#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 0.39 0.11 3.49 0.00 -1.26 -5.18 119.74 117.29 2keo s LYS 22 Ca 0.00 0.10 0.06 0.00 0.00 0.00 0.00 55.97 56.13 2keo s LYS 22 Cb 0.00 0.18 -0.04 0.00 0.00 0.00 0.00 37.83 37.97 2keo s LYS 22 CO 0.00 -0.07 -0.05 0.54 0.00 0.00 0.00 175.35 175.76 2keo s VAL 23 N -0.42 3.62 -0.44 1.79 0.11 -1.26 -5.09 120.40 118.70 2keo s VAL 23 Ca -0.05 -1.22 -0.29 0.00 -2.93 0.00 0.00 61.98 57.48 2keo s VAL 23 Cb -0.04 -2.73 0.02 0.00 -1.53 0.00 0.00 36.38 32.11 2keo s VAL 23 CO 0.01 0.07 1.20 -0.89 -3.33 0.00 0.00 175.10 172.16 2keo s THR 24 N -1.34 4.17 -0.62 5.04 2.01 -1.26 -4.91 115.64 118.72 2keo s THR 24 Ca 0.24 1.21 -0.27 0.00 0.31 0.00 0.00 61.69 63.19 2keo s THR 24 Cb -0.11 -4.48 0.04 0.00 0.01 0.00 0.00 72.50 67.96 2keo s THR 24 CO 0.16 -0.88 1.14 -0.76 -0.69 0.00 0.00 174.62 173.60 2keo s LEU 25 N 4.58 3.58 -0.28 4.42 1.43 -1.26 -0.39 118.68 130.76 2keo s LEU 25 Ca 0.51 -0.20 -0.17 0.00 -1.03 0.00 0.00 54.13 53.25 2keo s LEU 25 Cb -0.09 -2.90 -0.03 0.00 0.03 0.00 0.00 46.19 43.20 2keo s LEU 25 CO 0.30 -1.51 0.46 -0.69 0.23 0.00 0.00 176.35 175.14 2keo s VAL 26 N 4.87 5.10 0.63 -1.59 1.01 -0.43 -4.85 120.40 125.13 2keo s VAL 26 Ca 0.37 0.66 -0.07 0.00 0.00 0.00 0.00 61.98 62.94 2keo s VAL 26 Cb -0.09 -3.81 0.02 0.00 0.00 0.00 0.00 36.38 32.50 2keo s VAL 26 CO 0.21 0.05 0.95 -0.60 0.00 0.00 0.00 175.10 175.70 2keo s ARG 27 N 2.24 2.78 0.36 2.72 3.52 -1.26 -1.23 118.95 128.08 2keo s ARG 27 Ca 0.18 0.01 0.07 0.00 -0.13 0.00 0.00 55.73 55.86 2keo s ARG 27 Cb -0.16 -2.22 0.77 0.00 -1.56 0.00 0.00 34.95 31.78 2keo s ARG 27 CO 0.10 -0.84 1.95 0.97 -0.81 0.00 0.00 175.30 176.67 2keo h ILE 28 N -0.31 0.99 -0.87 4.11 2.10 -1.97 -2.34 117.51 119.22 2keo h ILE 28 Ca -0.45 -0.25 0.04 0.00 1.08 0.00 0.00 64.86 65.28 2keo h ILE 28 Cb 1.27 0.20 -0.06 0.00 -1.09 0.00 0.00 36.82 37.14 2keo h ILE 28 CO 0.61 0.13 0.55 0.00 -1.08 0.00 0.00 178.15 178.36 2keo h ALA 29 N 1.61 1.16 -0.31 0.18 0.00 -1.95 -2.29 119.26 117.66 2keo h ALA 29 Ca 0.33 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.15 2keo h ALA 29 Cb 0.34 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2keo h ALA 29 CO -0.12 0.36 -0.06 -0.44 0.00 0.00 0.00 179.25 178.99 2keo h ASP 30 N 1.05 0.48 -0.27 0.00 5.19 -1.80 -0.73 116.42 120.32 2keo h ASP 30 Ca 0.36 -0.11 -0.00 0.00 -0.62 0.00 0.00 57.03 56.66 2keo h ASP 30 Cb 0.07 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.44 2keo h ASP 30 CO -0.14 0.59 0.17 -0.07 -3.12 0.00 0.00 179.24 176.67 2keo h LEU 31 N 0.48 0.33 -0.34 1.55 3.38 -1.40 -1.55 115.31 117.74 2keo h LEU 31 Ca 0.10 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 2keo h LEU 31 Cb 0.41 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2keo h LEU 31 CO 0.02 0.28 0.03 -0.33 0.09 0.00 0.00 178.44 178.52 2keo h GLU 32 N 0.35 0.58 -0.01 1.13 4.39 -1.13 -1.68 114.58 118.22 2keo h GLU 32 Ca 0.10 -0.17 -0.00 0.00 0.34 0.00 0.00 59.36 59.63 2keo h GLU 32 Cb 0.01 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.60 2keo h GLU 32 CO -0.02 0.68 0.00 -0.91 -1.16 0.00 0.00 179.01 177.61 2keo h ASN 33 N 0.40 0.01 0.00 1.42 2.35 -1.13 -1.21 115.58 117.43 2keo h ASN 33 Ca 0.10 -0.13 -0.13 0.00 -0.55 0.00 0.00 56.30 55.59 2keo h ASN 33 Cb 0.40 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 2keo h ASN 33 CO 0.01 0.14 -0.39 -0.74 -1.65 0.00 0.00 177.43 174.80 2keo h HIS 34 N -0.12 0.60 -0.58 1.19 2.76 -1.27 0.38 115.15 118.10 2keo h HIS 34 Ca 0.00 -0.17 -0.03 0.00 -2.20 0.00 0.00 60.37 57.97 2keo h HIS 34 Cb 0.13 -0.13 -0.03 0.00 1.55 0.00 0.00 27.41 28.94 2keo h HIS 34 CO -0.03 0.82 0.25 -0.97 -1.30 0.00 0.00 177.93 176.70 2keo h ASN 35 N 0.42 0.79 0.22 3.26 -1.24 -1.11 -0.71 115.58 117.21 2keo h ASN 35 Ca 0.04 -0.16 -0.08 0.00 0.71 0.00 0.00 56.30 56.81 2keo h ASN 35 Cb 0.87 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 39.71 2keo h ASN 35 CO 0.07 0.73 -0.32 -1.13 -1.29 0.00 0.00 177.43 175.49 2keo h ASN 36 N 0.80 0.17 1.11 1.15 -0.73 -0.62 -2.33 115.58 115.13 2keo h ASN 36 Ca 0.20 -0.06 0.00 0.00 1.87 0.00 0.00 56.30 58.31 2keo h ASN 36 Cb 0.18 -0.05 0.00 0.00 0.27 0.00 0.00 38.32 38.72 2keo h ASN 36 CO -0.02 0.50 0.00 0.44 -0.37 0.00 0.00 177.43 177.98 2keo h ASP 37 N 0.15 0.00 0.00 1.15 3.32 -0.60 -3.47 116.42 116.97 2keo h ASP 37 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 2keo h ASP 37 Cb 0.65 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.20 2keo h ASP 37 CO 0.05 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.18 2keo n GLY 38 N 0.24 1.74 2.58 2.75 0.00 -0.87 -5.08 105.19 106.55 2keo n GLY 38 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.00 0.39 -0.41 -0.02 0.00 -0.31 -5.02 107.32 99.96 2keo s GLY 39 Ca 0.00 -0.67 -0.29 0.00 0.00 0.00 0.00 44.72 43.76 2keo s GLY 39 CO 0.00 1.94 1.37 -0.12 0.00 0.00 0.00 173.10 176.29 2keo s PHE 40 N 2.13 2.47 -0.02 1.90 5.36 -1.26 -2.75 117.98 125.81 2keo s PHE 40 Ca 0.06 0.70 -0.03 0.00 -0.96 0.00 0.00 56.93 56.69 2keo s PHE 40 Cb -0.16 -4.28 -0.04 0.00 -0.34 0.00 0.00 43.02 38.20 2keo s PHE 40 CO -0.24 -1.88 0.18 -1.58 -1.46 0.00 0.00 175.22 170.24 2keo s TRP 41 N 5.21 3.55 0.02 10.12 0.52 -1.26 -1.20 118.94 135.91 2keo s TRP 41 Ca 0.59 0.38 -0.01 0.00 0.02 0.00 0.00 56.10 57.08 2keo s TRP 41 Cb -0.13 -1.84 -0.02 0.00 -1.15 0.00 0.00 33.47 30.33 2keo s TRP 41 CO 0.31 0.66 -0.01 -0.08 0.02 0.00 0.00 176.95 177.85 2keo s THR 42 N -1.29 0.12 -0.26 2.01 -1.32 -0.92 -4.98 115.64 109.00 2keo s THR 42 Ca 0.26 -1.02 -0.09 0.00 -1.21 0.00 0.00 61.69 59.63 2keo s THR 42 Cb -0.13 -0.47 -0.04 0.00 -1.51 0.00 0.00 72.50 70.36 2keo s THR 42 CO 0.17 -0.56 0.13 0.54 -2.21 0.00 0.00 174.62 172.69 2keo s VAL 43 N -1.82 4.83 -0.08 5.08 0.11 -1.26 -1.40 120.40 125.85 2keo s VAL 43 Ca -0.12 0.01 0.00 0.00 -2.93 0.00 0.00 61.98 58.93 2keo s VAL 43 Cb -0.07 -3.28 0.02 0.00 -1.53 0.00 0.00 36.38 31.52 2keo s VAL 43 CO -0.02 0.30 -0.06 -0.63 -3.33 0.00 0.00 175.10 171.35 2keo s ILE 44 N 1.64 0.82 -1.52 7.04 1.01 0.02 -4.85 121.20 125.36 2keo s ILE 44 Ca 0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 60.65 60.49 2keo s ILE 44 Cb -0.15 -0.85 0.00 0.00 0.01 0.00 0.00 42.46 41.47 2keo s ILE 44 CO 0.07 0.32 0.19 -0.67 0.00 0.00 0.00 174.94 174.85 2keo n ASP 45 N 4.59 -5.47 0.00 3.58 2.03 -1.26 -1.61 116.55 118.41 2keo n ASP 45 Ca -0.16 -0.10 0.00 0.00 0.52 0.00 0.00 54.79 55.05 2keo n ASP 45 Cb 0.50 -4.45 0.00 0.00 -0.72 0.00 0.00 41.12 36.45 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 -1.17 0.58 3.70 0.27 0.00 -1.26 -5.03 105.19 102.28 2keo n GLY 46 Ca -0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.18 2.49 -0.05 1.61 -0.14 -0.63 -1.30 119.74 121.54 2keo s LYS 47 Ca 0.00 -1.28 0.04 0.00 -1.36 0.00 0.00 55.97 53.37 2keo s LYS 47 Cb 0.00 -2.30 -0.02 0.00 -1.68 0.00 0.00 37.83 33.83 2keo s LYS 47 CO 0.00 0.38 -0.16 0.08 -0.76 0.00 0.00 175.35 174.89 2keo s VAL 48 N -2.22 2.92 0.09 3.17 1.01 -0.41 -0.80 120.40 124.16 2keo s VAL 48 Ca 0.31 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.55 2keo s VAL 48 Cb -0.07 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 2keo s VAL 48 CO 0.21 0.59 -0.09 -0.31 0.00 0.00 0.00 175.10 175.50 2keo s TYR 49 N -0.69 0.98 -0.43 5.22 1.51 -0.49 -1.52 117.35 121.92 2keo s TYR 49 Ca 0.11 -0.69 -0.13 0.00 -1.01 0.00 0.00 57.07 55.35 2keo s TYR 49 Cb -0.11 -0.55 0.06 0.00 -0.11 0.00 0.00 41.96 41.25 2keo s TYR 49 CO 0.00 -0.04 0.31 0.34 -1.11 0.00 0.00 175.55 175.05 2keo s ASP 50 N -2.48 5.93 0.27 2.29 -1.08 -1.22 -2.17 116.67 118.22 2keo s ASP 50 Ca 0.05 -1.23 0.03 0.00 -0.52 0.00 0.00 52.55 50.88 2keo s ASP 50 Cb -0.02 -2.10 0.39 0.00 -1.46 0.00 0.00 42.92 39.73 2keo s ASP 50 CO -0.01 -0.54 1.70 0.40 0.52 0.00 0.00 175.17 177.24 2keo h ILE 51 N 5.84 1.28 -0.87 4.11 1.08 -1.53 -2.73 117.51 124.68 2keo h ILE 51 Ca -0.26 -1.37 0.01 0.00 -0.39 0.00 0.00 64.86 62.85 2keo h ILE 51 Cb 1.10 1.46 -0.04 0.00 -3.07 0.00 0.00 36.82 36.27 2keo h ILE 51 CO 0.78 0.43 0.58 0.50 -0.69 0.00 0.00 178.15 179.74 2keo h LYS 52 N 0.38 1.13 -0.20 2.37 3.64 -1.94 -2.21 116.57 119.75 2keo h LYS 52 Ca 0.05 -0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 59.30 2keo h LYS 52 Cb 0.74 -0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 32.30 2keo h LYS 52 CO 0.06 0.75 -0.13 0.22 -2.27 0.00 0.00 179.45 178.08 2keo h ASP 53 N 1.17 0.46 -0.22 4.20 3.58 -1.90 -2.99 116.42 120.71 2keo h ASP 53 Ca 0.32 -0.43 0.03 0.00 0.42 0.00 0.00 57.03 57.37 2keo h ASP 53 Cb -0.12 -0.13 -0.07 0.00 1.72 0.00 0.00 39.33 40.74 2keo h ASP 53 CO -0.08 0.79 -0.52 0.15 -2.88 0.00 0.00 179.24 176.71 2keo h PHE 54 N 0.13 -1.57 0.00 0.28 3.57 -1.15 -0.78 116.94 117.43 2keo h PHE 54 Ca 0.04 0.07 -0.04 0.00 3.53 0.00 0.00 57.97 61.57 2keo h PHE 54 Cb 0.63 0.71 -0.01 0.00 2.79 0.00 0.00 35.95 40.08 2keo h PHE 54 CO 0.07 -0.50 -0.18 -0.56 -2.23 0.00 0.00 178.31 174.92 2keo h GLN 55 N -0.49 0.00 -0.21 1.11 3.07 -1.51 -2.21 115.11 114.87 2keo h GLN 55 Ca 0.04 0.00 -0.13 0.00 0.09 0.00 0.00 58.65 58.66 2keo h GLN 55 Cb 0.61 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.16 2keo h GLN 55 CO -0.47 0.18 -0.40 1.15 0.09 0.00 0.00 178.83 179.37 2keo h THR 56 N 0.00 1.30 0.00 1.86 2.02 -1.18 -2.95 112.91 113.96 2keo h THR 56 Ca -0.00 -1.56 0.00 0.00 0.77 0.00 0.00 66.41 65.62 2keo h THR 56 Cb 0.31 1.58 0.00 0.00 -1.74 0.00 0.00 68.15 68.31 2keo h THR 56 CO 0.02 0.49 0.00 0.00 0.37 0.00 0.00 175.52 176.40 2keo n GLN 57 N -4.03 0.19 -0.12 6.66 1.13 -0.38 -1.81 117.38 119.02 2keo n GLN 57 Ca -0.02 0.39 0.03 0.00 -1.94 0.00 0.00 57.00 55.46 2keo n GLN 57 Cb 0.51 -1.84 0.08 0.00 0.11 0.00 0.00 30.24 29.10 2keo n GLN 57 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2keo n SER 58 N -2.19 1.21 0.22 1.08 2.88 -1.11 -4.14 113.62 111.57 2keo n SER 58 Ca 0.02 -2.05 0.06 0.00 -1.33 0.00 0.00 58.87 55.58 2keo n SER 58 Cb 0.24 -0.22 0.52 0.00 -0.75 0.00 0.00 64.21 64.00 2keo n SER 58 CO 0.00 0.00 0.00 0.17 -1.23 0.00 0.00 175.04 173.98 2keo h LEU 59 N 0.99 0.00 -9.46 2.46 -0.00 -1.51 -3.43 115.31 104.36 2keo h LEU 59 Ca 0.00 0.00 -0.57 0.00 -0.00 0.00 0.00 57.88 57.31 2keo h LEU 59 Cb 0.38 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 40.98 2keo h LEU 59 CO 0.03 0.21 -0.01 -0.89 -0.00 0.00 0.00 178.44 177.77 2keo s THR 60 N -4.44 4.98 0.37 0.15 2.01 -1.26 -4.98 115.64 112.47 2keo s THR 60 Ca -0.03 1.24 0.18 0.00 0.31 0.00 0.00 61.69 63.38 2keo s THR 60 Cb 0.15 -3.93 0.16 0.00 0.01 0.00 0.00 72.50 68.89 2keo s THR 60 CO 0.68 0.37 1.90 1.05 -0.69 0.00 0.00 174.62 177.93 2keo h GLU 61 N 6.03 0.00 -3.73 4.92 9.09 -1.96 -3.32 114.58 125.61 2keo h GLU 61 Ca -0.44 0.00 -0.76 0.00 0.05 0.00 0.00 59.36 58.21 2keo h GLU 61 Cb 1.20 0.00 -0.29 0.00 -1.65 0.00 0.00 28.75 28.01 2keo h GLU 61 CO 0.72 0.28 -0.02 -0.80 0.05 0.00 0.00 179.01 179.24 2keo s ASN 62 N -6.68 6.35 0.22 3.06 -0.87 -1.26 -4.76 114.94 111.00 2keo s ASN 62 Ca -0.03 -2.82 -0.09 0.00 -1.57 0.00 0.00 52.86 48.36 2keo s ASN 62 Cb 0.14 -2.10 -0.02 0.00 -0.02 0.00 0.00 41.25 39.25 2keo s ASN 62 CO 0.68 -0.49 0.35 -0.94 -2.57 0.00 0.00 177.10 174.13 2keo s SER 63 N 1.63 -0.00 0.52 -1.22 1.04 -1.25 -5.01 113.70 109.41 2keo s SER 63 Ca 0.19 -1.07 0.30 0.00 0.48 0.00 0.00 55.95 55.85 2keo s SER 63 Cb -0.13 0.51 1.35 0.00 0.10 0.00 0.00 66.02 67.84 2keo s SER 63 CO -0.07 -1.02 1.99 0.16 0.98 0.00 0.00 173.24 175.28 2keo h ILE 64 N 2.40 0.30 -0.40 -1.02 3.07 -1.93 -3.00 117.51 116.93 2keo h ILE 64 Ca -0.30 -0.66 0.00 0.00 1.55 0.00 0.00 64.86 65.45 2keo h ILE 64 Cb 1.25 1.51 0.00 0.00 -0.27 0.00 0.00 36.82 39.30 2keo h ILE 64 CO 0.42 0.10 0.00 0.18 -1.05 0.00 0.00 178.15 177.80 2keo n LEU 65 N -3.31 3.41 0.21 0.16 4.77 -1.26 -4.24 117.00 116.75 2keo n LEU 65 Ca -0.00 -1.55 0.05 0.00 -0.03 0.00 0.00 56.01 54.47 2keo n LEU 65 Cb 0.31 -0.26 0.48 0.00 -2.33 0.00 0.00 43.42 41.62 2keo n LEU 65 CO 0.29 0.75 0.88 0.00 -1.33 0.00 0.00 177.39 177.98 2keo h ALA 66 N 4.21 1.65 0.00 -1.18 0.00 -1.79 0.58 119.26 122.73 2keo h ALA 66 Ca 0.00 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 2keo h ALA 66 Cb 0.95 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2keo h ALA 66 CO 0.00 0.26 -0.38 -0.56 0.00 0.00 0.00 179.25 178.58 2keo h GLN 67 N 0.02 0.00 -0.06 0.00 3.07 -1.80 -3.30 115.11 113.05 2keo h GLN 67 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2keo h GLN 67 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.92 2keo h GLN 67 CO 0.03 0.38 0.00 1.19 0.09 0.00 0.00 178.83 180.51 2keo n PHE 68 N -3.21 0.04 0.25 0.06 3.72 -0.65 -4.37 117.46 113.30 2keo n PHE 68 Ca 0.02 -0.02 0.13 0.00 -0.05 0.00 0.00 57.45 57.53 2keo n PHE 68 Cb 0.67 0.00 0.62 0.00 -0.94 0.00 0.00 39.48 39.83 2keo n PHE 68 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2keo h ALA 69 N 4.67 1.09 -0.69 4.37 0.00 -1.00 -2.85 119.26 124.84 2keo h ALA 69 Ca 0.00 -0.13 -0.21 0.00 0.00 0.00 0.00 54.91 54.57 2keo h ALA 69 Cb 0.97 -0.02 -0.12 0.00 0.00 0.00 0.00 17.79 18.61 2keo h ALA 69 CO 0.00 0.18 0.24 0.41 0.00 0.00 0.00 179.25 180.08 2keo n GLY 70 N -0.18 3.78 3.15 0.00 0.00 -1.26 -4.97 105.19 105.72 2keo n GLY 70 Ca -0.01 -1.02 -0.11 0.00 0.00 0.00 0.00 46.02 44.89 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 -3.01 0.78 0.16 1.61 2.56 -1.08 -5.13 118.70 114.60 2keo s GLU 71 Ca 0.54 -1.26 -0.33 0.00 0.00 0.00 0.00 54.97 53.91 2keo s GLU 71 Cb 0.43 -0.19 -0.13 0.00 2.00 0.00 0.00 34.13 36.24 2keo s GLU 71 CO 0.12 -0.02 1.61 -3.47 -0.56 0.00 0.00 175.26 172.95 2keo n ASP 72 N 0.14 3.28 0.16 -1.70 2.03 -1.26 -4.86 116.55 114.33 2keo n ASP 72 Ca -0.13 1.08 0.06 0.00 0.52 0.00 0.00 54.79 56.31 2keo n ASP 72 Cb 0.60 -1.45 0.54 0.00 -0.72 0.00 0.00 41.12 40.09 2keo n ASP 72 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2keo h PRO 73 N 6.18 0.20 0.08 -0.67 0.13 -1.97 0.13 132.00 136.07 2keo h PRO 73 Ca -0.45 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2keo h PRO 73 Cb 1.24 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2keo h PRO 73 CO 0.90 0.16 -0.04 0.28 -0.23 0.00 0.00 178.00 179.08 2keo h VAL 74 N 0.20 1.09 -0.56 1.56 2.07 -1.95 -2.85 116.25 115.80 2keo h VAL 74 Ca 0.05 -1.46 -0.02 0.00 0.82 0.00 0.00 66.70 66.09 2keo h VAL 74 Cb 0.03 1.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 2keo h VAL 74 CO -0.01 0.31 0.29 0.58 0.02 0.00 0.00 177.57 178.76 2keo h VAL 75 N -0.87 1.18 -0.40 2.57 2.07 -1.89 -1.61 116.25 117.29 2keo h VAL 75 Ca -0.01 -0.49 -0.10 0.00 0.82 0.00 0.00 66.70 66.92 2keo h VAL 75 Cb 0.60 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 2keo h VAL 75 CO 0.02 0.21 -0.16 0.00 0.02 0.00 0.00 177.57 177.66 2keo h ALA 76 N 1.53 0.97 -0.41 1.67 0.00 -1.10 -1.43 119.26 120.49 2keo h ALA 76 Ca 0.20 -0.34 -0.13 0.00 0.00 0.00 0.00 54.91 54.64 2keo h ALA 76 Cb 0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2keo h ALA 76 CO -0.03 0.61 -0.26 1.25 0.00 0.00 0.00 179.25 180.81 2keo h LEU 77 N 0.67 0.89 -0.57 0.00 5.85 -1.09 -0.27 115.31 120.79 2keo h LEU 77 Ca 0.11 -0.35 -0.07 0.00 0.84 0.00 0.00 57.88 58.41 2keo h LEU 77 Cb 0.64 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 2keo h LEU 77 CO 0.04 1.10 0.09 -0.33 -0.34 0.00 0.00 178.44 179.00 2keo h GLU 78 N 0.73 0.94 -0.21 1.25 5.08 -1.09 -0.57 114.58 120.71 2keo h GLU 78 Ca 0.09 -0.25 -0.08 0.00 -1.00 0.00 0.00 59.36 58.12 2keo h GLU 78 Cb 0.81 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 2keo h GLU 78 CO 0.07 0.90 -0.21 0.00 -1.00 0.00 0.00 179.01 178.78 2keo h ALA 79 N 1.00 1.26 -0.15 3.43 0.00 -1.20 -2.37 119.26 121.23 2keo h ALA 79 Ca 0.17 -0.29 -0.15 0.00 0.00 0.00 0.00 54.91 54.64 2keo h ALA 79 Cb 0.42 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2keo h ALA 79 CO 0.01 0.49 -0.54 0.00 0.00 0.00 0.00 179.25 179.21 2keo h ALA 80 N 1.45 0.79 -0.51 0.00 0.00 -0.56 0.30 119.26 120.73 2keo h ALA 80 Ca 0.06 -0.51 -0.11 0.00 0.00 0.00 0.00 54.91 54.35 2keo h ALA 80 Cb 0.56 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2keo h ALA 80 CO 0.04 0.69 -0.12 -0.07 0.00 0.00 0.00 179.25 179.78 2keo h LEU 81 N 0.34 0.99 -0.81 0.00 3.38 -0.93 -2.50 115.31 115.78 2keo h LEU 81 Ca 0.01 -0.36 -0.07 0.00 0.09 0.00 0.00 57.88 57.55 2keo h LEU 81 Cb 1.06 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 2keo h LEU 81 CO 0.10 1.12 -0.34 1.56 0.09 0.00 0.00 178.44 180.97 2keo h GLN 82 N 0.84 0.00 -6.43 1.13 1.08 -1.33 -3.43 115.11 106.98 2keo h GLN 82 Ca 0.13 0.00 -0.57 0.00 -1.45 0.00 0.00 58.65 56.76 2keo h GLN 82 Cb 0.69 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 28.06 2keo h GLN 82 CO 0.05 0.34 0.89 0.12 -0.95 0.00 0.00 178.83 179.28 2keo s PHE 83 N -3.49 2.99 0.54 2.96 5.36 0.09 -4.92 117.98 121.50 2keo s PHE 83 Ca 0.01 1.02 0.26 0.00 -0.96 0.00 0.00 56.93 57.26 2keo s PHE 83 Cb 0.10 -3.94 1.42 0.00 -0.34 0.00 0.00 43.02 40.26 2keo s PHE 83 CO 0.68 -1.03 1.99 1.05 -1.46 0.00 0.00 175.22 176.45 2keo h GLU 84 N 8.58 0.00 0.39 10.12 4.11 -1.83 -1.17 114.58 134.78 2keo h GLU 84 Ca -0.22 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.19 2keo h GLU 84 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 2keo h GLU 84 CO 1.06 0.00 -0.19 0.22 0.07 0.00 0.00 179.01 180.17 2keo h ASP 85 N 0.00 -0.45 0.66 3.06 3.58 -1.91 -3.38 116.42 117.98 2keo h ASP 85 Ca 0.25 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.63 2keo h ASP 85 Cb 1.02 0.12 0.00 0.00 1.72 0.00 0.00 39.33 42.18 2keo h ASP 85 CO -0.00 -0.01 -0.42 0.35 -2.88 0.00 0.00 179.24 176.28 2keo n THR 86 N -5.13 0.06 0.12 2.25 -2.24 -0.93 -4.16 114.28 104.24 2keo n THR 86 Ca -0.08 -0.05 0.01 0.00 -2.27 0.00 0.00 64.05 61.67 2keo n THR 86 Cb 0.25 0.04 0.34 0.00 -2.10 0.00 0.00 70.33 68.86 2keo n THR 86 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 2keo h ARG 87 N 0.00 0.22 0.00 -0.78 0.11 -0.79 -2.92 114.38 110.23 2keo h ARG 87 Ca 0.00 -0.07 -0.12 0.00 0.10 0.00 0.00 59.98 59.90 2keo h ARG 87 Cb 0.54 -0.02 -0.02 0.00 1.11 0.00 0.00 29.97 31.58 2keo h ARG 87 CO 0.00 0.44 -0.56 1.05 0.10 0.00 0.00 179.97 181.00 2keo h GLU 88 N 0.20 0.00 0.00 0.08 -0.00 -1.82 -2.64 114.58 110.40 2keo h GLU 88 Ca 0.03 0.00 -0.06 0.00 -0.00 0.00 0.00 59.36 59.33 2keo h GLU 88 Cb 0.51 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.26 2keo h GLU 88 CO 0.04 0.56 -0.29 1.03 -0.00 0.00 0.00 179.01 180.34 2keo h SER 89 N 0.00 0.00 0.00 3.06 0.87 -1.79 -3.22 113.55 112.47 2keo h SER 89 Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 2keo h SER 89 Cb 1.03 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.99 2keo h SER 89 CO 0.07 0.29 0.00 0.23 -0.53 0.00 0.00 176.83 176.89 2keo n MET 90 N -3.31 0.70 0.17 2.24 2.81 -0.99 -2.40 117.12 116.33 2keo n MET 90 Ca 0.01 0.00 0.04 0.00 -1.81 0.00 0.00 57.70 55.94 2keo n MET 90 Cb 0.53 -1.48 0.45 0.00 -0.71 0.00 0.00 33.22 32.01 2keo n MET 90 CO 0.00 0.00 0.00 1.12 1.51 0.00 0.00 175.97 178.60 2keo h HIS 91 N 0.00 0.14 0.03 2.03 2.07 -1.69 -1.17 115.15 116.55 2keo h HIS 91 Ca 0.00 -0.01 -0.22 0.00 -2.85 0.00 0.00 60.37 57.28 2keo h HIS 91 Cb 0.00 -0.04 -0.02 0.00 2.57 0.00 0.00 27.41 29.92 2keo h HIS 91 CO 0.00 0.28 -1.06 0.00 -3.07 0.00 0.00 177.93 174.08 2keo h ALA 92 N 1.73 0.30 0.00 6.11 0.00 -1.76 -3.28 119.26 122.36 2keo h ALA 92 Ca 0.03 -0.91 -0.11 0.00 0.00 0.00 0.00 54.91 53.92 2keo h ALA 92 Cb 0.33 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2keo h ALA 92 CO 0.02 1.19 -0.59 0.74 0.00 0.00 0.00 179.25 180.61 2keo h PHE 93 N 0.02 0.00 -3.40 0.00 -1.00 -1.67 -3.43 116.94 107.45 2keo h PHE 93 Ca -0.04 0.00 -0.56 0.00 2.81 0.00 0.00 57.97 60.18 2keo h PHE 93 Cb 1.82 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 41.31 2keo h PHE 93 CO 0.01 0.48 1.00 0.00 -1.61 0.00 0.00 178.31 178.19 2keo h VAL 95 N 6.30 0.00 0.00 0.00 3.04 -1.55 -3.47 116.25 120.56 2keo h VAL 95 Ca -0.25 -0.92 0.00 0.00 -1.01 0.00 0.00 66.70 64.52 2keo h VAL 95 Cb 1.07 1.92 0.00 0.00 -2.01 0.00 0.00 31.29 32.27 2keo h VAL 95 CO 1.14 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 178.31 2keo n GLY 96 N 1.04 -0.17 3.86 3.17 0.00 -1.25 -4.56 105.19 107.28 2keo n GLY 96 Ca 0.04 -1.18 -0.30 0.00 0.00 0.00 0.00 46.02 44.58 2keo n GLY 96 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2keo s GLN 97 N -2.00 2.61 -0.02 1.61 -1.52 0.47 -1.29 119.66 119.53 2keo s GLN 97 Ca 0.00 0.50 0.02 0.00 -1.95 0.00 0.00 55.36 53.93 2keo s GLN 97 Cb 0.00 -1.99 -0.03 0.00 -0.22 0.00 0.00 33.01 30.77 2keo s GLN 97 CO 0.00 -1.22 -0.04 -0.47 -0.25 0.00 0.00 175.29 173.31 2keo s TYR 98 N -3.31 2.97 -0.05 0.91 5.04 -0.42 -1.31 117.35 121.18 2keo s TYR 98 Ca 0.59 0.02 -0.01 0.00 -2.44 0.00 0.00 57.07 55.24 2keo s TYR 98 Cb -0.12 -1.66 0.03 0.00 0.35 0.00 0.00 41.96 40.56 2keo s TYR 98 CO 0.52 0.40 0.02 -1.17 -1.34 0.00 0.00 175.55 173.98 2keo s LEU 99 N -1.32 0.70 0.36 6.97 1.98 -0.36 -4.81 118.68 122.20 2keo s LEU 99 Ca 0.17 -0.02 -0.26 0.00 -2.89 0.00 0.00 54.13 51.13 2keo s LEU 99 Cb -0.11 -0.27 -0.09 0.00 0.66 0.00 0.00 46.19 46.38 2keo s LEU 99 CO 0.07 -0.17 1.11 -1.61 -1.89 0.00 0.00 176.35 173.86 2keo s GLU 100 N 1.64 4.29 0.46 1.98 8.01 -1.26 -4.06 118.70 129.76 2keo s GLU 100 Ca -0.01 1.73 0.12 0.00 0.01 0.00 0.00 54.97 56.82 2keo s GLU 100 Cb -0.13 -2.81 1.05 0.00 -4.31 0.00 0.00 34.13 27.94 2keo s GLU 100 CO -0.03 -0.08 2.06 -1.00 0.01 0.00 0.00 175.26 176.22 2keo h PRO 101 N 2.99 0.31 0.00 0.39 0.13 -1.99 -2.22 132.00 131.61 2keo h PRO 101 Ca -0.48 -0.02 -0.21 0.00 -0.87 0.00 0.00 66.00 64.42 2keo h PRO 101 Cb 1.22 -0.07 -0.03 0.00 0.13 0.00 0.00 31.00 32.25 2keo h PRO 101 CO 0.64 0.21 -1.11 0.38 -0.23 0.00 0.00 178.00 177.88 2keo h ASP 102 N 0.32 0.00 0.52 1.44 2.03 -1.97 -3.31 116.42 115.45 2keo h ASP 102 Ca 0.14 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.41 2keo h ASP 102 Cb 0.16 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.66 2keo h ASP 102 CO -0.03 0.91 -0.16 -0.61 -1.03 0.00 0.00 179.24 178.32 2keo h GLN 103 N 0.00 0.00 -0.35 4.15 5.75 -1.79 -0.77 115.11 122.11 2keo h GLN 103 Ca -0.08 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.38 2keo h GLN 103 Cb 1.76 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 30.30 2keo h GLN 103 CO 0.11 0.16 0.04 0.93 -2.65 0.00 0.00 178.83 177.41 2keo h GLU 104 N 0.00 0.52 -0.11 1.69 5.08 -1.61 -3.28 114.58 116.88 2keo h GLU 104 Ca -0.00 -0.10 -0.15 0.00 -1.00 0.00 0.00 59.36 58.12 2keo h GLU 104 Cb 0.46 -0.08 -0.23 0.00 0.50 0.00 0.00 28.75 29.39 2keo h GLU 104 CO 0.02 0.52 -0.81 0.41 -1.00 0.00 0.00 179.01 178.15 2keo n GLY 105 N -0.97 3.27 3.72 -3.84 0.00 -0.87 -5.07 105.19 101.44 2keo n GLY 105 Ca 0.02 -1.22 -0.40 0.00 0.00 0.00 0.00 46.02 44.41 2keo n GLY 105 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2keo s VAL 106 N -2.10 4.93 -0.04 1.61 0.11 -0.35 -5.06 120.40 119.49 2keo s VAL 106 Ca 0.37 1.64 0.02 0.00 -2.93 0.00 0.00 61.98 61.08 2keo s VAL 106 Cb 0.38 -4.13 0.01 0.00 -1.53 0.00 0.00 36.38 31.11 2keo s VAL 106 CO -0.10 0.25 -0.07 0.28 -3.33 0.00 0.00 175.10 172.14 2keo s THR 107 N 0.65 0.70 -0.20 5.04 -1.32 -1.26 -5.04 115.64 114.21 2keo s THR 107 Ca 0.41 -0.25 -0.04 0.00 -1.21 0.00 0.00 61.69 60.60 2keo s THR 107 Cb -0.19 -0.67 -0.02 0.00 -1.51 0.00 0.00 72.50 70.11 2keo s THR 107 CO 0.22 0.25 -0.03 -0.63 -2.21 0.00 0.00 174.62 172.21 2keo s ILE 108 N 0.62 3.57 0.70 5.08 1.01 -1.26 -5.12 121.20 125.79 2keo s ILE 108 Ca -0.10 -0.44 -0.12 0.00 0.00 0.00 0.00 60.65 60.00 2keo s ILE 108 Cb -0.13 -2.61 0.01 0.00 0.01 0.00 0.00 42.46 39.75 2keo s ILE 108 CO 0.01 0.43 1.07 -2.84 0.00 0.00 0.00 174.94 173.62 2keo s PRO 109 N 1.18 2.78 -1.07 2.79 0.02 -1.26 -4.95 135.00 134.49 2keo s PRO 109 Ca 0.02 1.11 -0.22 0.00 0.02 0.00 0.00 61.00 61.93 2keo s PRO 109 Cb -0.14 -1.97 -0.00 0.00 0.02 0.00 0.00 34.50 32.41 2keo s PRO 109 CO -0.00 -1.23 1.75 -0.51 -0.33 0.00 0.00 177.00 176.67 2keo s ASP 110 N -3.36 5.89 -0.21 2.53 1.01 -1.26 -4.67 116.67 116.60 2keo s ASP 110 Ca 0.61 -1.47 -0.16 0.00 0.71 0.00 0.00 52.55 52.24 2keo s ASP 110 Cb -0.16 -2.57 -0.08 0.00 1.01 0.00 0.00 42.92 41.12 2keo s ASP 110 CO 0.51 -2.10 -0.33 -0.11 0.21 0.00 0.00 175.17 173.34 2keo n LEU 111 N 11.33 1.94 0.00 1.23 7.94 -1.26 -5.38 117.00 132.80 2keo n LEU 111 Ca 0.41 0.35 0.00 0.00 -1.11 0.00 0.00 56.01 55.65 2keo n LEU 111 Cb 0.48 -0.78 0.00 0.00 0.53 0.00 0.00 43.42 43.65 2keo n LEU 111 CO 0.67 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.56