#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 0.57 -0.12 3.49 -0.14 -1.26 -5.18 119.74 117.11 2keo s LYS 22 Ca 0.00 -0.97 -0.06 0.00 -1.36 0.00 0.00 55.97 53.59 2keo s LYS 22 Cb 0.00 0.21 0.06 0.00 -1.68 0.00 0.00 37.83 36.42 2keo s LYS 22 CO 0.00 -0.12 0.28 0.54 -0.76 0.00 0.00 175.35 175.28 2keo s VAL 23 N -3.15 -0.19 -0.23 3.17 0.11 -1.26 -5.13 120.40 113.72 2keo s VAL 23 Ca -0.00 0.19 -0.29 0.00 -2.93 0.00 0.00 61.98 58.95 2keo s VAL 23 Cb 0.02 -0.44 -0.02 0.00 -1.53 0.00 0.00 36.38 34.42 2keo s VAL 23 CO -0.07 0.08 1.47 -0.89 -3.33 0.00 0.00 175.10 172.35 2keo s THR 24 N 1.72 3.91 -0.51 5.04 2.01 -1.26 -4.97 115.64 121.59 2keo s THR 24 Ca -0.05 1.05 -0.18 0.00 0.31 0.00 0.00 61.69 62.81 2keo s THR 24 Cb -0.11 -3.88 0.07 0.00 0.01 0.00 0.00 72.50 68.60 2keo s THR 24 CO -0.09 -0.31 0.58 -0.76 -0.69 0.00 0.00 174.62 173.34 2keo s LEU 25 N 4.61 5.24 -0.25 4.42 1.43 -1.26 -1.37 118.68 131.50 2keo s LEU 25 Ca 0.64 -1.13 -0.15 0.00 -1.03 0.00 0.00 54.13 52.46 2keo s LEU 25 Cb -0.22 -2.35 -0.04 0.00 0.03 0.00 0.00 46.19 43.61 2keo s LEU 25 CO 0.25 -0.87 0.37 -0.69 0.23 0.00 0.00 176.35 175.65 2keo s VAL 26 N 2.36 5.19 0.82 -1.59 1.01 -0.27 -4.86 120.40 123.05 2keo s VAL 26 Ca 0.11 0.59 -0.12 0.00 0.00 0.00 0.00 61.98 62.57 2keo s VAL 26 Cb -0.22 -3.70 0.08 0.00 0.00 0.00 0.00 36.38 32.55 2keo s VAL 26 CO 0.09 0.19 1.15 -0.13 0.00 0.00 0.00 175.10 176.41 2keo s ARG 27 N 1.80 1.91 0.18 2.72 0.52 -1.25 -1.39 118.95 123.44 2keo s ARG 27 Ca 0.16 0.23 -0.13 0.00 -0.52 0.00 0.00 55.73 55.47 2keo s ARG 27 Cb -0.15 -1.93 0.15 0.00 0.52 0.00 0.00 34.95 33.54 2keo s ARG 27 CO 0.09 -1.66 1.77 0.97 0.02 0.00 0.00 175.30 176.49 2keo h ILE 28 N -1.10 0.90 -0.81 1.52 2.10 -1.98 -2.72 117.51 115.42 2keo h ILE 28 Ca -0.47 -0.15 0.01 0.00 1.08 0.00 0.00 64.86 65.33 2keo h ILE 28 Cb 1.32 0.42 -0.04 0.00 -1.09 0.00 0.00 36.82 37.43 2keo h ILE 28 CO 0.64 0.08 0.54 0.00 -1.08 0.00 0.00 178.15 178.33 2keo h ALA 29 N 1.30 1.42 -0.20 0.18 0.00 -1.94 -2.09 119.26 117.94 2keo h ALA 29 Ca 0.23 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 2keo h ALA 29 Cb 0.19 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2keo h ALA 29 CO -0.19 0.54 -0.00 -0.44 0.00 0.00 0.00 179.25 179.15 2keo h ASP 30 N 1.10 0.35 0.39 0.00 3.32 -1.87 -1.07 116.42 118.64 2keo h ASP 30 Ca 0.30 -0.32 -0.15 0.00 0.02 0.00 0.00 57.03 56.88 2keo h ASP 30 Cb -0.13 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 2keo h ASP 30 CO -0.06 0.58 -0.61 0.17 -1.72 0.00 0.00 179.24 177.59 2keo h LEU 31 N 0.10 0.25 -0.17 1.55 8.10 -1.37 -0.18 115.31 123.59 2keo h LEU 31 Ca 0.06 -0.15 -0.01 0.00 0.11 0.00 0.00 57.88 57.89 2keo h LEU 31 Cb 0.40 -0.07 -0.01 0.00 -0.44 0.00 0.00 40.66 40.54 2keo h LEU 31 CO 0.01 0.80 0.06 -0.33 -4.11 0.00 0.00 178.44 174.87 2keo h GLU 32 N 0.16 0.27 0.00 0.17 4.39 -1.32 -2.85 114.58 115.40 2keo h GLU 32 Ca -0.01 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.57 2keo h GLU 32 Cb 1.12 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.72 2keo h GLU 32 CO 0.09 0.37 -0.32 -0.91 -1.16 0.00 0.00 179.01 177.08 2keo h ASN 33 N 0.11 0.00 0.74 1.42 2.35 -1.13 -2.87 115.58 116.20 2keo h ASN 33 Ca 0.06 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.70 2keo h ASN 33 Cb 0.21 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 2keo h ASN 33 CO -0.00 0.32 -0.53 -0.74 -1.65 0.00 0.00 177.43 174.83 2keo h HIS 34 N 0.00 0.00 -0.26 1.19 2.76 -1.02 -1.41 115.15 116.41 2keo h HIS 34 Ca -0.00 0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.17 2keo h HIS 34 Cb 1.11 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.05 2keo h HIS 34 CO 0.00 0.53 0.16 -0.97 -1.30 0.00 0.00 177.93 176.34 2keo h ASN 35 N 0.00 0.26 0.72 3.26 -1.24 -1.23 0.34 115.58 117.70 2keo h ASN 35 Ca -0.01 -0.00 -0.08 0.00 0.71 0.00 0.00 56.30 56.93 2keo h ASN 35 Cb 1.04 -0.06 -0.01 0.00 0.73 0.00 0.00 38.32 40.02 2keo h ASN 35 CO 0.07 0.19 -0.37 -1.13 -1.29 0.00 0.00 177.43 174.91 2keo h ASN 36 N 0.33 0.00 0.39 1.15 -0.73 -1.56 -2.85 115.58 112.30 2keo h ASN 36 Ca 0.10 0.00 -0.08 0.00 1.87 0.00 0.00 56.30 58.19 2keo h ASN 36 Cb -0.02 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.56 2keo h ASN 36 CO -0.04 0.37 -0.39 -0.78 -0.37 0.00 0.00 177.43 176.22 2keo h ASP 37 N 0.00 0.00 0.00 1.15 3.58 -0.84 -3.46 116.42 116.85 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 0.83 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.88 2keo h ASP 37 CO 0.05 0.39 0.00 0.61 -2.88 0.00 0.00 179.24 177.40 2keo n GLY 38 N -0.43 1.17 3.15 -0.78 0.00 -0.73 -5.08 105.19 102.49 2keo n GLY 38 Ca -0.02 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.22 -0.42 -0.02 0.00 0.03 -5.01 107.32 99.14 2keo s GLY 39 Ca 0.00 1.22 -0.29 0.00 0.00 0.00 0.00 44.72 45.65 2keo s GLY 39 CO 0.00 3.75 1.37 -0.12 0.00 0.00 0.00 173.10 178.11 2keo s PHE 40 N 2.85 2.46 0.20 1.90 5.36 -1.26 -2.42 117.98 127.07 2keo s PHE 40 Ca 0.13 0.68 0.05 0.00 -0.96 0.00 0.00 56.93 56.82 2keo s PHE 40 Cb -0.09 -4.34 -0.04 0.00 -0.34 0.00 0.00 43.02 38.22 2keo s PHE 40 CO -0.26 -1.88 0.23 -1.58 -1.46 0.00 0.00 175.22 170.27 2keo s TRP 41 N 5.31 3.27 -0.08 10.12 0.51 -1.26 -1.09 118.94 135.73 2keo s TRP 41 Ca 0.59 -0.01 -0.11 0.00 -2.12 0.00 0.00 56.10 54.45 2keo s TRP 41 Cb -0.13 -1.53 0.02 0.00 -0.81 0.00 0.00 33.47 31.03 2keo s TRP 41 CO 0.33 0.50 0.29 -0.08 -0.51 0.00 0.00 176.95 177.48 2keo s THR 42 N -1.89 0.02 -0.27 2.01 -1.32 -0.54 -4.84 115.64 108.81 2keo s THR 42 Ca 0.33 -0.19 -0.14 0.00 -1.21 0.00 0.00 61.69 60.48 2keo s THR 42 Cb -0.09 -0.47 -0.04 0.00 -1.51 0.00 0.00 72.50 70.38 2keo s THR 42 CO 0.26 -0.10 0.33 0.54 -2.21 0.00 0.00 174.62 173.44 2keo s VAL 43 N -0.38 5.21 -0.05 5.08 0.11 -1.26 -1.35 120.40 127.77 2keo s VAL 43 Ca -0.05 0.48 -0.00 0.00 -2.93 0.00 0.00 61.98 59.48 2keo s VAL 43 Cb -0.03 -3.66 0.03 0.00 -1.53 0.00 0.00 36.38 31.18 2keo s VAL 43 CO 0.02 0.19 0.00 -0.63 -3.33 0.00 0.00 175.10 171.34 2keo s ILE 44 N 1.94 0.25 -1.47 7.04 1.01 -0.22 -4.87 121.20 124.88 2keo s ILE 44 Ca 0.13 0.12 -0.02 0.00 0.00 0.00 0.00 60.65 60.88 2keo s ILE 44 Cb -0.16 -0.38 0.00 0.00 0.01 0.00 0.00 42.46 41.94 2keo s ILE 44 CO 0.10 0.20 0.30 -0.67 0.00 0.00 0.00 174.94 174.87 2keo n ASP 45 N 4.62 -5.50 -0.68 3.58 2.03 -1.26 -1.83 116.55 117.50 2keo n ASP 45 Ca -0.17 -0.15 -0.09 0.00 0.52 0.00 0.00 54.79 54.90 2keo n ASP 45 Cb 0.50 -4.43 -0.04 0.00 -0.72 0.00 0.00 41.12 36.43 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 -1.25 1.06 3.24 0.27 0.00 -1.26 -5.02 105.19 102.23 2keo n GLY 46 Ca -0.15 -0.59 -0.25 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.71 1.32 -0.28 1.61 -0.14 -0.76 -1.68 119.74 117.09 2keo s LYS 47 Ca 0.00 -0.94 -0.11 0.00 -1.36 0.00 0.00 55.97 53.56 2keo s LYS 47 Cb 0.00 -1.43 -0.05 0.00 -1.68 0.00 0.00 37.83 34.67 2keo s LYS 47 CO 0.00 0.36 0.20 0.08 -0.76 0.00 0.00 175.35 175.23 2keo s VAL 48 N -0.83 5.30 0.35 3.17 1.01 -0.48 -1.05 120.40 127.87 2keo s VAL 48 Ca 0.07 0.16 0.08 0.00 0.00 0.00 0.00 61.98 62.29 2keo s VAL 48 Cb -0.09 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 2keo s VAL 48 CO 0.02 0.23 0.13 -0.31 0.00 0.00 0.00 175.10 175.16 2keo s TYR 49 N 1.77 2.67 0.39 5.22 2.02 -0.45 -1.18 117.35 127.78 2keo s TYR 49 Ca 0.07 -0.42 0.00 0.00 -0.37 0.00 0.00 57.07 56.36 2keo s TYR 49 Cb -0.16 -1.67 -0.02 0.00 -0.40 0.00 0.00 41.96 39.71 2keo s TYR 49 CO 0.11 0.33 0.60 0.16 -1.57 0.00 0.00 175.55 175.18 2keo s ASP 50 N -3.84 6.14 -0.04 2.29 1.47 -1.07 -1.47 116.67 120.15 2keo s ASP 50 Ca 0.38 0.41 0.04 0.00 1.18 0.00 0.00 52.55 54.55 2keo s ASP 50 Cb -0.01 -1.86 -0.05 0.00 -0.34 0.00 0.00 42.92 40.65 2keo s ASP 50 CO 0.22 -0.44 0.02 -0.38 0.68 0.00 0.00 175.17 175.26 2keo n ILE 51 N -1.90 0.28 0.08 2.11 2.08 -0.25 -4.56 119.36 117.20 2keo n ILE 51 Ca -0.02 -0.18 -0.12 0.00 0.56 0.00 0.00 62.75 62.99 2keo n ILE 51 Cb 0.57 -0.88 -0.06 0.00 -0.75 0.00 0.00 39.64 38.52 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 -0.26 0.02 0.38 2.10 -1.96 -1.97 116.57 114.88 2keo h LYS 52 Ca -0.11 0.02 -0.21 0.00 -2.00 0.00 0.00 60.65 58.35 2keo h LYS 52 Cb 1.25 0.06 -0.02 0.00 -0.90 0.00 0.00 32.23 32.62 2keo h LYS 52 CO 0.01 -0.17 -0.97 0.22 -2.00 0.00 0.00 179.45 176.53 2keo h ASP 53 N -0.27 0.12 0.24 7.07 3.58 -1.93 -3.25 116.42 121.98 2keo h ASP 53 Ca 0.03 -0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.36 2keo h ASP 53 Cb 0.29 -0.04 -0.04 0.00 1.72 0.00 0.00 39.33 41.27 2keo h ASP 53 CO -0.09 1.02 -0.49 0.15 -2.88 0.00 0.00 179.24 176.95 2keo h PHE 54 N 0.03 -1.39 0.00 0.28 3.04 -1.77 -2.50 116.94 114.64 2keo h PHE 54 Ca -0.04 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 61.90 2keo h PHE 54 Cb 1.67 0.57 -0.01 0.00 2.56 0.00 0.00 35.95 40.75 2keo h PHE 54 CO 0.02 -0.58 -0.21 -0.56 -2.02 0.00 0.00 178.31 174.95 2keo h GLN 55 N -0.79 0.00 -0.39 1.11 3.07 -1.46 -0.91 115.11 115.74 2keo h GLN 55 Ca -0.02 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.69 2keo h GLN 55 Cb 0.74 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.29 2keo h GLN 55 CO -0.19 0.21 0.15 1.15 0.09 0.00 0.00 178.83 180.24 2keo h THR 56 N 0.00 1.20 0.00 1.86 2.02 -1.57 -2.81 112.91 113.61 2keo h THR 56 Ca -0.00 -0.63 0.00 0.00 0.77 0.00 0.00 66.41 66.55 2keo h THR 56 Cb 0.41 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 2keo h THR 56 CO 0.03 0.23 0.00 0.00 0.37 0.00 0.00 175.52 176.14 2keo n GLN 57 N -4.64 0.18 0.26 6.66 6.02 -0.73 -2.54 117.38 122.60 2keo n GLN 57 Ca -0.00 0.21 0.17 0.00 -0.01 0.00 0.00 57.00 57.36 2keo n GLN 57 Cb 0.15 -1.74 0.63 0.00 1.02 0.00 0.00 30.24 30.30 2keo n GLN 57 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 2keo h SER 58 N 0.00 0.00 0.52 1.08 0.02 -0.93 -2.76 113.55 111.49 2keo h SER 58 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2keo h SER 58 Cb 0.60 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.14 2keo h SER 58 CO 0.00 0.00 -0.07 0.18 -1.14 0.00 0.00 176.83 175.80 2keo n LEU 59 N -3.03 0.21 -4.76 5.07 4.77 -1.05 -4.10 117.00 114.10 2keo n LEU 59 Ca 0.01 0.18 -0.38 0.00 -0.03 0.00 0.00 56.01 55.79 2keo n LEU 59 Cb 0.32 -0.26 -0.06 0.00 -2.33 0.00 0.00 43.42 41.09 2keo n LEU 59 CO 0.27 0.04 0.18 -0.89 -1.33 0.00 0.00 177.39 175.66 2keo s THR 60 N -2.59 5.09 0.06 -5.08 2.01 -1.04 -5.01 115.64 109.08 2keo s THR 60 Ca 0.27 0.99 -0.23 0.00 0.31 0.00 0.00 61.69 63.02 2keo s THR 60 Cb 0.20 -3.82 -0.15 0.00 0.01 0.00 0.00 72.50 68.74 2keo s THR 60 CO 0.48 0.40 1.61 -0.08 -0.69 0.00 0.00 174.62 176.34 2keo h GLU 61 N 6.05 0.05 -1.85 4.92 4.57 -1.88 -3.16 114.58 123.27 2keo h GLU 61 Ca -0.44 -0.01 -0.31 0.00 -1.18 0.00 0.00 59.36 57.42 2keo h GLU 61 Cb 1.19 -0.01 -0.12 0.00 -0.16 0.00 0.00 28.75 29.66 2keo h GLU 61 CO 0.71 0.18 0.18 -1.71 -1.18 0.00 0.00 179.01 177.19 2keo n ASN 62 N -4.99 6.05 -4.29 1.04 5.15 -1.26 -4.79 115.26 112.17 2keo n ASN 62 Ca -0.07 -2.89 -0.27 0.00 -0.60 0.00 0.00 54.58 50.75 2keo n ASN 62 Cb 0.10 -1.20 -0.14 0.00 -0.53 0.00 0.00 39.78 38.00 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 0.89 2.75 0.58 1.20 0.01 -1.20 -5.01 113.70 112.92 2keo s SER 63 Ca 0.43 -0.55 0.28 0.00 1.31 0.00 0.00 55.95 57.42 2keo s SER 63 Cb 0.27 -0.24 1.73 0.00 0.21 0.00 0.00 66.02 67.99 2keo s SER 63 CO -0.08 0.20 2.21 0.16 0.41 0.00 0.00 173.24 176.14 2keo h ILE 64 N 4.30 0.57 0.00 1.44 3.07 -1.89 -2.38 117.51 122.62 2keo h ILE 64 Ca -0.44 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.97 2keo h ILE 64 Cb 1.15 0.96 0.00 0.00 -0.27 0.00 0.00 36.82 38.67 2keo h ILE 64 CO 0.44 0.00 0.00 0.18 -1.05 0.00 0.00 178.15 177.72 2keo n LEU 65 N -3.92 0.02 0.24 0.16 4.77 -1.26 -3.07 117.00 113.95 2keo n LEU 65 Ca -0.02 0.50 0.14 0.00 -0.03 0.00 0.00 56.01 56.60 2keo n LEU 65 Cb 0.14 -0.50 0.42 0.00 -2.33 0.00 0.00 43.42 41.15 2keo n LEU 65 CO 0.28 -0.09 0.88 0.00 -1.33 0.00 0.00 177.39 177.13 2keo h ALA 66 N 2.83 0.99 0.00 -1.18 0.00 -1.57 -1.70 119.26 118.62 2keo h ALA 66 Ca 0.00 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.70 2keo h ALA 66 Cb 0.43 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2keo h ALA 66 CO 0.00 0.05 -0.81 -0.56 0.00 0.00 0.00 179.25 177.93 2keo h GLN 67 N 0.00 0.00 -0.09 0.00 3.07 -1.73 -3.17 115.11 113.19 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 0.77 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.33 2keo h GLN 67 CO 0.01 0.81 0.00 1.19 0.09 0.00 0.00 178.83 180.92 2keo n PHE 68 N -3.49 0.11 -2.07 0.06 3.72 -0.94 -4.91 117.46 109.94 2keo n PHE 68 Ca -0.00 -0.06 -0.42 0.00 -0.05 0.00 0.00 57.45 56.92 2keo n PHE 68 Cb 0.80 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.31 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 -1.89 3.64 0.00 4.37 0.00 -0.68 -1.98 121.76 125.22 2keo s ALA 69 Ca 0.34 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.39 2keo s ALA 69 Cb 0.18 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.67 2keo s ALA 69 CO 0.28 -0.94 0.00 0.41 0.00 0.00 0.00 175.76 175.51 2keo n GLY 70 N 3.78 3.17 3.91 0.00 0.00 -1.26 -5.05 105.19 109.73 2keo n GLY 70 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.69 3.57 0.24 1.61 2.56 -0.84 -5.06 118.70 120.09 2keo s GLU 71 Ca 0.00 0.05 -0.31 0.00 0.00 0.00 0.00 54.97 54.71 2keo s GLU 71 Cb 0.00 -2.50 -0.11 0.00 2.00 0.00 0.00 34.13 33.52 2keo s GLU 71 CO 0.00 -0.02 1.63 0.34 -0.56 0.00 0.00 175.26 176.65 2keo s ASP 72 N -3.82 6.42 0.38 -1.70 2.15 -1.26 -4.92 116.67 113.92 2keo s ASP 72 Ca 0.45 2.86 0.09 0.00 0.43 0.00 0.00 52.55 56.38 2keo s ASP 72 Cb -0.10 -2.62 0.76 0.00 -0.30 0.00 0.00 42.92 40.67 2keo s ASP 72 CO 0.38 -0.91 1.90 1.55 -0.17 0.00 0.00 175.17 177.93 2keo h PRO 73 N 5.84 0.24 -0.05 4.34 0.13 -1.97 -0.84 132.00 139.70 2keo h PRO 73 Ca -0.45 -0.06 -0.10 0.00 -0.87 0.00 0.00 66.00 64.53 2keo h PRO 73 Cb 1.21 -0.03 0.01 0.00 0.13 0.00 0.00 31.00 32.31 2keo h PRO 73 CO 0.87 0.39 -0.35 0.28 -0.23 0.00 0.00 178.00 178.96 2keo h VAL 74 N 0.23 1.44 -0.90 1.56 2.07 -1.97 -1.46 116.25 117.22 2keo h VAL 74 Ca 0.05 -1.80 -0.01 0.00 0.82 0.00 0.00 66.70 65.76 2keo h VAL 74 Cb 0.39 2.41 -0.04 0.00 -1.52 0.00 0.00 31.29 32.54 2keo h VAL 74 CO 0.02 0.51 0.53 0.58 0.02 0.00 0.00 177.57 179.24 2keo h VAL 75 N -0.19 1.25 -0.75 2.57 2.07 -1.93 -0.54 116.25 118.74 2keo h VAL 75 Ca -0.03 -0.58 -0.06 0.00 0.82 0.00 0.00 66.70 66.85 2keo h VAL 75 Cb 1.02 -0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 2keo h VAL 75 CO 0.07 0.27 0.24 0.00 0.02 0.00 0.00 177.57 178.17 2keo h ALA 76 N 1.29 0.98 -0.21 1.67 0.00 -1.17 -1.69 119.26 120.14 2keo h ALA 76 Ca 0.32 -0.23 -0.18 0.00 0.00 0.00 0.00 54.91 54.82 2keo h ALA 76 Cb -0.02 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 2keo h ALA 76 CO -0.06 0.67 -0.60 1.25 0.00 0.00 0.00 179.25 180.51 2keo h LEU 77 N 1.12 0.78 -0.41 0.00 5.85 -0.78 -0.92 115.31 120.94 2keo h LEU 77 Ca 0.24 -0.44 -0.04 0.00 0.84 0.00 0.00 57.88 58.49 2keo h LEU 77 Cb 0.31 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 2keo h LEU 77 CO -0.01 1.20 0.12 -0.33 -0.34 0.00 0.00 178.44 179.08 2keo h GLU 78 N 0.51 0.65 -0.28 1.25 5.08 -1.00 -1.96 114.58 118.84 2keo h GLU 78 Ca -0.00 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.17 2keo h GLU 78 Cb 1.19 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 2keo h GLU 78 CO 0.12 0.65 -0.01 0.00 -1.00 0.00 0.00 179.01 178.77 2keo h ALA 79 N 0.97 1.47 -0.42 3.43 0.00 -1.27 -3.01 119.26 120.42 2keo h ALA 79 Ca 0.13 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 2keo h ALA 79 Cb 0.28 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2keo h ALA 79 CO -0.00 0.38 -0.14 0.00 0.00 0.00 0.00 179.25 179.49 2keo h ALA 80 N 1.59 0.59 0.00 0.00 0.00 -0.74 -2.85 119.26 117.84 2keo h ALA 80 Ca 0.09 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 2keo h ALA 80 Cb 0.29 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2keo h ALA 80 CO 0.01 0.50 -0.13 -0.07 0.00 0.00 0.00 179.25 179.56 2keo h LEU 81 N 0.67 0.00 -0.01 0.00 -0.00 -1.24 -2.22 115.31 112.50 2keo h LEU 81 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.98 2keo h LEU 81 Cb 0.69 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.35 2keo h LEU 81 CO 0.05 0.13 -0.13 0.00 -0.00 0.00 0.00 178.44 178.49 2keo n GLN 82 N -3.41 0.06 -4.38 1.13 6.02 -1.09 -4.75 117.38 110.97 2keo n GLN 82 Ca -0.01 -0.01 -0.28 0.00 -0.01 0.00 0.00 57.00 56.69 2keo n GLN 82 Cb 0.32 -1.50 -0.17 0.00 1.02 0.00 0.00 30.24 29.91 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 -2.95 1.90 0.23 1.08 5.36 -0.98 -5.06 117.98 117.56 2keo s PHE 83 Ca 0.15 -0.90 -0.07 0.00 -0.96 0.00 0.00 56.93 55.15 2keo s PHE 83 Cb 0.19 -1.39 0.27 0.00 -0.34 0.00 0.00 43.02 41.75 2keo s PHE 83 CO 0.57 -0.48 1.86 1.05 -1.46 0.00 0.00 175.22 176.76 2keo h GLU 84 N 7.50 0.96 -0.54 10.12 4.11 -1.85 -0.32 114.58 134.57 2keo h GLU 84 Ca -0.32 -0.06 -0.01 0.00 0.07 0.00 0.00 59.36 59.04 2keo h GLU 84 Cb 1.17 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 30.17 2keo h GLU 84 CO 0.48 0.64 0.27 -0.44 0.07 0.00 0.00 179.01 180.03 2keo h ASP 85 N 0.99 0.67 0.04 3.06 5.19 -1.97 -2.91 116.42 121.48 2keo h ASP 85 Ca 0.34 -0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.70 2keo h ASP 85 Cb 0.07 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.41 2keo h ASP 85 CO -0.14 0.56 -0.55 0.35 -3.12 0.00 0.00 179.24 176.34 2keo n THR 86 N -4.38 0.00 0.03 0.35 -2.24 -0.72 -4.26 114.28 103.05 2keo n THR 86 Ca 0.05 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 2keo n THR 86 Cb 0.11 1.05 -0.08 0.00 -2.10 0.00 0.00 70.33 69.31 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 -0.44 0.62 0.18 -0.78 1.85 -0.21 -4.26 116.66 113.61 2keo n ARG 87 Ca 0.08 0.21 0.06 0.00 -1.00 0.00 0.00 57.85 57.20 2keo n ARG 87 Cb 0.42 -1.80 0.23 0.00 -1.05 0.00 0.00 32.46 30.26 2keo n ARG 87 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 2keo h GLU 88 N 0.00 0.00 0.00 2.89 4.39 -1.73 -2.04 114.58 118.10 2keo h GLU 88 Ca -0.17 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.48 2keo h GLU 88 Cb 1.58 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.22 2keo h GLU 88 CO 0.04 0.38 -0.23 1.03 -1.16 0.00 0.00 179.01 179.07 2keo h SER 89 N 0.00 0.00 0.70 1.42 0.87 -1.80 -3.06 113.55 111.68 2keo h SER 89 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2keo h SER 89 Cb 1.08 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 2keo h SER 89 CO 0.05 0.23 0.00 0.23 -0.53 0.00 0.00 176.83 176.81 2keo n MET 90 N -3.39 0.08 0.19 2.24 2.81 -0.77 -1.44 117.12 116.84 2keo n MET 90 Ca 0.00 0.10 0.14 0.00 -1.81 0.00 0.00 57.70 56.13 2keo n MET 90 Cb 0.44 -1.50 0.57 0.00 -0.71 0.00 0.00 33.22 32.02 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 0.11 2.03 -0.00 -1.59 -0.58 115.15 115.12 2keo h HIS 91 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 60.37 60.03 2keo h HIS 91 Cb 0.35 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.74 2keo h HIS 91 CO 0.00 0.00 -1.84 0.00 -0.00 0.00 0.00 177.93 176.09 2keo h ALA 92 N 2.16 0.44 0.00 2.45 0.00 -1.45 -3.39 119.26 119.48 2keo h ALA 92 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 54.91 53.58 2keo h ALA 92 Cb 0.43 0.57 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2keo h ALA 92 CO 0.00 1.30 -0.06 1.19 0.00 0.00 0.00 179.25 181.69 2keo n PHE 93 N -3.41 0.79 -2.04 0.00 3.72 -1.05 -4.76 117.46 110.72 2keo n PHE 93 Ca -0.26 0.23 -0.39 0.00 -0.05 0.00 0.00 57.45 56.98 2keo n PHE 93 Cb 1.05 -0.87 -0.03 0.00 -0.94 0.00 0.00 39.48 38.70 2keo n PHE 93 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2keo h VAL 95 N 6.87 0.00 0.00 0.00 -1.51 -1.45 -3.49 116.25 116.68 2keo h VAL 95 Ca -0.27 -0.45 0.00 0.00 -1.23 0.00 0.00 66.70 64.74 2keo h VAL 95 Cb 1.16 1.39 0.00 0.00 -2.13 0.00 0.00 31.29 31.71 2keo h VAL 95 CO 1.18 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 178.13 2keo n GLY 96 N 0.98 -1.50 3.92 5.19 0.00 -1.15 -4.98 105.19 107.66 2keo n GLY 96 Ca 0.05 -1.07 -0.31 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.30 3.47 0.36 1.61 0.74 -0.47 -1.38 119.66 122.68 2keo s GLN 97 Ca 0.00 -0.40 -0.13 0.00 0.05 0.00 0.00 55.36 54.88 2keo s GLN 97 Cb 0.00 -3.00 -0.08 0.00 1.10 0.00 0.00 33.01 31.03 2keo s GLN 97 CO 0.00 0.58 0.74 -0.47 -0.55 0.00 0.00 175.29 175.59 2keo s TYR 98 N -1.55 3.42 -0.12 1.67 5.04 -0.68 -1.12 117.35 124.01 2keo s TYR 98 Ca 0.36 1.12 -0.05 0.00 -2.44 0.00 0.00 57.07 56.06 2keo s TYR 98 Cb -0.13 -2.48 0.06 0.00 0.35 0.00 0.00 41.96 39.77 2keo s TYR 98 CO 0.28 0.01 0.26 -1.17 -1.34 0.00 0.00 175.55 173.58 2keo s LEU 99 N -3.37 -0.20 0.07 6.97 1.98 -0.49 -4.77 118.68 118.88 2keo s LEU 99 Ca 0.52 0.57 -0.31 0.00 -2.89 0.00 0.00 54.13 52.03 2keo s LEU 99 Cb -0.10 0.68 -0.06 0.00 0.66 0.00 0.00 46.19 47.37 2keo s LEU 99 CO 0.24 -0.23 1.31 -1.61 -1.89 0.00 0.00 176.35 174.17 2keo s GLU 100 N 2.26 4.36 0.48 1.98 2.02 -1.26 -3.97 118.70 124.56 2keo s GLU 100 Ca -0.00 1.93 0.23 0.00 0.02 0.00 0.00 54.97 57.15 2keo s GLU 100 Cb -0.12 -3.35 1.26 0.00 0.10 0.00 0.00 34.13 32.02 2keo s GLU 100 CO -0.08 -0.39 1.91 -1.00 0.02 0.00 0.00 175.26 175.71 2keo h PRO 101 N 7.00 0.19 0.01 0.39 0.13 -1.96 -0.64 132.00 137.13 2keo h PRO 101 Ca -0.41 -0.01 -0.20 0.00 -0.87 0.00 0.00 66.00 64.51 2keo h PRO 101 Cb 1.20 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 2keo h PRO 101 CO 0.85 0.13 -0.90 0.22 -0.23 0.00 0.00 178.00 178.07 2keo h ASP 102 N 0.20 0.23 0.07 1.44 3.58 -2.04 -3.22 116.42 116.68 2keo h ASP 102 Ca 0.38 -0.19 -0.04 0.00 0.42 0.00 0.00 57.03 57.60 2keo h ASP 102 Cb 1.21 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 42.18 2keo h ASP 102 CO -0.08 1.01 -0.12 -0.61 -2.88 0.00 0.00 179.24 176.57 2keo h GLN 103 N 0.09 0.13 -6.01 0.28 5.75 -1.51 -3.34 115.11 110.49 2keo h GLN 103 Ca -0.04 -0.02 -0.48 0.00 -0.15 0.00 0.00 58.65 57.95 2keo h GLN 103 Cb 1.55 -0.02 -0.05 0.00 1.07 0.00 0.00 27.48 30.03 2keo h GLN 103 CO 0.14 0.26 1.23 -2.00 -2.65 0.00 0.00 178.83 175.81 2keo s GLU 104 N -4.75 2.74 0.00 1.69 2.56 -1.03 -4.85 118.70 115.06 2keo s GLU 104 Ca -0.05 0.30 0.00 0.00 0.00 0.00 0.00 54.97 55.22 2keo s GLU 104 Cb 0.16 -4.47 0.00 0.00 2.00 0.00 0.00 34.13 31.82 2keo s GLU 104 CO 0.71 -2.70 0.00 0.41 -0.56 0.00 0.00 175.26 173.12 2keo n GLY 105 N 5.83 0.83 3.78 -1.50 0.00 -1.26 -4.98 105.19 107.89 2keo n GLY 105 Ca 0.20 -0.82 -0.36 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.24 3.42 -0.19 1.61 0.11 -1.26 -5.06 120.40 116.79 2keo s VAL 106 Ca 0.00 1.01 -0.07 0.00 -2.93 0.00 0.00 61.98 59.99 2keo s VAL 106 Cb 0.00 -3.48 -0.04 0.00 -1.53 0.00 0.00 36.38 31.33 2keo s VAL 106 CO 0.00 -0.08 0.05 0.28 -3.33 0.00 0.00 175.10 172.03 2keo s THR 107 N -1.70 4.64 -0.23 5.04 -1.32 -1.26 -5.10 115.64 115.70 2keo s THR 107 Ca 0.64 -0.08 -0.23 0.00 -1.21 0.00 0.00 61.69 60.81 2keo s THR 107 Cb -0.23 -3.10 -0.01 0.00 -1.51 0.00 0.00 72.50 67.65 2keo s THR 107 CO 0.28 0.45 0.75 -0.63 -2.21 0.00 0.00 174.62 173.26 2keo s ILE 108 N 0.54 4.91 -0.43 5.08 1.01 -1.26 -5.01 121.20 126.03 2keo s ILE 108 Ca 0.03 1.40 -0.27 0.00 0.00 0.00 0.00 60.65 61.81 2keo s ILE 108 Cb -0.13 -4.04 -0.06 0.00 0.01 0.00 0.00 42.46 38.24 2keo s ILE 108 CO 0.01 -0.01 2.26 -2.84 0.00 0.00 0.00 174.94 174.35 2keo s PRO 109 N 2.58 2.49 -1.06 2.79 0.02 -1.26 -4.91 135.00 135.65 2keo s PRO 109 Ca 0.32 1.46 -0.22 0.00 0.02 0.00 0.00 61.00 62.58 2keo s PRO 109 Cb -0.15 -4.48 0.01 0.00 0.02 0.00 0.00 34.50 29.89 2keo s PRO 109 CO 0.08 -2.84 1.71 0.34 -0.33 0.00 0.00 177.00 175.97 2keo s ASP 110 N 10.36 5.98 0.13 2.53 2.15 -1.26 -4.77 116.67 131.79 2keo s ASP 110 Ca 0.93 -1.45 -0.08 0.00 0.43 0.00 0.00 52.55 52.39 2keo s ASP 110 Cb -0.21 -2.57 -0.08 0.00 -0.30 0.00 0.00 42.92 39.76 2keo s ASP 110 CO 0.28 -2.01 1.34 0.25 -0.17 0.00 0.00 175.17 174.86 2keo h LEU 111 N 14.87 0.73 0.00 -1.34 6.46 -2.06 -3.58 115.31 130.39 2keo h LEU 111 Ca 0.22 -0.50 0.00 0.00 -0.12 0.00 0.00 57.88 57.48 2keo h LEU 111 Cb 0.97 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 40.69 2keo h LEU 111 CO 1.35 1.28 0.00 0.61 -0.62 0.00 0.00 178.44 181.06