#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2keo s LYS 22 N 0.00 2.90 0.07 5.31 0.00 -1.26 -5.07 119.74 121.69 2keo s LYS 22 Ca 0.00 1.45 0.04 0.00 0.00 0.00 0.00 55.97 57.46 2keo s LYS 22 Cb 0.00 -1.96 -0.03 0.00 0.00 0.00 0.00 37.83 35.84 2keo s LYS 22 CO 0.00 -1.18 -0.12 0.54 0.00 0.00 0.00 175.35 174.59 2keo s VAL 23 N -2.21 0.95 -0.34 1.79 0.11 -1.26 -5.11 120.40 114.32 2keo s VAL 23 Ca 0.68 -1.31 -0.20 0.00 -2.93 0.00 0.00 61.98 58.22 2keo s VAL 23 Cb -0.21 -1.01 -0.00 0.00 -1.53 0.00 0.00 36.38 33.63 2keo s VAL 23 CO 0.39 -0.32 0.63 -0.89 -3.33 0.00 0.00 175.10 171.57 2keo s THR 24 N -1.50 4.91 -0.46 5.04 2.01 -1.26 -4.94 115.64 119.45 2keo s THR 24 Ca -0.03 0.63 -0.29 0.00 0.31 0.00 0.00 61.69 62.31 2keo s THR 24 Cb -0.09 -4.05 0.03 0.00 0.01 0.00 0.00 72.50 68.40 2keo s THR 24 CO 0.01 -0.27 1.17 -0.76 -0.69 0.00 0.00 174.62 174.09 2keo s LEU 25 N 2.66 3.65 -0.27 4.42 1.43 -1.26 -1.30 118.68 128.02 2keo s LEU 25 Ca 0.24 0.56 -0.18 0.00 -1.03 0.00 0.00 54.13 53.72 2keo s LEU 25 Cb -0.15 -3.55 -0.02 0.00 0.03 0.00 0.00 46.19 42.50 2keo s LEU 25 CO 0.14 -1.25 0.54 -0.69 0.23 0.00 0.00 176.35 175.33 2keo s VAL 26 N 4.52 5.04 0.63 -1.59 1.01 -0.36 -4.88 120.40 124.77 2keo s VAL 26 Ca 0.49 0.87 -0.10 0.00 0.00 0.00 0.00 61.98 63.24 2keo s VAL 26 Cb -0.08 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 32.41 2keo s VAL 26 CO 0.31 0.03 1.02 0.00 0.00 0.00 0.00 175.10 176.45 2keo s ARG 27 N 2.38 3.27 0.33 2.72 1.70 -1.26 -2.01 118.95 126.08 2keo s ARG 27 Ca 0.22 0.53 0.01 0.00 -0.47 0.00 0.00 55.73 56.02 2keo s ARG 27 Cb -0.15 -2.11 0.58 0.00 -0.57 0.00 0.00 34.95 32.70 2keo s ARG 27 CO 0.10 -0.71 2.00 0.97 -1.08 0.00 0.00 175.30 176.57 2keo h ILE 28 N -0.37 1.18 -0.04 4.99 2.10 -1.98 -2.35 117.51 121.04 2keo h ILE 28 Ca -0.45 -0.33 -0.16 0.00 1.08 0.00 0.00 64.86 65.00 2keo h ILE 28 Cb 1.22 0.18 -0.01 0.00 -1.09 0.00 0.00 36.82 37.12 2keo h ILE 28 CO 0.62 0.17 -0.67 0.00 -1.08 0.00 0.00 178.15 177.19 2keo h ALA 29 N 1.57 0.79 -0.70 0.18 0.00 -1.97 -3.29 119.26 115.83 2keo h ALA 29 Ca 0.25 -0.59 0.03 0.00 0.00 0.00 0.00 54.91 54.59 2keo h ALA 29 Cb -0.10 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 2keo h ALA 29 CO -0.05 0.79 0.44 0.22 0.00 0.00 0.00 179.25 180.65 2keo h ASP 30 N 0.13 0.73 -0.77 0.00 3.58 -1.80 -1.73 116.42 116.56 2keo h ASP 30 Ca -0.01 -0.00 0.13 0.00 0.42 0.00 0.00 57.03 57.56 2keo h ASP 30 Cb 1.21 -0.16 -0.09 0.00 1.72 0.00 0.00 39.33 42.01 2keo h ASP 30 CO 0.10 0.51 0.34 -0.07 -2.88 0.00 0.00 179.24 177.24 2keo h LEU 31 N 0.87 0.38 -0.35 2.28 3.38 -1.62 -0.99 115.31 119.25 2keo h LEU 31 Ca 0.28 0.09 -0.19 0.00 0.09 0.00 0.00 57.88 58.16 2keo h LEU 31 Cb 0.00 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 2keo h LEU 31 CO -0.10 0.17 -0.64 -0.33 0.09 0.00 0.00 178.44 177.63 2keo h GLU 32 N 0.52 0.67 -0.43 1.13 4.39 -1.47 -0.96 114.58 118.43 2keo h GLU 32 Ca 0.41 -0.47 -0.15 0.00 0.34 0.00 0.00 59.36 59.49 2keo h GLU 32 Cb 0.58 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.29 2keo h GLU 32 CO -0.36 1.09 -0.31 -0.91 -1.16 0.00 0.00 179.01 177.36 2keo h ASN 33 N 0.49 1.02 -0.56 1.42 2.35 -1.03 -1.86 115.58 117.40 2keo h ASN 33 Ca -0.01 -0.43 -0.10 0.00 -0.55 0.00 0.00 56.30 55.20 2keo h ASN 33 Cb 1.22 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 39.29 2keo h ASN 33 CO 0.13 1.23 -0.06 0.45 -1.65 0.00 0.00 177.43 177.54 2keo h HIS 34 N 0.81 1.13 -0.96 1.19 3.86 -1.16 -0.99 115.15 119.03 2keo h HIS 34 Ca 0.08 -0.22 0.01 0.00 -1.16 0.00 0.00 60.37 59.09 2keo h HIS 34 Cb 0.90 -0.29 -0.05 0.00 1.06 0.00 0.00 27.41 29.03 2keo h HIS 34 CO 0.06 1.03 0.64 -0.97 0.86 0.00 0.00 177.93 179.55 2keo h ASN 35 N 0.91 1.09 0.32 2.45 -0.00 -1.09 0.33 115.58 119.59 2keo h ASN 35 Ca 0.15 -0.03 -0.11 0.00 -0.00 0.00 0.00 56.30 56.32 2keo h ASN 35 Cb 0.62 -0.27 -0.01 0.00 -0.00 0.00 0.00 38.32 38.65 2keo h ASN 35 CO 0.04 0.79 -0.44 -1.13 -0.00 0.00 0.00 177.43 176.68 2keo h ASN 36 N 1.29 0.17 0.68 1.15 -0.73 -1.08 -2.98 115.58 114.08 2keo h ASN 36 Ca 0.36 -0.07 -0.15 0.00 1.87 0.00 0.00 56.30 58.30 2keo h ASN 36 Cb -0.13 -0.05 -0.02 0.00 0.27 0.00 0.00 38.32 38.39 2keo h ASN 36 CO -0.08 0.59 -0.72 -0.78 -0.37 0.00 0.00 177.43 176.07 2keo h ASP 37 N 0.13 0.04 0.00 1.15 3.58 -0.36 -3.47 116.42 117.49 2keo h ASP 37 Ca 0.01 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.43 2keo h ASP 37 Cb 0.84 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.88 2keo h ASP 37 CO 0.06 0.75 0.00 0.61 -2.88 0.00 0.00 179.24 177.78 2keo n GLY 38 N 0.54 0.88 3.57 -0.78 0.00 -0.26 -5.05 105.19 104.09 2keo n GLY 38 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 2keo n GLY 38 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2keo s GLY 39 N -1.54 0.90 -0.49 -0.02 0.00 0.10 -4.95 107.32 101.32 2keo s GLY 39 Ca 0.00 -2.35 -0.28 0.00 0.00 0.00 0.00 44.72 42.09 2keo s GLY 39 CO 0.00 3.09 1.41 -0.12 0.00 0.00 0.00 173.10 177.48 2keo s PHE 40 N 7.32 2.34 0.27 1.90 2.19 -1.26 -3.26 117.98 127.48 2keo s PHE 40 Ca 0.59 0.58 0.09 0.00 0.33 0.00 0.00 56.93 58.52 2keo s PHE 40 Cb 0.00 -4.35 -0.04 0.00 -1.31 0.00 0.00 43.02 37.32 2keo s PHE 40 CO 0.05 -1.96 0.05 -1.58 1.83 0.00 0.00 175.22 173.61 2keo s TRP 41 N 5.80 2.78 -0.07 10.12 0.52 -1.26 -1.37 118.94 135.45 2keo s TRP 41 Ca 0.56 -0.22 -0.13 0.00 0.02 0.00 0.00 56.10 56.33 2keo s TRP 41 Cb -0.12 -1.29 0.03 0.00 -1.15 0.00 0.00 33.47 30.93 2keo s TRP 41 CO 0.29 0.56 0.32 -0.08 0.02 0.00 0.00 176.95 178.06 2keo s THR 42 N -2.30 0.03 -0.23 2.01 -1.32 -0.37 -4.92 115.64 108.54 2keo s THR 42 Ca 0.33 -0.23 -0.04 0.00 -1.21 0.00 0.00 61.69 60.53 2keo s THR 42 Cb -0.06 -0.54 -0.01 0.00 -1.51 0.00 0.00 72.50 70.39 2keo s THR 42 CO 0.21 -0.13 -0.02 -0.69 -2.21 0.00 0.00 174.62 171.78 2keo s VAL 43 N -0.54 3.47 -0.26 5.08 1.01 -1.26 -1.54 120.40 126.36 2keo s VAL 43 Ca -0.06 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.40 2keo s VAL 43 Cb -0.04 -2.62 0.08 0.00 0.00 0.00 0.00 36.38 33.80 2keo s VAL 43 CO 0.02 0.37 0.01 -0.63 0.00 0.00 0.00 175.10 174.87 2keo s ILE 44 N 1.48 1.35 -1.19 2.22 1.01 -0.38 -4.85 121.20 120.84 2keo s ILE 44 Ca 0.05 -1.34 -0.05 0.00 0.00 0.00 0.00 60.65 59.30 2keo s ILE 44 Cb -0.15 -1.79 -0.02 0.00 0.01 0.00 0.00 42.46 40.51 2keo s ILE 44 CO -0.02 -0.33 0.83 -0.67 0.00 0.00 0.00 174.94 174.75 2keo n ASP 45 N 4.70 -3.57 0.00 3.58 2.03 -1.26 -2.52 116.55 119.51 2keo n ASP 45 Ca -0.07 -0.79 0.00 0.00 0.52 0.00 0.00 54.79 54.45 2keo n ASP 45 Cb 0.44 -4.44 0.00 0.00 -0.72 0.00 0.00 41.12 36.39 2keo n ASP 45 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2keo n GLY 46 N -1.42 0.25 3.22 0.27 0.00 -1.26 -4.98 105.19 101.28 2keo n GLY 46 Ca -0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 2keo n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2keo s LYS 47 N -1.01 3.13 -0.20 1.61 -0.14 -1.05 -1.15 119.74 120.94 2keo s LYS 47 Ca 0.00 -0.79 -0.13 0.00 -1.36 0.00 0.00 55.97 53.69 2keo s LYS 47 Cb 0.00 -2.57 -0.05 0.00 -1.68 0.00 0.00 37.83 33.53 2keo s LYS 47 CO 0.00 -0.03 0.27 0.08 -0.76 0.00 0.00 175.35 174.91 2keo s VAL 48 N 0.89 5.30 0.24 3.17 1.01 -0.46 -1.25 120.40 129.31 2keo s VAL 48 Ca -0.04 0.45 0.06 0.00 0.00 0.00 0.00 61.98 62.45 2keo s VAL 48 Cb -0.15 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.57 2keo s VAL 48 CO -0.02 0.35 -0.06 -0.31 0.00 0.00 0.00 175.10 175.05 2keo s TYR 49 N 0.83 1.75 0.37 5.22 2.02 -0.59 -2.39 117.35 124.57 2keo s TYR 49 Ca 0.14 -0.74 -0.00 0.00 -0.37 0.00 0.00 57.07 56.10 2keo s TYR 49 Cb -0.13 -0.96 -0.03 0.00 -0.40 0.00 0.00 41.96 40.43 2keo s TYR 49 CO 0.04 0.20 0.59 0.16 -1.57 0.00 0.00 175.55 174.97 2keo s ASP 50 N -3.36 6.27 -0.06 2.29 1.47 -1.23 -1.24 116.67 120.81 2keo s ASP 50 Ca 0.27 0.50 0.06 0.00 1.18 0.00 0.00 52.55 54.57 2keo s ASP 50 Cb 0.03 -2.03 -0.09 0.00 -0.34 0.00 0.00 42.92 40.49 2keo s ASP 50 CO 0.09 -0.35 0.06 -0.38 0.68 0.00 0.00 175.17 175.26 2keo n ILE 51 N -1.86 0.37 -0.03 2.11 2.08 -0.47 -4.49 119.36 117.06 2keo n ILE 51 Ca -0.04 -0.27 -0.13 0.00 0.56 0.00 0.00 62.75 62.87 2keo n ILE 51 Cb 0.56 -0.56 -0.09 0.00 -0.75 0.00 0.00 39.64 38.80 2keo n ILE 51 CO 0.00 0.00 0.00 0.07 0.56 0.00 0.00 176.55 177.18 2keo h LYS 52 N 0.00 0.12 -0.04 0.38 2.10 -1.93 -1.75 116.57 115.45 2keo h LYS 52 Ca -0.15 -0.07 -0.22 0.00 -2.00 0.00 0.00 60.65 58.22 2keo h LYS 52 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 2keo h LYS 52 CO 0.01 0.60 -0.89 0.22 -2.00 0.00 0.00 179.45 177.38 2keo h ASP 53 N -0.36 0.63 -0.24 7.07 3.58 -1.91 -3.11 116.42 122.09 2keo h ASP 53 Ca 0.01 -0.47 0.06 0.00 0.42 0.00 0.00 57.03 57.04 2keo h ASP 53 Cb 0.58 -0.19 -0.07 0.00 1.72 0.00 0.00 39.33 41.36 2keo h ASP 53 CO 0.01 1.26 -0.35 0.15 -2.88 0.00 0.00 179.24 177.43 2keo h PHE 54 N 0.31 -0.99 0.00 0.28 3.57 -1.78 -0.56 116.94 117.77 2keo h PHE 54 Ca -0.07 0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.42 2keo h PHE 54 Cb 1.51 0.47 -0.01 0.00 2.79 0.00 0.00 35.95 40.71 2keo h PHE 54 CO 0.07 -0.41 -0.28 -0.56 -2.23 0.00 0.00 178.31 174.89 2keo h GLN 55 N -0.36 0.00 -0.10 1.11 3.07 -1.39 -1.45 115.11 115.98 2keo h GLN 55 Ca 0.12 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.76 2keo h GLN 55 Cb 0.56 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.11 2keo h GLN 55 CO -0.44 0.28 -0.39 1.15 0.09 0.00 0.00 178.83 179.51 2keo h THR 56 N 0.00 1.30 0.00 1.86 2.02 -1.30 -2.96 112.91 113.83 2keo h THR 56 Ca -0.00 -1.47 -0.02 0.00 0.77 0.00 0.00 66.41 65.69 2keo h THR 56 Cb 0.60 1.67 -0.00 0.00 -1.74 0.00 0.00 68.15 68.67 2keo h THR 56 CO 0.04 0.44 -0.11 1.56 0.37 0.00 0.00 175.52 177.81 2keo h GLN 57 N 0.17 0.00 0.00 6.66 1.08 -0.05 -2.69 115.11 120.28 2keo h GLN 57 Ca 0.02 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 2keo h GLN 57 Cb 0.78 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.21 2keo h GLN 57 CO 0.06 0.11 0.00 0.77 -0.95 0.00 0.00 178.83 178.82 2keo h SER 58 N 0.00 0.00 0.70 1.46 0.02 -1.29 -2.31 113.55 112.12 2keo h SER 58 Ca -0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 2keo h SER 58 Cb 0.89 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.43 2keo h SER 58 CO 0.01 0.00 -0.27 0.25 -1.14 0.00 0.00 176.83 175.68 2keo h LEU 59 N 0.00 0.00 -8.93 5.07 5.85 -1.52 -3.41 115.31 112.37 2keo h LEU 59 Ca 0.00 0.00 -0.60 0.00 0.84 0.00 0.00 57.88 58.12 2keo h LEU 59 Cb 0.39 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 41.32 2keo h LEU 59 CO 0.00 0.27 0.42 -0.89 -0.34 0.00 0.00 178.44 177.91 2keo s THR 60 N -3.82 4.79 0.35 1.05 2.01 -0.87 -4.94 115.64 114.20 2keo s THR 60 Ca -0.01 1.25 0.17 0.00 0.31 0.00 0.00 61.69 63.41 2keo s THR 60 Cb 0.12 -4.15 0.14 0.00 0.01 0.00 0.00 72.50 68.61 2keo s THR 60 CO 0.65 -0.24 1.87 -0.08 -0.69 0.00 0.00 174.62 176.13 2keo h GLU 61 N 8.07 0.00 -2.96 4.92 4.81 -1.85 -3.15 114.58 124.41 2keo h GLU 61 Ca -0.24 0.00 -0.74 0.00 -0.13 0.00 0.00 59.36 58.25 2keo h GLU 61 Cb 1.09 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 30.36 2keo h GLU 61 CO 0.89 0.32 2.45 -1.71 -0.73 0.00 0.00 179.01 180.22 2keo n ASN 62 N -3.93 7.08 -3.82 1.04 5.15 -1.26 -4.74 115.26 114.79 2keo n ASN 62 Ca -0.02 -3.07 -0.11 0.00 -0.60 0.00 0.00 54.58 50.78 2keo n ASN 62 Cb 0.38 -1.42 -0.08 0.00 -0.53 0.00 0.00 39.78 38.13 2keo n ASN 62 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 2keo s SER 63 N 0.75 -0.04 0.56 1.20 0.01 -1.19 -5.03 113.70 109.97 2keo s SER 63 Ca 0.51 -0.23 0.28 0.00 1.31 0.00 0.00 55.95 57.82 2keo s SER 63 Cb 0.16 0.29 1.67 0.00 0.21 0.00 0.00 66.02 68.35 2keo s SER 63 CO -0.06 -0.52 2.19 0.16 0.41 0.00 0.00 173.24 175.42 2keo h ILE 64 N 3.60 0.59 -0.01 1.44 3.07 -1.89 -2.81 117.51 121.50 2keo h ILE 64 Ca -0.31 -0.17 0.00 0.00 1.55 0.00 0.00 64.86 65.93 2keo h ILE 64 Cb 1.19 1.10 0.00 0.00 -0.27 0.00 0.00 36.82 38.84 2keo h ILE 64 CO 0.45 0.04 0.00 0.18 -1.05 0.00 0.00 178.15 177.77 2keo n LEU 65 N -3.85 0.65 0.11 0.16 4.77 -1.26 -3.45 117.00 114.13 2keo n LEU 65 Ca -0.03 -0.22 -0.03 0.00 -0.03 0.00 0.00 56.01 55.70 2keo n LEU 65 Cb 0.13 -0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.30 2keo n LEU 65 CO 0.29 0.11 0.39 0.00 -1.33 0.00 0.00 177.39 176.85 2keo h ALA 66 N 4.12 0.77 -0.00 -1.18 0.00 -1.71 -1.22 119.26 120.04 2keo h ALA 66 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.24 2keo h ALA 66 Cb 0.22 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2keo h ALA 66 CO 0.00 0.92 -0.19 0.00 0.00 0.00 0.00 179.25 179.98 2keo n GLN 67 N -3.64 0.43 -0.17 0.00 10.64 -1.22 -3.28 117.38 120.14 2keo n GLN 67 Ca -0.01 -0.17 0.07 0.00 -1.83 0.00 0.00 57.00 55.06 2keo n GLN 67 Cb 0.72 -1.50 0.16 0.00 -0.86 0.00 0.00 30.24 28.76 2keo n GLN 67 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 2keo n PHE 68 N -1.14 0.44 -2.31 2.61 3.72 -1.05 -4.96 117.46 114.77 2keo n PHE 68 Ca 0.11 -0.40 -0.42 0.00 -0.05 0.00 0.00 57.45 56.69 2keo n PHE 68 Cb 0.31 -0.02 -0.03 0.00 -0.94 0.00 0.00 39.48 38.80 2keo n PHE 68 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2keo s ALA 69 N -1.02 3.53 0.00 4.37 0.00 -0.49 -2.43 121.76 125.73 2keo s ALA 69 Ca 0.25 0.84 0.00 0.00 0.00 0.00 0.00 51.96 53.05 2keo s ALA 69 Cb 0.14 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.71 2keo s ALA 69 CO 0.18 -0.76 0.00 0.41 0.00 0.00 0.00 175.76 175.59 2keo n GLY 70 N 3.49 2.95 3.81 0.00 0.00 -1.26 -5.05 105.19 109.12 2keo n GLY 70 Ca 0.12 -0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 2keo n GLY 70 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2keo s GLU 71 N 0.00 3.59 0.04 1.61 2.56 -1.02 -4.99 118.70 120.49 2keo s GLU 71 Ca 0.00 1.23 -0.33 0.00 0.00 0.00 0.00 54.97 55.87 2keo s GLU 71 Cb 0.00 -2.07 -0.12 0.00 2.00 0.00 0.00 34.13 33.94 2keo s GLU 71 CO 0.00 -0.59 1.77 -3.47 -0.56 0.00 0.00 175.26 172.41 2keo n ASP 72 N -1.55 3.46 0.26 -1.70 -0.08 -1.26 -4.88 116.55 110.80 2keo n ASP 72 Ca 0.09 1.01 0.13 0.00 -1.51 0.00 0.00 54.79 54.51 2keo n ASP 72 Cb 0.53 -1.43 0.71 0.00 2.34 0.00 0.00 41.12 43.27 2keo n ASP 72 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2keo h PRO 73 N 8.00 0.00 -0.02 -0.67 0.13 -1.94 0.84 132.00 138.34 2keo h PRO 73 Ca -0.47 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.60 2keo h PRO 73 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2keo h PRO 73 CO 0.93 0.12 -0.22 0.28 -0.23 0.00 0.00 178.00 178.88 2keo h VAL 74 N 0.00 1.51 -0.28 1.56 2.07 -1.96 -1.61 116.25 117.55 2keo h VAL 74 Ca -0.00 -1.81 -0.06 0.00 0.82 0.00 0.00 66.70 65.65 2keo h VAL 74 Cb 0.40 2.61 -0.02 0.00 -1.52 0.00 0.00 31.29 32.76 2keo h VAL 74 CO 0.02 0.50 -0.09 0.58 0.02 0.00 0.00 177.57 178.59 2keo h VAL 75 N -0.44 1.21 -0.18 2.57 2.07 -1.87 -0.34 116.25 119.28 2keo h VAL 75 Ca -0.02 -0.91 -0.16 0.00 0.82 0.00 0.00 66.70 66.44 2keo h VAL 75 Cb 0.93 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 2keo h VAL 75 CO 0.04 0.30 -0.54 0.00 0.02 0.00 0.00 177.57 177.39 2keo h ALA 76 N 1.48 0.74 -0.32 1.67 0.00 -0.89 -0.78 119.26 121.15 2keo h ALA 76 Ca 0.09 -0.51 -0.11 0.00 0.00 0.00 0.00 54.91 54.38 2keo h ALA 76 Cb 0.42 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2keo h ALA 76 CO 0.02 0.69 -0.22 1.25 0.00 0.00 0.00 179.25 180.99 2keo h LEU 77 N 0.40 0.76 -0.48 0.00 5.85 -0.83 -1.30 115.31 119.71 2keo h LEU 77 Ca 0.01 -0.44 -0.07 0.00 0.84 0.00 0.00 57.88 58.22 2keo h LEU 77 Cb 1.07 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 2keo h LEU 77 CO 0.10 1.03 0.02 -0.33 -0.34 0.00 0.00 178.44 178.92 2keo h GLU 78 N 0.49 0.84 -0.60 1.25 5.08 -1.00 -0.28 114.58 120.36 2keo h GLU 78 Ca 0.06 -0.25 -0.04 0.00 -1.00 0.00 0.00 59.36 58.13 2keo h GLU 78 Cb 0.78 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.92 2keo h GLU 78 CO 0.06 0.87 0.22 0.00 -1.00 0.00 0.00 179.01 179.16 2keo h ALA 79 N 0.94 1.25 -0.47 3.43 0.00 -1.16 -1.31 119.26 121.94 2keo h ALA 79 Ca 0.14 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 2keo h ALA 79 Cb 0.47 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2keo h ALA 79 CO 0.02 0.54 0.01 0.00 0.00 0.00 0.00 179.25 179.83 2keo h ALA 80 N 1.36 0.63 -0.18 0.00 0.00 -0.87 -2.74 119.26 117.47 2keo h ALA 80 Ca 0.20 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 2keo h ALA 80 Cb 0.21 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2keo h ALA 80 CO -0.01 0.42 -0.30 -0.07 0.00 0.00 0.00 179.25 179.28 2keo h LEU 81 N 0.68 0.36 -0.98 0.00 3.38 -0.71 -1.94 115.31 116.11 2keo h LEU 81 Ca 0.13 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2keo h LEU 81 Cb 0.49 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2keo h LEU 81 CO 0.02 0.65 0.00 0.00 0.09 0.00 0.00 178.44 179.20 2keo n GLN 82 N -4.10 1.65 -4.23 1.13 6.02 -0.52 -4.81 117.38 112.52 2keo n GLN 82 Ca -0.01 -0.97 -0.25 0.00 -0.01 0.00 0.00 57.00 55.76 2keo n GLN 82 Cb 0.42 -1.43 -0.17 0.00 1.02 0.00 0.00 30.24 30.09 2keo n GLN 82 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 2keo s PHE 83 N -1.88 1.38 0.29 1.08 5.36 -1.04 -5.06 117.98 118.10 2keo s PHE 83 Ca 0.35 -0.58 -0.01 0.00 -0.96 0.00 0.00 56.93 55.72 2keo s PHE 83 Cb 0.19 -1.09 0.46 0.00 -0.34 0.00 0.00 43.02 42.23 2keo s PHE 83 CO 0.29 -0.37 1.92 1.05 -1.46 0.00 0.00 175.22 176.65 2keo h GLU 84 N 7.54 1.09 -0.02 10.12 4.11 -1.87 -1.20 114.58 134.35 2keo h GLU 84 Ca -0.31 -0.07 -0.12 0.00 0.07 0.00 0.00 59.36 58.93 2keo h GLU 84 Cb 1.16 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 2keo h GLU 84 CO 0.44 0.72 -0.57 -0.44 0.07 0.00 0.00 179.01 179.23 2keo h ASP 85 N 1.12 0.06 -0.01 3.06 5.19 -1.97 -3.24 116.42 120.63 2keo h ASP 85 Ca 0.38 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.76 2keo h ASP 85 Cb 0.08 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.58 2keo h ASP 85 CO -0.13 0.62 -0.72 0.35 -3.12 0.00 0.00 179.24 176.24 2keo n THR 86 N -3.87 0.00 1.62 0.35 -2.24 -0.87 -4.16 114.28 105.11 2keo n THR 86 Ca -0.01 -0.14 0.14 0.00 -2.27 0.00 0.00 64.05 61.76 2keo n THR 86 Cb 0.58 1.10 0.61 0.00 -2.10 0.00 0.00 70.33 70.52 2keo n THR 86 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 2keo n ARG 87 N -0.89 1.46 -0.03 -0.78 -4.01 -0.51 -4.03 116.66 107.87 2keo n ARG 87 Ca 0.06 -0.67 -0.13 0.00 -1.04 0.00 0.00 57.85 56.06 2keo n ARG 87 Cb 0.36 -1.46 -0.11 0.00 -3.04 0.00 0.00 32.46 28.21 2keo n ARG 87 CO 0.00 0.00 0.00 0.93 -3.04 0.00 0.00 177.63 175.52 2keo h GLU 88 N 1.56 0.03 0.00 2.89 4.39 -1.72 -3.23 114.58 118.50 2keo h GLU 88 Ca 0.00 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2keo h GLU 88 Cb 0.33 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 2keo h GLU 88 CO 0.00 0.65 0.00 1.03 -1.16 0.00 0.00 179.01 179.53 2keo h SER 89 N -0.59 0.00 0.46 1.42 0.87 -1.85 -3.01 113.55 110.84 2keo h SER 89 Ca -0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 2keo h SER 89 Cb 0.65 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.61 2keo h SER 89 CO 0.00 0.00 -0.02 0.24 -0.53 0.00 0.00 176.83 176.52 2keo h MET 90 N 0.00 0.00 -0.44 2.24 2.86 -1.72 -2.15 114.93 115.73 2keo h MET 90 Ca 0.00 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2keo h MET 90 Cb 0.55 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.18 2keo h MET 90 CO 0.00 0.02 0.27 0.45 1.06 0.00 0.00 176.91 178.71 2keo h HIS 91 N 0.00 0.56 -0.19 -0.22 3.86 -1.66 0.33 115.15 117.83 2keo h HIS 91 Ca -0.00 0.01 -0.06 0.00 -1.16 0.00 0.00 60.37 59.15 2keo h HIS 91 Cb 0.26 -0.19 -0.00 0.00 1.06 0.00 0.00 27.41 28.54 2keo h HIS 91 CO 0.00 0.37 -0.13 0.00 0.86 0.00 0.00 177.93 179.03 2keo h ALA 92 N 1.70 0.27 0.00 2.45 0.00 -1.62 -3.13 119.26 118.93 2keo h ALA 92 Ca 0.16 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2keo h ALA 92 Cb -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2keo h ALA 92 CO -0.03 0.13 0.00 0.74 0.00 0.00 0.00 179.25 180.09 2keo h PHE 93 N 0.10 0.00 -0.70 0.00 0.04 -1.53 -3.41 116.94 111.44 2keo h PHE 93 Ca 0.04 0.00 -0.33 0.00 2.80 0.00 0.00 57.97 60.48 2keo h PHE 93 Cb 0.64 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.74 2keo h PHE 93 CO 0.07 0.00 0.88 0.00 -0.60 0.00 0.00 178.31 178.66 2keo h VAL 95 N 6.99 0.90 0.00 0.00 -1.51 -1.71 -3.49 116.25 117.43 2keo h VAL 95 Ca 0.13 -2.01 0.00 0.00 -1.23 0.00 0.00 66.70 63.60 2keo h VAL 95 Cb 0.99 2.26 0.00 0.00 -2.13 0.00 0.00 31.29 32.41 2keo h VAL 95 CO 1.23 0.46 0.00 0.61 -1.23 0.00 0.00 177.57 178.65 2keo n GLY 96 N 0.87 -0.59 3.78 5.19 0.00 -1.24 -4.49 105.19 108.70 2keo n GLY 96 Ca 0.01 -1.08 -0.36 0.00 0.00 0.00 0.00 46.02 44.59 2keo n GLY 96 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2keo s GLN 97 N -2.00 3.95 0.06 1.61 0.74 -0.42 -1.36 119.66 122.24 2keo s GLN 97 Ca 0.00 -0.07 -0.31 0.00 0.05 0.00 0.00 55.36 55.03 2keo s GLN 97 Cb 0.00 -3.33 -0.06 0.00 1.10 0.00 0.00 33.01 30.72 2keo s GLN 97 CO 0.00 0.47 1.27 -0.47 -0.55 0.00 0.00 175.29 176.01 2keo s TYR 98 N -0.16 3.31 -0.06 1.67 5.04 -0.30 -1.23 117.35 125.62 2keo s TYR 98 Ca 0.13 1.15 0.01 0.00 -2.44 0.00 0.00 57.07 55.93 2keo s TYR 98 Cb -0.12 -3.51 0.02 0.00 0.35 0.00 0.00 41.96 38.69 2keo s TYR 98 CO 0.02 -1.69 -0.06 -1.17 -1.34 0.00 0.00 175.55 171.31 2keo s LEU 99 N 1.27 1.33 0.24 6.97 1.98 -0.85 -4.82 118.68 124.79 2keo s LEU 99 Ca 0.61 -0.18 -0.26 0.00 -2.89 0.00 0.00 54.13 51.41 2keo s LEU 99 Cb -0.31 -0.58 -0.09 0.00 0.66 0.00 0.00 46.19 45.87 2keo s LEU 99 CO 0.29 -0.05 0.85 -1.61 -1.89 0.00 0.00 176.35 173.94 2keo s GLU 100 N 1.03 4.59 0.40 1.98 2.02 -1.26 -4.26 118.70 123.19 2keo s GLU 100 Ca -0.09 1.23 0.07 0.00 0.02 0.00 0.00 54.97 56.20 2keo s GLU 100 Cb -0.14 -3.08 0.84 0.00 0.10 0.00 0.00 34.13 31.85 2keo s GLU 100 CO -0.00 0.45 2.03 -1.00 0.02 0.00 0.00 175.26 176.76 2keo h PRO 101 N 3.82 0.59 -0.33 0.39 0.13 -1.99 -1.01 132.00 133.59 2keo h PRO 101 Ca -0.47 -0.04 -0.17 0.00 -0.87 0.00 0.00 66.00 64.45 2keo h PRO 101 Cb 1.20 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 2keo h PRO 101 CO 0.66 0.39 -0.47 0.22 -0.23 0.00 0.00 178.00 178.57 2keo h ASP 102 N 0.60 0.98 0.14 1.44 3.58 -1.93 -3.20 116.42 118.03 2keo h ASP 102 Ca 0.20 -0.49 -0.08 0.00 0.42 0.00 0.00 57.03 57.08 2keo h ASP 102 Cb 0.06 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 40.82 2keo h ASP 102 CO -0.05 1.29 -0.29 -0.61 -2.88 0.00 0.00 179.24 176.69 2keo h GLN 103 N 0.71 0.25 -0.01 0.28 5.75 -1.31 0.35 115.11 121.12 2keo h GLN 103 Ca 0.04 -0.09 -0.00 0.00 -0.15 0.00 0.00 58.65 58.44 2keo h GLN 103 Cb 1.07 -0.02 -0.00 0.00 1.07 0.00 0.00 27.48 29.61 2keo h GLN 103 CO 0.11 0.53 0.00 1.49 -2.65 0.00 0.00 178.83 178.31 2keo h GLU 104 N 0.22 0.02 -0.31 1.69 4.22 -1.39 -3.27 114.58 115.76 2keo h GLU 104 Ca 0.03 -0.01 -0.14 0.00 0.08 0.00 0.00 59.36 59.32 2keo h GLU 104 Cb 0.64 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 2keo h GLU 104 CO 0.05 0.29 -0.38 0.78 -2.18 0.00 0.00 179.01 177.56 2keo h GLY 105 N -0.24 0.80 -5.45 1.92 0.00 -1.49 -3.45 103.07 95.15 2keo h GLY 105 Ca 0.00 -0.79 -0.14 0.00 0.00 0.00 0.00 47.33 46.40 2keo h GLY 105 CO 0.00 0.72 -0.32 0.54 0.00 0.00 0.00 176.54 177.48 2keo s VAL 106 N -4.34 -0.01 -0.21 4.60 0.11 0.09 -5.12 120.40 115.52 2keo s VAL 106 Ca -0.09 0.04 -0.06 0.00 -2.93 0.00 0.00 61.98 58.94 2keo s VAL 106 Cb 0.12 -0.52 -0.03 0.00 -1.53 0.00 0.00 36.38 34.42 2keo s VAL 106 CO 0.85 0.02 0.04 0.28 -3.33 0.00 0.00 175.10 172.96 2keo s THR 107 N 0.62 4.34 0.04 5.04 -1.32 -1.26 -3.77 115.64 119.33 2keo s THR 107 Ca -0.03 -0.18 -0.31 0.00 -1.21 0.00 0.00 61.69 59.96 2keo s THR 107 Cb -0.05 -2.98 -0.06 0.00 -1.51 0.00 0.00 72.50 67.90 2keo s THR 107 CO -0.04 0.41 1.34 -0.63 -2.21 0.00 0.00 174.62 173.49 2keo s ILE 108 N 0.98 3.70 1.15 5.08 1.01 -1.26 -5.03 121.20 126.84 2keo s ILE 108 Ca 0.03 1.16 -0.13 0.00 0.00 0.00 0.00 60.65 61.71 2keo s ILE 108 Cb -0.14 -3.75 0.27 0.00 0.01 0.00 0.00 42.46 38.85 2keo s ILE 108 CO 0.02 0.04 1.04 -2.84 0.00 0.00 0.00 174.94 173.21 2keo s PRO 109 N 1.74 -0.80 -0.10 2.79 0.02 -1.26 -4.93 135.00 132.47 2keo s PRO 109 Ca 0.62 0.64 0.03 0.00 0.02 0.00 0.00 61.00 62.32 2keo s PRO 109 Cb -0.32 -1.58 0.24 0.00 0.02 0.00 0.00 34.50 32.86 2keo s PRO 109 CO 0.28 -3.59 1.02 -0.40 -0.33 0.00 0.00 177.00 173.98 2keo n ASP 110 N -4.80 2.73 -4.57 2.53 5.75 -1.26 -4.78 116.55 112.16 2keo n ASP 110 Ca 0.04 -2.36 -0.40 0.00 -0.01 0.00 0.00 54.79 52.06 2keo n ASP 110 Cb 0.56 -0.57 -0.02 0.00 -1.03 0.00 0.00 41.12 40.05 2keo n ASP 110 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2keo s LEU 111 N -0.92 3.59 0.00 -2.12 1.43 -1.26 -5.39 118.68 114.01 2keo s LEU 111 Ca 0.17 -1.80 0.00 0.00 -1.03 0.00 0.00 54.13 51.48 2keo s LEU 111 Cb 0.14 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 43.78 2keo s LEU 111 CO 0.04 -1.53 0.00 0.61 0.23 0.00 0.00 176.35 175.70