#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 1.60 -0.09 3.44 0.00 -1.26 -5.18 119.74 118.25 2keo s LYS 22 Ca 0.00 -1.20 -0.07 0.00 0.00 0.00 0.00 55.97 54.70 2keo s LYS 22 Cb 0.00 0.50 0.03 0.00 0.00 0.00 0.00 37.83 38.36 2keo s LYS 22 CO 0.00 -0.68 0.24 0.54 0.00 0.00 0.00 175.35 175.44 2keo s VAL 23 N -3.99 -0.02 -0.33 1.79 0.11 -1.26 -5.13 120.40 111.57 2keo s VAL 23 Ca 0.20 0.07 -0.04 0.00 -2.93 0.00 0.00 61.98 59.27 2keo s VAL 23 Cb -0.02 -0.35 0.05 0.00 -1.53 0.00 0.00 36.38 34.53 2keo s VAL 23 CO 0.09 0.03 0.06 -0.89 -3.33 0.00 0.00 175.10 171.06 2keo s THR 24 N 0.62 3.41 -0.51 5.04 2.01 -1.26 -5.07 115.64 119.88 2keo s THR 24 Ca -0.04 -1.29 -0.16 0.00 0.31 0.00 0.00 61.69 60.51 2keo s THR 24 Cb -0.05 -2.96 0.09 0.00 0.01 0.00 0.00 72.50 69.58 2keo s THR 24 CO -0.04 -0.17 0.47 -0.76 -0.69 0.00 0.00 174.62 173.43 2keo s LEU 25 N 1.32 5.73 -0.31 4.42 1.43 -1.26 -1.11 118.68 128.91 2keo s LEU 25 Ca -0.03 -1.44 -0.18 0.00 -1.03 0.00 0.00 54.13 51.45 2keo s LEU 25 Cb -0.20 -2.22 -0.02 0.00 0.03 0.00 0.00 46.19 43.78 2keo s LEU 25 CO 0.01 -0.77 0.51 -0.69 0.23 0.00 0.00 176.35 175.64 2keo s VAL 26 N 1.79 5.04 0.50 -1.59 1.01 -0.42 -4.84 120.40 121.89 2keo s VAL 26 Ca 0.05 0.58 -0.02 0.00 0.00 0.00 0.00 61.98 62.59 2keo s VAL 26 Cb -0.26 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.23 2keo s VAL 26 CO 0.06 -0.07 0.76 -0.13 0.00 0.00 0.00 175.10 175.72 2keo s ARG 27 N 2.35 3.01 0.43 2.72 0.52 -1.26 -1.01 118.95 125.71 2keo s ARG 27 Ca 0.20 -0.31 0.10 0.00 -0.52 0.00 0.00 55.73 55.20 2keo s ARG 27 Cb -0.15 -2.45 0.95 0.00 0.52 0.00 0.00 34.95 33.81 2keo s ARG 27 CO 0.11 -0.43 2.04 0.97 0.02 0.00 0.00 175.30 178.01 2keo h ILE 28 N 0.18 1.02 0.03 1.52 2.10 -1.98 -0.20 117.51 120.19 2keo h ILE 28 Ca -0.46 -0.16 -0.00 0.00 1.08 0.00 0.00 64.86 65.32 2keo h ILE 28 Cb 1.25 0.52 0.00 0.00 -1.09 0.00 0.00 36.82 37.50 2keo h ILE 28 CO 0.58 0.08 -0.01 0.00 -1.08 0.00 0.00 178.15 177.72 2keo h ALA 29 N 1.75 -0.04 -0.19 0.18 0.00 -1.94 -1.70 119.26 117.31 2keo h ALA 29 Ca 0.18 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 2keo h ALA 29 Cb 0.15 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2keo h ALA 29 CO -0.05 -0.52 -0.26 0.22 0.00 0.00 0.00 179.25 178.65 2keo h ASP 30 N -0.05 0.36 -0.43 0.00 3.58 -1.79 -2.33 116.42 115.78 2keo h ASP 30 Ca -0.00 -0.12 -0.01 0.00 0.42 0.00 0.00 57.03 57.32 2keo h ASP 30 Cb 0.04 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 40.97 2keo h ASP 30 CO 0.01 0.62 0.25 0.25 -2.88 0.00 0.00 179.24 177.49 2keo h LEU 31 N 0.32 0.52 0.37 2.28 5.85 -0.80 -1.15 115.31 122.70 2keo h LEU 31 Ca 0.05 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 2keo h LEU 31 Cb 0.63 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.53 2keo h LEU 31 CO 0.05 0.44 -0.18 -0.33 -0.34 0.00 0.00 178.44 178.08 2keo h GLU 32 N 0.56 -0.48 -0.11 1.25 4.39 -1.08 -2.49 114.58 116.62 2keo h GLU 32 Ca 0.15 0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.89 2keo h GLU 32 Cb 0.03 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 2keo h GLU 32 CO -0.03 -0.24 0.04 -0.91 -1.16 0.00 0.00 179.01 176.72 2keo h ASN 33 N -0.64 0.05 0.27 1.42 2.35 -1.37 -1.87 115.58 115.79 2keo h ASN 33 Ca -0.05 0.01 -0.12 0.00 -0.55 0.00 0.00 56.30 55.59 2keo h ASN 33 Cb 0.47 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.82 2keo h ASN 33 CO 0.08 0.05 -0.45 -0.74 -1.65 0.00 0.00 177.43 174.72 2keo h HIS 34 N 0.10 0.28 -0.18 1.19 2.76 -1.30 -0.90 115.15 117.11 2keo h HIS 34 Ca 0.05 -0.08 -0.02 0.00 -2.20 0.00 0.00 60.37 58.12 2keo h HIS 34 Cb 0.02 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 28.91 2keo h HIS 34 CO -0.10 0.65 0.05 -0.97 -1.30 0.00 0.00 177.93 176.26 2keo h ASN 35 N 0.19 0.26 0.98 3.26 -1.24 -1.14 -1.89 115.58 115.99 2keo h ASN 35 Ca 0.01 -0.21 -0.05 0.00 0.71 0.00 0.00 56.30 56.76 2keo h ASN 35 Cb 0.88 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 39.85 2keo h ASN 35 CO 0.07 0.41 -0.25 0.78 -1.29 0.00 0.00 177.43 177.14 2keo h ASN 36 N 0.10 0.00 0.60 1.15 2.35 -1.14 -2.37 115.58 116.27 2keo h ASN 36 Ca 0.06 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.77 2keo h ASN 36 Cb 0.24 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 2keo h ASN 36 CO -0.00 0.25 -0.18 -0.78 -1.65 0.00 0.00 177.43 175.07 2keo h ASP 37 N 0.00 0.00 0.00 5.81 3.58 -1.02 -3.47 116.42 121.32 2keo h ASP 37 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2keo h ASP 37 Cb 0.81 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.86 2keo h ASP 37 CO 0.03 0.18 0.00 0.61 -2.88 0.00 0.00 179.24 177.18 2keo n GLY 38 N -0.32 1.10 3.56 -0.78 0.00 -0.89 -5.06 105.19 102.80 2keo n GLY 38 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.62 1.02 -0.42 -0.02 0.00 -0.73 -4.95 107.32 101.61 2keo s GLY 39 Ca 0.00 -1.99 -0.29 0.00 0.00 0.00 0.00 44.72 42.45 2keo s GLY 39 CO 0.00 2.82 1.42 -0.12 0.00 0.00 0.00 173.10 177.22 2keo s PHE 40 N 5.93 2.39 0.47 1.90 2.19 -1.26 -3.17 117.98 126.42 2keo s PHE 40 Ca 0.49 0.67 0.08 0.00 0.33 0.00 0.00 56.93 58.49 2keo s PHE 40 Cb -0.02 -4.32 0.01 0.00 -1.31 0.00 0.00 43.02 37.38 2keo s PHE 40 CO -0.04 -1.99 0.49 -1.58 1.83 0.00 0.00 175.22 173.92 2keo s TRP 41 N 5.48 2.32 -0.26 10.12 0.51 -1.26 -1.20 118.94 134.64 2keo s TRP 41 Ca 0.61 -0.58 -0.20 0.00 -2.12 0.00 0.00 56.10 53.82 2keo s TRP 41 Cb -0.14 -2.17 0.07 0.00 -0.81 0.00 0.00 33.47 30.42 2keo s TRP 41 CO 0.33 -0.41 0.67 -0.08 -0.51 0.00 0.00 176.95 176.94 2keo s THR 42 N -2.54 -0.00 -0.40 2.01 -1.32 0.46 -4.79 115.64 109.05 2keo s THR 42 Ca 0.49 0.01 -0.19 0.00 -1.21 0.00 0.00 61.69 60.78 2keo s THR 42 Cb -0.05 -0.95 0.01 0.00 -1.51 0.00 0.00 72.50 70.01 2keo s THR 42 CO 0.30 0.00 0.58 -0.69 -2.21 0.00 0.00 174.62 172.59 2keo s VAL 43 N 0.92 4.92 -0.22 5.08 1.01 -1.26 -1.15 120.40 129.70 2keo s VAL 43 Ca -0.04 0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.09 2keo s VAL 43 Cb -0.05 -4.11 0.05 0.00 0.00 0.00 0.00 36.38 32.27 2keo s VAL 43 CO -0.08 -0.45 -0.10 -0.63 0.00 0.00 0.00 175.10 173.85 2keo s ILE 44 N 2.59 1.73 -1.08 2.22 1.01 0.26 -4.85 121.20 123.08 2keo s ILE 44 Ca 0.20 -1.16 -0.04 0.00 0.00 0.00 0.00 60.65 59.66 2keo s ILE 44 Cb -0.15 -1.84 0.00 0.00 0.01 0.00 0.00 42.46 40.49 2keo s ILE 44 CO 0.16 0.09 0.92 -0.67 0.00 0.00 0.00 174.94 175.44 2keo n ASP 45 N 4.63 -3.79 0.00 3.58 2.03 -1.26 -2.35 116.55 119.40 2keo n ASP 45 Ca -0.14 -0.49 0.00 0.00 0.52 0.00 0.00 54.79 54.68 2keo n ASP 45 Cb 0.45 -4.36 0.00 0.00 -0.72 0.00 0.00 41.12 36.49 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 -1.43 0.43 3.48 0.27 0.00 -1.26 -5.00 105.19 101.67 2keo n GLY 46 Ca -0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.53 1.71 -0.24 1.61 -0.14 -0.99 -1.40 119.74 119.76 2keo s LYS 47 Ca 0.00 -1.54 -0.01 0.00 -1.36 0.00 0.00 55.97 53.06 2keo s LYS 47 Cb 0.00 -1.90 0.02 0.00 -1.68 0.00 0.00 37.83 34.27 2keo s LYS 47 CO 0.00 0.39 -0.08 0.08 -0.76 0.00 0.00 175.35 174.98 2keo s VAL 48 N -1.94 2.82 0.21 3.17 1.01 -0.16 -0.58 120.40 124.93 2keo s VAL 48 Ca 0.25 -0.98 0.08 0.00 0.00 0.00 0.00 61.98 61.32 2keo s VAL 48 Cb -0.07 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.87 2keo s VAL 48 CO 0.13 0.25 0.01 -0.31 0.00 0.00 0.00 175.10 175.18 2keo s TYR 49 N 1.33 2.82 0.18 5.22 2.02 -0.30 -1.58 117.35 127.04 2keo s TYR 49 Ca 0.01 -0.16 -0.07 0.00 -0.37 0.00 0.00 57.07 56.48 2keo s TYR 49 Cb -0.16 -1.32 -0.06 0.00 -0.40 0.00 0.00 41.96 40.01 2keo s TYR 49 CO -0.05 0.55 0.46 0.16 -1.57 0.00 0.00 175.55 175.09 2keo s ASP 50 N -3.22 6.55 -0.06 2.29 1.47 -1.08 -0.40 116.67 122.21 2keo s ASP 50 Ca 0.29 0.74 0.17 0.00 1.18 0.00 0.00 52.55 54.93 2keo s ASP 50 Cb -0.08 -2.15 -0.25 0.00 -0.34 0.00 0.00 42.92 40.09 2keo s ASP 50 CO 0.19 -0.00 0.29 -0.38 0.68 0.00 0.00 175.17 175.95 2keo n ILE 51 N -0.01 0.33 0.46 2.11 2.08 -0.34 -4.33 119.36 119.66 2keo n ILE 51 Ca -0.01 -0.49 -0.19 0.00 0.56 0.00 0.00 62.75 62.62 2keo n ILE 51 Cb 0.52 -0.10 -0.09 0.00 -0.75 0.00 0.00 39.64 39.22 2keo n ILE 51 CO 0.00 0.00 0.00 0.50 0.56 0.00 0.00 176.55 177.61 2keo h LYS 52 N 0.00 -1.14 0.00 0.38 3.11 -1.87 -2.00 116.57 115.06 2keo h LYS 52 Ca -0.13 0.08 -0.18 0.00 -2.81 0.00 0.00 60.65 57.61 2keo h LYS 52 Cb 1.16 0.26 -0.02 0.00 -1.00 0.00 0.00 32.23 32.63 2keo h LYS 52 CO 0.01 -0.76 -0.84 0.22 -2.81 0.00 0.00 179.45 175.27 2keo h ASP 53 N -1.27 0.08 -0.09 4.20 3.58 -1.86 -3.26 116.42 117.79 2keo h ASP 53 Ca -0.12 -0.07 0.04 0.00 0.42 0.00 0.00 57.03 57.31 2keo h ASP 53 Cb 0.91 -0.02 -0.06 0.00 1.72 0.00 0.00 39.33 41.88 2keo h ASP 53 CO 0.20 0.88 -0.30 0.15 -2.88 0.00 0.00 179.24 177.29 2keo h PHE 54 N 0.03 -0.83 0.00 0.28 3.04 -1.74 -0.78 116.94 116.94 2keo h PHE 54 Ca -0.02 0.03 -0.05 0.00 3.98 0.00 0.00 57.97 61.91 2keo h PHE 54 Cb 1.48 0.38 -0.01 0.00 2.56 0.00 0.00 35.95 40.36 2keo h PHE 54 CO 0.01 -0.39 -0.25 -0.56 -2.02 0.00 0.00 178.31 175.10 2keo h GLN 55 N -0.40 0.00 -0.31 1.11 3.07 -1.46 -1.23 115.11 115.88 2keo h GLN 55 Ca 0.09 0.00 -0.11 0.00 0.09 0.00 0.00 58.65 58.72 2keo h GLN 55 Cb 0.53 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.08 2keo h GLN 55 CO -0.32 0.25 -0.26 1.15 0.09 0.00 0.00 178.83 179.74 2keo h THR 56 N 0.00 1.27 0.00 1.86 2.02 -1.44 -3.20 112.91 113.43 2keo h THR 56 Ca -0.00 -1.35 -0.10 0.00 0.77 0.00 0.00 66.41 65.73 2keo h THR 56 Cb 0.56 1.32 -0.01 0.00 -1.74 0.00 0.00 68.15 68.28 2keo h THR 56 CO 0.03 0.44 -0.47 1.56 0.37 0.00 0.00 175.52 177.45 2keo h GLN 57 N 0.54 0.00 0.00 6.66 1.08 -0.01 -3.08 115.11 120.31 2keo h GLN 57 Ca 0.07 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 2keo h GLN 57 Cb 0.73 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.16 2keo h GLN 57 CO 0.06 0.47 0.00 -1.13 -0.95 0.00 0.00 178.83 177.28 2keo n SER 58 N -3.32 0.00 -0.27 1.46 3.41 -0.77 -2.05 113.62 112.08 2keo n SER 58 Ca 0.01 0.16 -0.06 0.00 -0.26 0.00 0.00 58.87 58.72 2keo n SER 58 Cb 0.66 -0.36 0.06 0.00 -0.26 0.00 0.00 64.21 64.31 2keo n SER 58 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2keo h LEU 59 N 0.00 1.06 -9.26 1.04 6.46 -1.59 -3.41 115.31 109.61 2keo h LEU 59 Ca 0.00 -0.18 -0.55 0.00 -0.12 0.00 0.00 57.88 57.03 2keo h LEU 59 Cb 0.27 -0.28 -0.00 0.00 -0.73 0.00 0.00 40.66 39.92 2keo h LEU 59 CO 0.00 0.96 1.13 -0.89 -0.62 0.00 0.00 178.44 179.02 2keo s THR 60 N -5.51 3.45 -0.57 1.05 2.01 -0.87 -4.88 115.64 110.32 2keo s THR 60 Ca -0.12 0.54 0.25 0.00 0.31 0.00 0.00 61.69 62.67 2keo s THR 60 Cb 0.15 -3.37 0.27 0.00 0.01 0.00 0.00 72.50 69.56 2keo s THR 60 CO 0.83 -0.07 1.75 -1.84 -0.69 0.00 0.00 174.62 174.60 2keo n GLU 61 N 7.31 0.23 -0.38 4.92 0.28 -1.26 -2.46 120.64 129.28 2keo n GLU 61 Ca 0.18 0.34 0.11 0.00 -0.16 0.00 0.00 57.16 57.64 2keo n GLU 61 Cb 0.43 -1.86 0.32 0.00 1.43 0.00 0.00 31.44 31.75 2keo n GLU 61 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2keo n ASN 62 N -2.28 3.96 -4.91 -1.84 3.02 -1.26 -4.82 115.26 107.13 2keo n ASN 62 Ca 0.04 -2.04 -0.27 0.00 -0.03 0.00 0.00 54.58 52.28 2keo n ASN 62 Cb 0.32 -0.48 0.01 0.00 -0.61 0.00 0.00 39.78 39.02 2keo n ASN 62 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2keo s SER 63 N -1.00 5.96 0.54 6.41 1.04 -1.03 -4.98 113.70 120.65 2keo s SER 63 Ca 0.48 0.81 0.32 0.00 0.48 0.00 0.00 55.95 58.03 2keo s SER 63 Cb 0.25 -1.99 1.51 0.00 0.10 0.00 0.00 66.02 65.89 2keo s SER 63 CO 0.32 -0.79 2.05 0.16 0.98 0.00 0.00 173.24 175.96 2keo h ILE 64 N 0.07 0.28 -0.00 -1.02 3.07 -1.91 -2.88 117.51 115.11 2keo h ILE 64 Ca -0.46 -0.53 0.00 0.00 1.55 0.00 0.00 64.86 65.41 2keo h ILE 64 Cb 1.23 1.41 0.00 0.00 -0.27 0.00 0.00 36.82 39.19 2keo h ILE 64 CO 0.61 0.08 -0.20 0.18 -1.05 0.00 0.00 178.15 177.76 2keo n LEU 65 N -3.32 0.38 0.07 0.16 4.77 -1.26 -3.75 117.00 114.05 2keo n LEU 65 Ca -0.01 0.13 -0.00 0.00 -0.03 0.00 0.00 56.01 56.09 2keo n LEU 65 Cb 0.26 -0.29 0.29 0.00 -2.33 0.00 0.00 43.42 41.36 2keo n LEU 65 CO 0.28 0.08 0.79 0.00 -1.33 0.00 0.00 177.39 177.21 2keo h ALA 66 N 3.27 1.29 0.00 -1.18 0.00 -1.67 -0.27 119.26 120.69 2keo h ALA 66 Ca 0.00 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.51 2keo h ALA 66 Cb 0.45 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2keo h ALA 66 CO 0.00 0.48 -0.51 -0.56 0.00 0.00 0.00 179.25 178.65 2keo h GLN 67 N 0.30 0.00 -0.01 0.00 3.07 -1.77 -3.03 115.11 113.68 2keo h GLN 67 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.79 2keo h GLN 67 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.12 2keo h GLN 67 CO 0.04 0.51 -0.21 1.19 0.09 0.00 0.00 178.83 180.46 2keo n PHE 68 N -3.41 0.00 -1.91 0.06 3.72 -0.91 -4.82 117.46 110.19 2keo n PHE 68 Ca 0.01 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.04 2keo n PHE 68 Cb 0.65 -0.17 -0.03 0.00 -0.94 0.00 0.00 39.48 38.99 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 -2.54 1.97 0.00 4.37 0.00 -0.16 -1.43 121.76 123.97 2keo s ALA 69 Ca 0.25 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 51.66 2keo s ALA 69 Cb 0.19 -4.34 0.00 0.00 0.00 0.00 0.00 23.12 18.98 2keo s ALA 69 CO 0.51 -4.15 0.00 0.41 0.00 0.00 0.00 175.76 172.54 2keo n GLY 70 N 5.87 1.33 3.91 0.00 0.00 -1.26 -5.04 105.19 110.00 2keo n GLY 70 Ca 0.26 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.00 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 3.61 0.14 1.61 2.56 -0.51 -5.07 118.70 121.03 2keo s GLU 71 Ca 0.00 -0.09 -0.33 0.00 0.00 0.00 0.00 54.97 54.55 2keo s GLU 71 Cb 0.00 -2.72 -0.12 0.00 2.00 0.00 0.00 34.13 33.29 2keo s GLU 71 CO 0.00 0.30 1.72 -3.47 -0.56 0.00 0.00 175.26 173.25 2keo n ASP 72 N -0.72 3.64 -0.34 -1.70 -0.08 -1.26 -4.84 116.55 111.24 2keo n ASP 72 Ca -0.02 1.04 0.22 0.00 -1.51 0.00 0.00 54.79 54.51 2keo n ASP 72 Cb 0.54 -1.49 0.44 0.00 2.34 0.00 0.00 41.12 42.95 2keo n ASP 72 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2keo h PRO 73 N 7.18 0.41 -0.02 -0.67 0.11 -1.98 0.08 132.00 137.11 2keo h PRO 73 Ca -0.45 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 2keo h PRO 73 Cb 1.23 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 2keo h PRO 73 CO 0.93 0.27 -0.02 0.28 -0.21 0.00 0.00 178.00 179.25 2keo h VAL 74 N 0.42 1.37 -0.83 3.15 2.07 -1.98 -0.99 116.25 119.47 2keo h VAL 74 Ca 0.70 -1.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 2keo h VAL 74 Cb 1.51 2.09 -0.04 0.00 -1.52 0.00 0.00 31.29 33.33 2keo h VAL 74 CO -0.54 0.30 0.45 0.58 0.02 0.00 0.00 177.57 178.38 2keo h VAL 75 N -0.40 1.24 -0.18 2.57 2.07 -1.81 -1.98 116.25 117.77 2keo h VAL 75 Ca 0.00 -0.61 -0.10 0.00 0.82 0.00 0.00 66.70 66.81 2keo h VAL 75 Cb 0.50 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 2keo h VAL 75 CO 0.01 0.27 -0.31 0.00 0.02 0.00 0.00 177.57 177.56 2keo h ALA 76 N 1.24 1.14 -0.15 1.67 0.00 -1.01 -2.16 119.26 119.99 2keo h ALA 76 Ca 0.29 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 2keo h ALA 76 Cb 0.04 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 2keo h ALA 76 CO -0.05 0.55 -0.09 1.25 0.00 0.00 0.00 179.25 180.92 2keo h LEU 77 N 0.31 0.34 -0.69 0.00 6.46 -0.65 -1.50 115.31 119.59 2keo h LEU 77 Ca 0.04 -0.42 -0.05 0.00 -0.12 0.00 0.00 57.88 57.32 2keo h LEU 77 Cb 0.70 -0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 40.51 2keo h LEU 77 CO 0.05 0.69 0.22 -0.33 -0.62 0.00 0.00 178.44 178.46 2keo h GLU 78 N -0.01 1.06 -0.62 1.25 5.08 -1.29 -0.02 114.58 120.03 2keo h GLU 78 Ca 0.03 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 58.12 2keo h GLU 78 Cb 0.57 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 2keo h GLU 78 CO 0.02 0.91 0.21 0.00 -1.00 0.00 0.00 179.01 179.16 2keo h ALA 79 N 1.10 1.20 0.00 3.43 0.00 -1.41 -2.38 119.26 121.20 2keo h ALA 79 Ca 0.22 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2keo h ALA 79 Cb 0.29 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2keo h ALA 79 CO -0.01 0.57 -0.20 0.00 0.00 0.00 0.00 179.25 179.61 2keo h ALA 80 N 1.32 0.96 -0.06 0.00 0.00 -0.62 -1.53 119.26 119.32 2keo h ALA 80 Ca 0.21 -0.18 -0.22 0.00 0.00 0.00 0.00 54.91 54.72 2keo h ALA 80 Cb 0.24 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2keo h ALA 80 CO -0.01 0.25 -0.86 -0.07 0.00 0.00 0.00 179.25 178.56 2keo h LEU 81 N 0.00 0.67 -0.80 0.00 3.38 -0.66 -2.39 115.31 115.50 2keo h LEU 81 Ca -0.00 -0.49 -0.10 0.00 0.09 0.00 0.00 57.88 57.39 2keo h LEU 81 Cb 0.85 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 2keo h LEU 81 CO 0.03 1.27 -0.46 -0.61 0.09 0.00 0.00 178.44 178.76 2keo h GLN 82 N 0.34 0.00 -5.21 1.13 5.75 -1.22 -3.43 115.11 112.47 2keo h GLN 82 Ca -0.07 0.00 -0.62 0.00 -0.15 0.00 0.00 58.65 57.81 2keo h GLN 82 Cb 1.47 0.00 -0.14 0.00 1.07 0.00 0.00 27.48 29.88 2keo h GLN 82 CO 0.16 0.46 -0.23 0.12 -2.65 0.00 0.00 178.83 176.69 2keo s PHE 83 N -3.53 3.27 0.30 3.99 5.36 -0.60 -4.99 117.98 121.78 2keo s PHE 83 Ca 0.00 0.45 0.01 0.00 -0.96 0.00 0.00 56.93 56.43 2keo s PHE 83 Cb 0.11 -2.56 0.47 0.00 -0.34 0.00 0.00 43.02 40.70 2keo s PHE 83 CO 0.71 -0.18 1.83 1.05 -1.46 0.00 0.00 175.22 177.17 2keo h GLU 84 N 8.00 0.70 0.00 10.12 4.11 -1.83 -1.69 114.58 133.99 2keo h GLU 84 Ca -0.32 -0.15 0.00 0.00 0.07 0.00 0.00 59.36 58.95 2keo h GLU 84 Cb 1.16 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.31 2keo h GLU 84 CO 0.66 0.68 0.00 -0.25 0.07 0.00 0.00 179.01 180.17 2keo n ASP 85 N -4.27 0.42 -0.00 3.06 9.92 -1.26 -3.10 116.55 121.33 2keo n ASP 85 Ca 0.03 0.59 0.01 0.00 -0.53 0.00 0.00 54.79 54.89 2keo n ASP 85 Cb 0.25 -0.68 -0.02 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 -1.95 0.00 0.23 -3.53 -2.24 -1.02 -4.67 114.28 101.11 2keo n THR 86 Ca 0.03 -0.29 0.12 0.00 -2.27 0.00 0.00 64.05 61.65 2keo n THR 86 Cb 0.25 0.78 0.38 0.00 -2.10 0.00 0.00 70.33 69.65 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 -0.34 -0.78 0.11 -0.77 -3.27 114.38 109.32 2keo h ARG 87 Ca 0.00 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 59.99 2keo h ARG 87 Cb 0.08 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.14 2keo h ARG 87 CO 0.00 0.09 -0.15 1.05 0.10 0.00 0.00 179.97 181.06 2keo h GLU 88 N 0.00 0.62 0.00 0.08 -0.00 -1.83 -2.21 114.58 111.23 2keo h GLU 88 Ca -0.00 -0.20 -0.04 0.00 -0.00 0.00 0.00 59.36 59.12 2keo h GLU 88 Cb 0.83 -0.05 -0.01 0.00 -0.00 0.00 0.00 28.75 29.52 2keo h GLU 88 CO 0.01 0.74 -0.19 1.03 -0.00 0.00 0.00 179.01 180.60 2keo h SER 89 N 0.56 0.00 0.27 3.06 0.87 -1.89 -3.10 113.55 113.32 2keo h SER 89 Ca 0.09 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 2keo h SER 89 Cb 0.58 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.54 2keo h SER 89 CO 0.04 0.19 0.00 0.23 -0.53 0.00 0.00 176.83 176.76 2keo n MET 90 N -3.17 0.30 0.19 2.24 2.81 -0.83 -1.30 117.12 117.36 2keo n MET 90 Ca 0.03 0.10 0.04 0.00 -1.81 0.00 0.00 57.70 56.06 2keo n MET 90 Cb 0.57 -1.50 0.37 0.00 -0.71 0.00 0.00 33.22 31.95 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 0.17 2.03 3.86 -1.53 -0.69 115.15 118.98 2keo h HIS 91 Ca 0.00 0.00 -0.33 0.00 -1.16 0.00 0.00 60.37 58.88 2keo h HIS 91 Cb 0.14 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.61 2keo h HIS 91 CO 0.00 0.37 -1.66 0.00 0.86 0.00 0.00 177.93 177.50 2keo h ALA 92 N 1.63 0.17 0.00 2.45 0.00 -1.43 -3.35 119.26 118.73 2keo h ALA 92 Ca -0.00 -1.13 -0.02 0.00 0.00 0.00 0.00 54.91 53.75 2keo h ALA 92 Cb 0.77 0.47 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 2keo h ALA 92 CO 0.05 0.97 -0.10 0.74 0.00 0.00 0.00 179.25 180.91 2keo h PHE 93 N -0.01 0.00 -1.09 0.00 0.04 -1.51 -3.38 116.94 110.98 2keo h PHE 93 Ca -0.34 0.00 -0.38 0.00 2.80 0.00 0.00 57.97 60.06 2keo h PHE 93 Cb 2.00 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 40.10 2keo h PHE 93 CO 0.11 0.10 0.96 0.00 -0.60 0.00 0.00 178.31 178.88 2keo h VAL 95 N 7.09 0.00 0.00 0.00 -1.51 -1.49 -3.48 116.25 116.87 2keo h VAL 95 Ca 0.02 -0.44 0.00 0.00 -1.23 0.00 0.00 66.70 65.04 2keo h VAL 95 Cb 1.04 1.40 0.00 0.00 -2.13 0.00 0.00 31.29 31.60 2keo h VAL 95 CO 1.24 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 178.19 2keo n GLY 96 N -0.01 -0.54 3.84 5.19 0.00 -1.17 -4.77 105.19 107.73 2keo n GLY 96 Ca 0.01 -1.09 -0.37 0.00 0.00 0.00 0.00 46.02 44.56 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 3.74 0.41 1.61 0.74 -0.26 -0.98 119.66 122.91 2keo s GLN 97 Ca 0.00 0.10 -0.24 0.00 0.05 0.00 0.00 55.36 55.27 2keo s GLN 97 Cb 0.00 -3.24 -0.08 0.00 1.10 0.00 0.00 33.01 30.79 2keo s GLN 97 CO 0.00 0.67 1.10 -0.47 -0.55 0.00 0.00 175.29 176.04 2keo s TYR 98 N -0.84 3.13 -0.06 1.67 5.04 -0.49 -1.30 117.35 124.50 2keo s TYR 98 Ca 0.18 1.60 -0.01 0.00 -2.44 0.00 0.00 57.07 56.40 2keo s TYR 98 Cb -0.14 -3.25 0.03 0.00 0.35 0.00 0.00 41.96 38.95 2keo s TYR 98 CO 0.07 -0.99 0.00 -1.17 -1.34 0.00 0.00 175.55 172.13 2keo s LEU 99 N -2.69 0.67 0.06 6.97 0.20 -0.18 -4.82 118.68 118.89 2keo s LEU 99 Ca 0.59 -0.07 -0.30 0.00 0.69 0.00 0.00 54.13 55.04 2keo s LEU 99 Cb -0.26 -0.39 -0.05 0.00 -0.43 0.00 0.00 46.19 45.07 2keo s LEU 99 CO 0.32 -0.18 0.99 -1.61 -0.29 0.00 0.00 176.35 175.58 2keo s GLU 100 N 1.80 4.62 0.52 1.98 2.02 -1.26 -3.98 118.70 124.41 2keo s GLU 100 Ca 0.02 1.47 0.20 0.00 0.02 0.00 0.00 54.97 56.67 2keo s GLU 100 Cb -0.13 -3.41 1.32 0.00 0.10 0.00 0.00 34.13 32.02 2keo s GLU 100 CO -0.04 0.07 2.09 -1.00 0.02 0.00 0.00 175.26 176.40 2keo h PRO 101 N 6.13 0.00 0.00 0.39 0.13 -1.97 -1.18 132.00 135.49 2keo h PRO 101 Ca -0.42 -0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.60 2keo h PRO 101 Cb 1.21 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 2keo h PRO 101 CO 0.74 0.00 -0.54 0.22 -0.23 0.00 0.00 178.00 178.19 2keo h ASP 102 N 0.00 0.00 0.36 1.44 3.58 -2.00 -3.13 116.42 116.68 2keo h ASP 102 Ca 0.11 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.49 2keo h ASP 102 Cb 0.42 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.46 2keo h ASP 102 CO -0.00 0.54 -0.29 -0.61 -2.88 0.00 0.00 179.24 176.00 2keo h GLN 103 N 0.00 0.00 -5.95 0.28 5.75 -1.61 -3.36 115.11 110.22 2keo h GLN 103 Ca -0.01 0.00 -0.52 0.00 -0.15 0.00 0.00 58.65 57.98 2keo h GLN 103 Cb 1.23 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.77 2keo h GLN 103 CO 0.07 0.29 1.43 -1.21 -2.65 0.00 0.00 178.83 176.76 2keo s GLU 104 N -4.25 2.72 0.00 1.69 0.41 -1.15 -2.64 118.70 115.48 2keo s GLU 104 Ca -0.03 1.20 0.00 0.00 -0.41 0.00 0.00 54.97 55.74 2keo s GLU 104 Cb 0.14 -4.39 0.00 0.00 -1.78 0.00 0.00 34.13 28.10 2keo s GLU 104 CO 0.69 -2.59 0.00 0.41 -0.49 0.00 0.00 175.26 173.29 2keo n GLY 105 N 5.72 0.93 3.71 -1.39 0.00 -1.26 -5.03 105.19 107.87 2keo n GLY 105 Ca 0.27 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.73 2.83 -0.01 1.61 0.11 -1.08 -5.01 120.40 116.12 2keo s VAL 106 Ca 0.00 0.55 -0.25 0.00 -2.93 0.00 0.00 61.98 59.35 2keo s VAL 106 Cb 0.00 -3.35 -0.04 0.00 -1.53 0.00 0.00 36.38 31.46 2keo s VAL 106 CO 0.00 0.03 0.76 0.28 -3.33 0.00 0.00 175.10 172.85 2keo s THR 107 N 1.42 4.89 -0.26 5.04 -1.32 -1.26 -5.07 115.64 119.08 2keo s THR 107 Ca 0.70 1.60 -0.12 0.00 -1.21 0.00 0.00 61.69 62.65 2keo s THR 107 Cb -0.42 -4.11 -0.05 0.00 -1.51 0.00 0.00 72.50 66.42 2keo s THR 107 CO 0.31 0.29 0.24 -0.63 -2.21 0.00 0.00 174.62 172.62 2keo s ILE 108 N 0.44 5.29 0.59 5.08 1.01 -1.26 -5.11 121.20 127.23 2keo s ILE 108 Ca 0.40 0.30 -0.04 0.00 0.00 0.00 0.00 60.65 61.30 2keo s ILE 108 Cb -0.19 -3.57 0.02 0.00 0.01 0.00 0.00 42.46 38.72 2keo s ILE 108 CO 0.21 0.25 0.88 -2.16 0.00 0.00 0.00 174.94 174.12 2keo s PRO 109 N 1.62 2.78 -0.05 2.79 0.04 -1.26 -5.03 135.00 135.89 2keo s PRO 109 Ca 0.10 -0.19 0.22 0.00 0.04 0.00 0.00 61.00 61.16 2keo s PRO 109 Cb -0.15 -2.31 -0.32 0.00 0.04 0.00 0.00 34.50 31.75 2keo s PRO 109 CO 0.09 -0.73 0.44 -0.40 0.04 0.00 0.00 177.00 176.44 2keo n ASP 110 N -2.55 0.02 -4.54 6.66 5.75 -1.26 -4.66 116.55 115.97 2keo n ASP 110 Ca 0.05 0.01 -0.42 0.00 -0.01 0.00 0.00 54.79 54.42 2keo n ASP 110 Cb 0.58 1.85 -0.00 0.00 -1.03 0.00 0.00 41.12 42.52 2keo n ASP 110 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2keo n LEU 111 N -2.33 4.92 0.00 -2.12 4.32 -1.26 -5.40 117.00 115.13 2keo n LEU 111 Ca -0.07 -3.88 0.00 0.00 -0.02 0.00 0.00 56.01 52.03 2keo n LEU 111 Cb 0.64 -1.74 0.00 0.00 -1.62 0.00 0.00 43.42 40.70 2keo n LEU 111 CO 0.46 0.07 0.00 0.61 -1.22 0.00 0.00 177.39 177.31