4.14 0.44 0.00 0.00 0.00 0.00 36.38 32.23 1pfp s VAL 127 CO 0.47 0.21 1.60 0.00 0.00 0.00 0.00 175.10 177.39