#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 1.00 -0.20 3.49 0.00 -1.26 -5.17 119.74 117.60 2keo s LYS 22 Ca 0.00 -1.18 -0.11 0.00 0.00 0.00 0.00 55.97 54.69 2keo s LYS 22 Cb 0.00 0.33 0.07 0.00 0.00 0.00 0.00 37.83 38.23 2keo s LYS 22 CO 0.00 -0.34 0.48 0.54 0.00 0.00 0.00 175.35 176.03 2keo s VAL 23 N -3.95 -0.08 -0.30 1.79 0.11 -1.26 -5.10 120.40 111.60 2keo s VAL 23 Ca 0.15 0.08 -0.29 0.00 -2.93 0.00 0.00 61.98 58.99 2keo s VAL 23 Cb 0.05 -0.71 -0.02 0.00 -1.53 0.00 0.00 36.38 34.17 2keo s VAL 23 CO -0.03 0.03 1.76 -0.89 -3.33 0.00 0.00 175.10 172.65 2keo s THR 24 N 1.57 3.51 -0.64 5.04 2.01 -1.26 -4.75 115.64 121.12 2keo s THR 24 Ca -0.09 0.53 -0.27 0.00 0.31 0.00 0.00 61.69 62.17 2keo s THR 24 Cb -0.08 -3.65 0.02 0.00 0.01 0.00 0.00 72.50 68.79 2keo s THR 24 CO -0.15 -0.39 1.40 -0.76 -0.69 0.00 0.00 174.62 174.04 2keo s LEU 25 N 6.53 3.29 -0.32 4.42 1.43 -1.26 -1.01 118.68 131.77 2keo s LEU 25 Ca 0.78 -0.02 -0.18 0.00 -1.03 0.00 0.00 54.13 53.68 2keo s LEU 25 Cb -0.23 -2.79 -0.01 0.00 0.03 0.00 0.00 46.19 43.19 2keo s LEU 25 CO 0.33 -1.84 0.50 -0.69 0.23 0.00 0.00 176.35 174.89 2keo s VAL 26 N 6.26 5.04 0.70 -1.59 1.01 -0.37 -4.82 120.40 126.64 2keo s VAL 26 Ca 0.47 0.50 -0.09 0.00 0.00 0.00 0.00 61.98 62.86 2keo s VAL 26 Cb -0.10 -3.90 0.03 0.00 0.00 0.00 0.00 36.38 32.41 2keo s VAL 26 CO 0.20 -0.10 1.05 -0.13 0.00 0.00 0.00 175.10 176.12 2keo s ARG 27 N 2.34 2.60 0.33 2.72 0.52 -1.23 -1.38 118.95 124.85 2keo s ARG 27 Ca 0.19 0.17 0.04 0.00 -0.52 0.00 0.00 55.73 55.61 2keo s ARG 27 Cb -0.15 -2.09 0.67 0.00 0.52 0.00 0.00 34.95 33.89 2keo s ARG 27 CO 0.12 -1.10 1.91 0.97 0.02 0.00 0.00 175.30 177.22 2keo h ILE 28 N -0.61 0.98 -0.30 1.52 2.10 -1.97 -1.38 117.51 117.85 2keo h ILE 28 Ca -0.45 -0.29 0.02 0.00 1.08 0.00 0.00 64.86 65.21 2keo h ILE 28 Cb 1.28 0.04 -0.02 0.00 -1.09 0.00 0.00 36.82 37.03 2keo h ILE 28 CO 0.63 0.16 0.15 0.00 -1.08 0.00 0.00 178.15 178.01 2keo h ALA 29 N 1.56 0.36 -0.41 0.18 0.00 -1.95 -2.25 119.26 116.75 2keo h ALA 29 Ca 0.39 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.21 2keo h ALA 29 Cb 0.39 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2keo h ALA 29 CO -0.16 -0.23 -0.17 -0.44 0.00 0.00 0.00 179.25 178.25 2keo h ASP 30 N 0.31 0.79 -0.51 0.00 3.32 -1.81 -2.45 116.42 116.06 2keo h ASP 30 Ca 0.12 -0.26 0.02 0.00 0.02 0.00 0.00 57.03 56.93 2keo h ASP 30 Cb 0.04 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 2keo h ASP 30 CO -0.09 0.95 0.32 0.25 -1.72 0.00 0.00 179.24 178.96 2keo h LEU 31 N 0.70 0.53 -0.01 1.55 5.85 -0.99 -2.50 115.31 120.44 2keo h LEU 31 Ca 0.11 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 2keo h LEU 31 Cb 0.67 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.58 2keo h LEU 31 CO 0.05 0.37 -0.02 -0.33 -0.34 0.00 0.00 178.44 178.17 2keo h GLU 32 N 0.64 0.03 -0.12 1.25 5.08 -1.30 -3.16 114.58 116.99 2keo h GLU 32 Ca 0.20 -0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.41 2keo h GLU 32 Cb -0.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 2keo h GLU 32 CO -0.08 0.63 -0.51 -2.95 -1.00 0.00 0.00 179.01 175.10 2keo h ASN 33 N -0.58 0.37 0.60 1.42 7.08 -1.43 -1.66 115.58 121.38 2keo h ASN 33 Ca -0.00 -0.19 -0.15 0.00 -3.08 0.00 0.00 56.30 52.88 2keo h ASN 33 Cb 0.63 -0.10 -0.02 0.00 -2.08 0.00 0.00 38.32 36.75 2keo h ASN 33 CO 0.00 0.82 -0.69 -0.74 -2.08 0.00 0.00 177.43 174.74 2keo h HIS 34 N 0.26 0.10 -0.49 4.14 2.76 -1.59 -1.24 115.15 119.10 2keo h HIS 34 Ca 0.01 -0.04 -0.11 0.00 -2.20 0.00 0.00 60.37 58.03 2keo h HIS 34 Cb 1.00 -0.02 -0.02 0.00 1.55 0.00 0.00 27.41 29.93 2keo h HIS 34 CO 0.03 0.74 -0.12 -0.97 -1.30 0.00 0.00 177.93 176.30 2keo h ASN 35 N 0.05 0.91 -0.12 3.26 -0.00 -1.26 -0.84 115.58 117.58 2keo h ASN 35 Ca -0.01 -0.29 -0.07 0.00 -0.00 0.00 0.00 56.30 55.93 2keo h ASN 35 Cb 1.22 -0.25 -0.02 0.00 -0.00 0.00 0.00 38.32 39.28 2keo h ASN 35 CO 0.10 1.04 -0.12 -1.13 -0.00 0.00 0.00 177.43 177.31 2keo h ASN 36 N 0.82 0.44 -0.13 1.15 -1.24 -1.10 -2.54 115.58 112.97 2keo h ASN 36 Ca 0.13 -0.11 -0.07 0.00 0.71 0.00 0.00 56.30 56.96 2keo h ASN 36 Cb 0.65 -0.12 -0.02 0.00 0.73 0.00 0.00 38.32 39.57 2keo h ASN 36 CO 0.05 0.60 -0.10 -0.78 -1.29 0.00 0.00 177.43 175.91 2keo h ASP 37 N 0.43 0.45 0.00 1.15 3.58 -0.91 -3.47 116.42 117.65 2keo h ASP 37 Ca 0.08 -0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.42 2keo h ASP 37 Cb 0.48 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.41 2keo h ASP 37 CO 0.03 0.60 0.00 0.61 -2.88 0.00 0.00 179.24 177.59 2keo n GLY 38 N -0.71 1.34 3.54 -0.78 0.00 -0.77 -5.09 105.19 102.72 2keo n GLY 38 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.06 1.04 -0.33 -0.02 0.00 -0.39 -4.91 107.32 102.64 2keo s GLY 39 Ca 0.00 -1.64 -0.29 0.00 0.00 0.00 0.00 44.72 42.79 2keo s GLY 39 CO 0.00 2.58 1.33 -0.12 0.00 0.00 0.00 173.10 176.89 2keo s PHE 40 N 5.32 2.60 0.36 1.90 5.36 -1.26 -2.67 117.98 129.59 2keo s PHE 40 Ca 0.36 0.80 0.05 0.00 -0.96 0.00 0.00 56.93 57.18 2keo s PHE 40 Cb -0.07 -4.04 -0.01 0.00 -0.34 0.00 0.00 43.02 38.56 2keo s PHE 40 CO 0.09 -1.80 0.52 -1.58 -1.46 0.00 0.00 175.22 170.98 2keo s TRP 41 N 4.69 3.18 -0.11 10.12 0.51 -1.26 -1.23 118.94 134.84 2keo s TRP 41 Ca 0.58 -0.07 -0.07 0.00 -2.12 0.00 0.00 56.10 54.42 2keo s TRP 41 Cb -0.16 -2.04 0.04 0.00 -0.81 0.00 0.00 33.47 30.50 2keo s TRP 41 CO 0.26 -0.07 0.26 -0.08 -0.51 0.00 0.00 176.95 176.82 2keo s THR 42 N -2.26 -0.02 -0.47 2.01 -1.32 -0.11 -4.86 115.64 108.60 2keo s THR 42 Ca 0.45 0.09 -0.18 0.00 -1.21 0.00 0.00 61.69 60.84 2keo s THR 42 Cb -0.10 -0.39 0.05 0.00 -1.51 0.00 0.00 72.50 70.56 2keo s THR 42 CO 0.33 0.04 0.53 -0.69 -2.21 0.00 0.00 174.62 172.61 2keo s VAL 43 N 0.83 5.00 -0.24 5.08 1.01 -1.26 -1.67 120.40 129.16 2keo s VAL 43 Ca -0.06 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.40 2keo s VAL 43 Cb -0.07 -4.18 0.04 0.00 0.00 0.00 0.00 36.38 32.17 2keo s VAL 43 CO -0.05 -0.64 -0.11 -0.63 0.00 0.00 0.00 175.10 173.67 2keo s ILE 44 N 2.30 2.40 -1.50 2.22 1.01 0.12 -4.74 121.20 123.01 2keo s ILE 44 Ca 0.12 -1.28 -0.02 0.00 0.00 0.00 0.00 60.65 59.47 2keo s ILE 44 Cb -0.19 -2.26 0.00 0.00 0.01 0.00 0.00 42.46 40.02 2keo s ILE 44 CO 0.12 0.16 0.30 -0.67 0.00 0.00 0.00 174.94 174.86 2keo n ASP 45 N 4.56 -5.60 0.00 3.58 2.03 -1.26 -1.89 116.55 117.97 2keo n ASP 45 Ca -0.16 -0.15 0.00 0.00 0.52 0.00 0.00 54.79 55.00 2keo n ASP 45 Cb 0.45 -4.52 0.00 0.00 -0.72 0.00 0.00 41.12 36.33 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 -1.26 0.73 3.51 0.27 0.00 -1.26 -5.05 105.19 102.13 2keo n GLY 46 Ca -0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.25 1.85 -0.20 1.61 -0.14 -0.79 -1.07 119.74 120.75 2keo s LYS 47 Ca 0.00 -1.17 -0.02 0.00 -1.36 0.00 0.00 55.97 53.42 2keo s LYS 47 Cb 0.00 -2.14 -0.00 0.00 -1.68 0.00 0.00 37.83 34.00 2keo s LYS 47 CO 0.00 0.48 -0.08 0.08 -0.76 0.00 0.00 175.35 175.07 2keo s VAL 48 N -1.21 3.09 0.17 3.17 1.01 -0.22 -0.70 120.40 125.71 2keo s VAL 48 Ca 0.19 -0.60 0.09 0.00 0.00 0.00 0.00 61.98 61.66 2keo s VAL 48 Cb -0.10 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 2keo s VAL 48 CO 0.11 0.46 -0.19 -0.31 0.00 0.00 0.00 175.10 175.17 2keo s TYR 49 N 1.29 1.88 -0.27 5.22 1.51 -0.67 -0.67 117.35 125.63 2keo s TYR 49 Ca 0.03 -0.46 -0.14 0.00 -1.01 0.00 0.00 57.07 55.50 2keo s TYR 49 Cb -0.14 -0.93 -0.04 0.00 -0.11 0.00 0.00 41.96 40.74 2keo s TYR 49 CO -0.04 0.36 0.31 0.34 -1.11 0.00 0.00 175.55 175.41 2keo s ASP 50 N -2.71 6.18 0.21 2.29 -1.08 -1.11 -0.93 116.67 119.52 2keo s ASP 50 Ca 0.17 0.20 0.04 0.00 -0.52 0.00 0.00 52.55 52.43 2keo s ASP 50 Cb -0.06 -2.18 0.14 0.00 -1.46 0.00 0.00 42.92 39.36 2keo s ASP 50 CO 0.07 -0.13 1.48 0.40 0.52 0.00 0.00 175.17 177.51 2keo h ILE 51 N 5.36 1.43 -0.31 4.11 1.08 -1.50 -1.60 117.51 126.08 2keo h ILE 51 Ca -0.33 -2.25 -0.02 0.00 -0.39 0.00 0.00 64.86 61.87 2keo h ILE 51 Cb 1.17 2.20 -0.01 0.00 -3.07 0.00 0.00 36.82 37.10 2keo h ILE 51 CO 0.62 0.66 0.11 0.50 -0.69 0.00 0.00 178.15 179.34 2keo h LYS 52 N 0.15 0.48 -0.44 2.37 3.64 -1.94 -0.47 116.57 120.35 2keo h LYS 52 Ca -0.02 -0.10 -0.08 0.00 -1.27 0.00 0.00 60.65 59.19 2keo h LYS 52 Cb 1.27 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 33.00 2keo h LYS 52 CO 0.11 0.51 -0.04 -0.44 -2.27 0.00 0.00 179.45 177.32 2keo h ASP 53 N 0.35 0.72 0.11 4.20 5.19 -1.89 -2.74 116.42 122.37 2keo h ASP 53 Ca 0.10 -0.19 0.00 0.00 -0.62 0.00 0.00 57.03 56.33 2keo h ASP 53 Cb 0.22 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.53 2keo h ASP 53 CO -0.01 0.82 -0.11 0.15 -3.12 0.00 0.00 179.24 176.98 2keo h PHE 54 N 0.70 -0.27 0.00 4.55 3.57 -0.97 -3.09 116.94 121.42 2keo h PHE 54 Ca 0.13 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 2keo h PHE 54 Cb 0.49 0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.33 2keo h PHE 54 CO 0.02 -0.17 -0.15 1.96 -2.23 0.00 0.00 178.31 177.75 2keo h GLN 55 N -0.24 0.00 -0.81 1.11 4.20 -0.96 -2.61 115.11 115.80 2keo h GLN 55 Ca 0.00 0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.81 2keo h GLN 55 Cb 0.23 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.95 2keo h GLN 55 CO -0.03 0.15 0.53 1.15 -0.67 0.00 0.00 178.83 179.96 2keo h THR 56 N 0.00 0.95 0.00 -0.54 2.02 -1.40 -1.24 112.91 112.70 2keo h THR 56 Ca -0.00 -0.26 -0.19 0.00 0.77 0.00 0.00 66.41 66.74 2keo h THR 56 Cb 0.28 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.81 2keo h THR 56 CO 0.02 0.14 -0.86 1.56 0.37 0.00 0.00 175.52 176.74 2keo h GLN 57 N 0.75 0.07 -0.01 6.66 1.08 -1.58 -3.18 115.11 118.89 2keo h GLN 57 Ca 0.37 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.49 2keo h GLN 57 Cb 0.45 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.90 2keo h GLN 57 CO -0.15 0.89 0.00 -1.13 -0.95 0.00 0.00 178.83 177.49 2keo n SER 58 N -3.58 0.22 -0.15 1.46 3.41 -0.51 -3.68 113.62 110.80 2keo n SER 58 Ca -0.02 -1.20 0.02 0.00 -0.26 0.00 0.00 58.87 57.42 2keo n SER 58 Cb 0.81 -0.00 0.10 0.00 -0.26 0.00 0.00 64.21 64.85 2keo n SER 58 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2keo n LEU 59 N -0.77 0.43 -4.38 1.04 4.77 -0.96 -4.87 117.00 112.26 2keo n LEU 59 Ca 0.20 -0.21 -0.19 0.00 -0.03 0.00 0.00 56.01 55.78 2keo n LEU 59 Cb 0.13 -0.05 -0.10 0.00 -2.33 0.00 0.00 43.42 41.07 2keo n LEU 59 CO 0.16 0.10 -0.34 0.28 -1.33 0.00 0.00 177.39 176.26 2keo s THR 60 N -1.90 1.31 -0.03 -5.08 -1.32 -1.24 -5.10 115.64 102.29 2keo s THR 60 Ca 0.08 -2.07 -0.16 0.00 -1.21 0.00 0.00 61.69 58.34 2keo s THR 60 Cb 0.04 -2.42 -0.09 0.00 -1.51 0.00 0.00 72.50 68.53 2keo s THR 60 CO 0.06 -0.30 0.69 -0.08 -2.21 0.00 0.00 174.62 172.78 2keo h GLU 61 N 2.36 -0.55 -5.77 7.08 4.57 -1.91 -3.39 114.58 116.97 2keo h GLU 61 Ca -0.39 0.04 -0.63 0.00 -1.18 0.00 0.00 59.36 57.20 2keo h GLU 61 Cb 1.23 0.12 -0.12 0.00 -0.16 0.00 0.00 28.75 29.82 2keo h GLU 61 CO 0.66 -0.36 1.27 -0.80 -1.18 0.00 0.00 179.01 178.60 2keo s ASN 62 N -4.65 6.53 0.01 1.04 0.01 -1.26 -4.75 114.94 111.86 2keo s ASN 62 Ca -0.08 -1.60 -0.05 0.00 -0.71 0.00 0.00 52.86 50.41 2keo s ASN 62 Cb 0.01 -2.51 -0.00 0.00 0.41 0.00 0.00 41.25 39.15 2keo s ASN 62 CO 0.25 -1.38 0.09 -0.55 -1.51 0.00 0.00 177.10 174.00 2keo s SER 63 N 4.51 0.08 0.58 -1.22 0.15 -1.26 -5.03 113.70 111.51 2keo s SER 63 Ca 0.41 -0.28 0.36 0.00 0.70 0.00 0.00 55.95 57.14 2keo s SER 63 Cb -0.02 0.18 1.62 0.00 -1.71 0.00 0.00 66.02 66.09 2keo s SER 63 CO -0.09 -0.35 2.08 0.16 1.20 0.00 0.00 173.24 176.24 2keo h ILE 64 N 4.37 0.00 -0.02 6.45 3.07 -1.92 -2.83 117.51 126.63 2keo h ILE 64 Ca -0.31 -0.39 0.00 0.00 1.55 0.00 0.00 64.86 65.71 2keo h ILE 64 Cb 1.20 1.38 0.00 0.00 -0.27 0.00 0.00 36.82 39.13 2keo h ILE 64 CO 0.41 0.00 -0.14 0.18 -1.05 0.00 0.00 178.15 177.55 2keo n LEU 65 N -3.08 2.08 0.19 0.16 4.77 -1.26 -4.25 117.00 115.61 2keo n LEU 65 Ca -0.00 -0.70 0.03 0.00 -0.03 0.00 0.00 56.01 55.31 2keo n LEU 65 Cb 0.25 -0.02 0.38 0.00 -2.33 0.00 0.00 43.42 41.70 2keo n LEU 65 CO 0.25 0.36 0.75 0.00 -1.33 0.00 0.00 177.39 177.42 2keo h ALA 66 N 4.28 1.39 0.00 -1.18 0.00 -1.79 -1.97 119.26 119.99 2keo h ALA 66 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2keo h ALA 66 Cb 0.74 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2keo h ALA 66 CO 0.00 0.44 0.00 -0.56 0.00 0.00 0.00 179.25 179.13 2keo h GLN 67 N 0.00 0.00 -0.73 0.00 3.07 -1.78 -2.93 115.11 112.73 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 0.63 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.19 2keo h GLN 67 CO 0.05 0.00 0.00 1.19 0.09 0.00 0.00 178.83 180.16 2keo n PHE 68 N -3.09 1.07 0.26 0.06 3.72 -0.75 -4.55 117.46 114.18 2keo n PHE 68 Ca 0.01 -0.51 0.11 0.00 -0.05 0.00 0.00 57.45 57.01 2keo n PHE 68 Cb 0.34 -0.04 0.69 0.00 -0.94 0.00 0.00 39.48 39.53 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 4.34 1.40 -0.38 4.37 0.00 -1.39 -1.91 119.26 125.69 2keo h ALA 69 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2keo h ALA 69 Cb 1.07 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2keo h ALA 69 CO 0.04 0.16 0.00 0.41 0.00 0.00 0.00 179.25 179.86 2keo n GLY 70 N -0.81 2.30 3.14 0.00 0.00 -1.26 -4.90 105.19 103.65 2keo n GLY 70 Ca -0.02 -0.58 -0.16 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.03 0.73 0.12 1.61 2.56 -0.72 -5.13 118.70 115.84 2keo s GLU 71 Ca 0.34 -0.93 -0.34 0.00 0.00 0.00 0.00 54.97 54.04 2keo s GLU 71 Cb 0.25 -0.59 -0.13 0.00 2.00 0.00 0.00 34.13 35.65 2keo s GLU 71 CO 0.11 0.12 1.63 -3.47 -0.56 0.00 0.00 175.26 173.09 2keo n ASP 72 N 1.19 3.16 0.02 -1.70 2.03 -1.26 -4.81 116.55 115.18 2keo n ASP 72 Ca -0.21 1.07 0.20 0.00 0.52 0.00 0.00 54.79 56.37 2keo n ASP 72 Cb 0.55 -1.42 0.70 0.00 -0.72 0.00 0.00 41.12 40.23 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 6.45 0.00 -0.00 -0.67 0.13 -1.97 0.17 132.00 136.10 2keo h PRO 73 Ca -0.45 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.66 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 0.90 0.00 -0.06 0.28 -0.23 0.00 0.00 178.00 178.89 2keo h VAL 74 N 0.00 1.57 -0.00 1.56 2.07 -1.97 -2.01 116.25 117.47 2keo h VAL 74 Ca 0.23 -1.75 -0.09 0.00 0.82 0.00 0.00 66.70 65.91 2keo h VAL 74 Cb 0.97 2.73 -0.01 0.00 -1.52 0.00 0.00 31.29 33.46 2keo h VAL 74 CO -0.00 0.46 -0.44 0.58 0.02 0.00 0.00 177.57 178.19 2keo h VAL 75 N -0.66 1.32 -0.43 2.57 2.07 -1.76 -1.84 116.25 117.52 2keo h VAL 75 Ca -0.01 -1.51 -0.13 0.00 0.82 0.00 0.00 66.70 65.87 2keo h VAL 75 Cb 0.79 1.81 -0.01 0.00 -1.52 0.00 0.00 31.29 32.36 2keo h VAL 75 CO 0.01 0.43 -0.26 0.00 0.02 0.00 0.00 177.57 177.78 2keo h ALA 76 N 1.56 0.61 -0.72 1.67 0.00 -0.76 -2.70 119.26 118.91 2keo h ALA 76 Ca -0.00 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.46 2keo h ALA 76 Cb 0.78 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 2keo h ALA 76 CO 0.06 0.62 0.27 1.25 0.00 0.00 0.00 179.25 181.44 2keo h LEU 77 N 0.76 1.01 -0.30 0.00 5.85 -0.93 -1.03 115.31 120.67 2keo h LEU 77 Ca 0.09 -0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.65 2keo h LEU 77 Cb 0.84 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 2keo h LEU 77 CO 0.07 0.92 0.14 -0.33 -0.34 0.00 0.00 178.44 178.91 2keo h GLU 78 N 1.04 0.29 -0.37 1.25 5.08 -1.20 0.61 114.58 121.28 2keo h GLU 78 Ca 0.24 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.51 2keo h GLU 78 Cb 0.24 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 2keo h GLU 78 CO -0.02 0.19 -0.05 0.00 -1.00 0.00 0.00 179.01 178.14 2keo h ALA 79 N 1.16 1.23 0.00 3.43 0.00 -1.41 -2.87 119.26 120.80 2keo h ALA 79 Ca 0.13 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2keo h ALA 79 Cb 0.05 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2keo h ALA 79 CO -0.10 0.51 0.00 0.00 0.00 0.00 0.00 179.25 179.66 2keo h ALA 80 N 1.38 1.00 0.05 0.00 0.00 -0.32 -0.69 119.26 120.68 2keo h ALA 80 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.77 2keo h ALA 80 Cb 0.43 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.23 2keo h ALA 80 CO 0.02 0.00 -1.06 -0.07 0.00 0.00 0.00 179.25 178.14 2keo h LEU 81 N 0.00 0.59 -0.54 0.00 3.38 -0.69 -3.14 115.31 114.91 2keo h LEU 81 Ca 0.00 -0.52 -0.02 0.00 0.09 0.00 0.00 57.88 57.43 2keo h LEU 81 Cb 0.70 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 2keo h LEU 81 CO 0.00 1.34 -0.10 -0.61 0.09 0.00 0.00 178.44 179.16 2keo h GLN 82 N 0.22 0.00 -5.47 1.13 4.15 -1.41 -3.44 115.11 110.29 2keo h GLN 82 Ca -0.11 0.00 -0.63 0.00 0.77 0.00 0.00 58.65 58.68 2keo h GLN 82 Cb 1.72 0.00 -0.13 0.00 0.21 0.00 0.00 27.48 29.28 2keo h GLN 82 CO 0.19 0.10 0.13 0.12 -1.93 0.00 0.00 178.83 177.43 2keo s PHE 83 N -3.36 3.18 0.28 3.99 5.36 -0.29 -4.96 117.98 122.18 2keo s PHE 83 Ca 0.04 0.44 0.29 0.00 -0.96 0.00 0.00 56.93 56.74 2keo s PHE 83 Cb 0.07 -3.06 1.33 0.00 -0.34 0.00 0.00 43.02 41.02 2keo s PHE 83 CO 0.64 -0.55 1.99 1.05 -1.46 0.00 0.00 175.22 176.89 2keo h GLU 84 N 8.34 0.00 0.00 10.12 4.11 -1.85 -2.23 114.58 133.08 2keo h GLU 84 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.16 2keo h GLU 84 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2keo h GLU 84 CO 0.82 0.13 -0.06 -0.25 0.07 0.00 0.00 179.01 179.71 2keo n ASP 85 N -3.41 0.76 -0.05 3.06 9.92 -1.26 -3.97 116.55 121.60 2keo n ASP 85 Ca -0.01 0.52 -0.05 0.00 -0.53 0.00 0.00 54.79 54.73 2keo n ASP 85 Cb 0.30 -0.68 -0.08 0.00 -0.64 0.00 0.00 41.12 40.03 2keo n ASP 85 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 2keo n THR 86 N -2.20 0.65 -0.06 -3.53 -2.24 -1.03 -4.70 114.28 101.16 2keo n THR 86 Ca 0.05 -0.41 0.25 0.00 -2.27 0.00 0.00 64.05 61.68 2keo n THR 86 Cb 0.43 -0.72 0.71 0.00 -2.10 0.00 0.00 70.33 68.64 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 0.00 -0.35 -0.78 0.11 -1.37 -1.87 114.38 110.12 2keo h ARG 87 Ca -0.26 0.00 0.06 0.00 0.10 0.00 0.00 59.98 59.88 2keo h ARG 87 Cb 1.57 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 32.60 2keo h ARG 87 CO 0.01 0.00 0.04 1.05 0.10 0.00 0.00 179.97 181.18 2keo h GLU 88 N 0.00 0.15 0.00 0.08 4.11 -1.84 -2.42 114.58 114.65 2keo h GLU 88 Ca 0.33 -0.01 -0.00 0.00 0.07 0.00 0.00 59.36 59.75 2keo h GLU 88 Cb 1.57 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.78 2keo h GLU 88 CO -0.00 0.10 -0.02 0.77 0.07 0.00 0.00 179.01 179.92 2keo h SER 89 N 0.15 0.00 0.98 3.06 0.02 -1.69 -2.88 113.55 113.20 2keo h SER 89 Ca 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 2keo h SER 89 Cb 0.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.75 2keo h SER 89 CO -0.25 0.02 0.00 0.23 -1.14 0.00 0.00 176.83 175.69 2keo n MET 90 N -3.11 0.16 0.21 3.45 2.81 -0.94 -1.85 117.12 117.85 2keo n MET 90 Ca 0.03 0.26 0.09 0.00 -1.81 0.00 0.00 57.70 56.27 2keo n MET 90 Cb 0.47 -1.74 0.32 0.00 -0.71 0.00 0.00 33.22 31.56 2keo n MET 90 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2keo h HIS 91 N 0.00 0.00 0.00 2.03 3.86 -1.27 0.57 115.15 120.35 2keo h HIS 91 Ca 0.00 0.00 -0.26 0.00 -1.16 0.00 0.00 60.37 58.95 2keo h HIS 91 Cb 0.49 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.92 2keo h HIS 91 CO 0.00 0.24 -1.42 0.00 0.86 0.00 0.00 177.93 177.61 2keo h ALA 92 N 1.76 0.59 0.00 2.45 0.00 -1.51 -3.36 119.26 119.19 2keo h ALA 92 Ca -0.00 -1.23 -0.09 0.00 0.00 0.00 0.00 54.91 53.58 2keo h ALA 92 Cb 0.93 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2keo h ALA 92 CO 0.03 1.44 -0.71 0.74 0.00 0.00 0.00 179.25 180.75 2keo h PHE 93 N 0.00 0.00 -3.14 0.00 0.04 -1.32 -3.45 116.94 109.07 2keo h PHE 93 Ca -0.17 0.00 -0.57 0.00 2.80 0.00 0.00 57.97 60.03 2keo h PHE 93 Cb 1.91 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 40.02 2keo h PHE 93 CO 0.00 0.39 1.12 0.00 -0.60 0.00 0.00 178.31 179.22 2keo h VAL 95 N 6.55 1.32 0.00 0.00 2.07 -1.21 -3.48 116.25 121.50 2keo h VAL 95 Ca -0.29 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 66.01 2keo h VAL 95 Cb 1.12 1.73 0.00 0.00 -1.52 0.00 0.00 31.29 32.62 2keo h VAL 95 CO 1.08 0.37 0.00 0.61 0.02 0.00 0.00 177.57 179.64 2keo n GLY 96 N 0.07 -0.74 3.41 2.17 0.00 -1.21 -4.15 105.19 104.75 2keo n GLY 96 Ca -0.05 -0.39 -0.32 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.50 2.63 0.18 1.61 0.74 -0.18 -1.06 119.66 123.08 2keo s GLN 97 Ca 0.00 -0.74 -0.30 0.00 0.05 0.00 0.00 55.36 54.36 2keo s GLN 97 Cb 0.00 -2.36 -0.08 0.00 1.10 0.00 0.00 33.01 31.67 2keo s GLN 97 CO 0.00 0.51 1.26 -0.47 -0.55 0.00 0.00 175.29 176.04 2keo s TYR 98 N -0.45 3.33 -0.08 1.67 5.04 -0.24 -1.24 117.35 125.39 2keo s TYR 98 Ca 0.05 1.29 -0.03 0.00 -2.44 0.00 0.00 57.07 55.94 2keo s TYR 98 Cb -0.12 -3.53 0.05 0.00 0.35 0.00 0.00 41.96 38.71 2keo s TYR 98 CO 0.02 -1.60 0.17 -1.17 -1.34 0.00 0.00 175.55 171.62 2keo s LEU 99 N 0.01 0.12 0.22 6.97 1.98 -0.48 -4.85 118.68 122.65 2keo s LEU 99 Ca 0.56 0.35 -0.30 0.00 -2.89 0.00 0.00 54.13 51.85 2keo s LEU 99 Cb -0.34 0.34 -0.10 0.00 0.66 0.00 0.00 46.19 46.75 2keo s LEU 99 CO 0.36 -0.22 1.43 -1.61 -1.89 0.00 0.00 176.35 174.43 2keo s GLU 100 N 1.98 4.28 0.59 1.98 2.02 -1.26 -3.52 118.70 124.77 2keo s GLU 100 Ca -0.01 2.26 0.29 0.00 0.02 0.00 0.00 54.97 57.53 2keo s GLU 100 Cb -0.12 -3.14 1.70 0.00 0.10 0.00 0.00 34.13 32.67 2keo s GLU 100 CO -0.06 -0.42 2.14 -1.00 0.02 0.00 0.00 175.26 175.93 2keo h PRO 101 N 5.47 0.00 0.16 0.39 0.13 -1.96 -0.39 132.00 135.81 2keo h PRO 101 Ca -0.45 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.45 2keo h PRO 101 Cb 1.21 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.37 2keo h PRO 101 CO 0.80 0.00 -1.00 0.22 -0.23 0.00 0.00 178.00 177.79 2keo h ASP 102 N 0.00 0.60 0.35 1.44 3.58 -1.98 -3.35 116.42 117.05 2keo h ASP 102 Ca 0.07 -0.93 0.00 0.00 0.42 0.00 0.00 57.03 56.59 2keo h ASP 102 Cb 0.38 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.24 2keo h ASP 102 CO -0.00 1.48 0.00 1.67 -2.88 0.00 0.00 179.24 179.51 2keo n GLN 103 N -4.01 0.04 -0.07 0.28 7.27 -0.21 -2.37 117.38 118.32 2keo n GLN 103 Ca -0.14 0.27 -0.08 0.00 0.07 0.00 0.00 57.00 57.12 2keo n GLN 103 Cb 0.90 -1.50 -0.01 0.00 2.41 0.00 0.00 30.24 32.04 2keo n GLN 103 CO 0.00 0.00 0.00 1.49 0.07 0.00 0.00 177.06 178.62 2keo h GLU 104 N 0.00 0.17 -0.00 3.69 4.22 -1.55 -3.21 114.58 117.90 2keo h GLU 104 Ca 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.43 2keo h GLU 104 Cb 0.17 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2keo h GLU 104 CO 0.00 0.11 -0.68 0.41 -2.18 0.00 0.00 179.01 176.68 2keo n GLY 105 N -1.19 -0.74 2.99 1.92 0.00 -1.00 -4.92 105.19 102.26 2keo n GLY 105 Ca -0.01 -0.54 -0.20 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.81 0.77 0.18 1.61 0.11 -1.21 -5.16 120.40 113.90 2keo s VAL 106 Ca 0.13 -0.34 0.11 0.00 -2.93 0.00 0.00 61.98 58.94 2keo s VAL 106 Cb 0.17 -0.69 -0.04 0.00 -1.53 0.00 0.00 36.38 34.29 2keo s VAL 106 CO 0.72 0.24 -0.23 0.28 -3.33 0.00 0.00 175.10 172.78 2keo s THR 107 N 0.24 2.21 -0.30 5.04 -1.32 -1.26 -4.48 115.64 115.77 2keo s THR 107 Ca -0.04 -1.99 0.04 0.00 -1.21 0.00 0.00 61.69 58.49 2keo s THR 107 Cb -0.09 -2.04 0.08 0.00 -1.51 0.00 0.00 72.50 68.94 2keo s THR 107 CO 0.01 -0.16 -0.02 -0.63 -2.21 0.00 0.00 174.62 171.61 2keo s ILE 108 N -1.73 2.23 -1.42 5.08 -1.09 -1.26 -5.05 121.20 117.97 2keo s ILE 108 Ca 0.19 -2.04 -0.14 0.00 -2.23 0.00 0.00 60.65 56.43 2keo s ILE 108 Cb -0.08 -2.51 0.06 0.00 -1.58 0.00 0.00 42.46 38.35 2keo s ILE 108 CO 0.09 -0.35 2.11 -0.81 -1.23 0.00 0.00 174.94 174.75 2keo n PRO 109 N 4.33 2.97 -2.53 2.79 -0.04 -1.26 -4.98 135.00 136.29 2keo n PRO 109 Ca -0.04 -2.80 -0.35 0.00 -0.04 0.00 0.00 63.50 60.26 2keo n PRO 109 Cb 0.42 -3.30 -0.04 0.00 -0.04 0.00 0.00 33.50 30.55 2keo n PRO 109 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 2keo s ASP 110 N 3.21 6.53 -0.12 3.54 -4.77 -1.26 -4.99 116.67 118.80 2keo s ASP 110 Ca 0.48 2.01 -0.06 0.00 -3.30 0.00 0.00 52.55 51.67 2keo s ASP 110 Cb 0.12 -2.57 -0.26 0.00 -1.09 0.00 0.00 42.92 39.11 2keo s ASP 110 CO -0.05 -0.65 0.36 0.18 0.70 0.00 0.00 175.17 175.70 2keo n LEU 111 N -0.51 2.64 0.00 2.11 7.99 -1.26 -5.34 117.00 122.63 2keo n LEU 111 Ca 0.07 0.20 0.00 0.00 -0.01 0.00 0.00 56.01 56.27 2keo n LEU 111 Cb 0.51 -1.11 0.00 0.00 -0.11 0.00 0.00 43.42 42.71 2keo n LEU 111 CO 0.43 0.86 0.00 0.61 -1.51 0.00 0.00 177.39 177.77