#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 3.46 -0.34 5.31 0.00 -1.26 -5.03 119.74 121.88 2keo s LYS 22 Ca 0.00 1.53 -0.14 0.00 0.00 0.00 0.00 55.97 57.36 2keo s LYS 22 Cb 0.00 -2.03 -0.02 0.00 0.00 0.00 0.00 37.83 35.79 2keo s LYS 22 CO 0.00 -0.75 0.28 0.54 0.00 0.00 0.00 175.35 175.43 2keo s VAL 23 N -1.86 5.25 -0.44 1.79 0.11 -1.26 -5.05 120.40 118.94 2keo s VAL 23 Ca 0.71 -0.13 -0.28 0.00 -2.93 0.00 0.00 61.98 59.35 2keo s VAL 23 Cb -0.22 -3.75 -0.00 0.00 -1.53 0.00 0.00 36.38 30.88 2keo s VAL 23 CO 0.26 -0.04 1.57 -0.89 -3.33 0.00 0.00 175.10 172.67 2keo s THR 24 N 1.83 3.70 -0.43 5.04 2.01 -1.26 -4.91 115.64 121.60 2keo s THR 24 Ca 0.08 0.67 -0.24 0.00 0.31 0.00 0.00 61.69 62.51 2keo s THR 24 Cb -0.17 -4.07 0.02 0.00 0.01 0.00 0.00 72.50 68.30 2keo s THR 24 CO 0.11 -0.76 0.84 -0.76 -0.69 0.00 0.00 174.62 173.36 2keo s LEU 25 N 6.36 4.13 -0.36 4.42 1.43 -1.26 -0.73 118.68 132.67 2keo s LEU 25 Ca 0.65 0.09 -0.20 0.00 -1.03 0.00 0.00 54.13 53.64 2keo s LEU 25 Cb -0.15 -3.07 0.00 0.00 0.03 0.00 0.00 46.19 43.00 2keo s LEU 25 CO 0.30 -0.93 0.63 -0.69 0.23 0.00 0.00 176.35 175.89 2keo s VAL 26 N 3.43 4.89 0.72 -1.59 1.01 -0.15 -4.92 120.40 123.80 2keo s VAL 26 Ca 0.33 0.51 -0.12 0.00 0.00 0.00 0.00 61.98 62.70 2keo s VAL 26 Cb -0.12 -4.08 0.03 0.00 0.00 0.00 0.00 36.38 32.21 2keo s VAL 26 CO 0.23 -0.34 1.09 0.00 0.00 0.00 0.00 175.10 176.08 2keo s ARG 27 N 2.70 2.58 0.21 2.72 1.70 -1.26 -1.54 118.95 126.05 2keo s ARG 27 Ca 0.24 1.22 -0.09 0.00 -0.47 0.00 0.00 55.73 56.62 2keo s ARG 27 Cb -0.14 -1.93 0.26 0.00 -0.57 0.00 0.00 34.95 32.56 2keo s ARG 27 CO 0.15 -1.40 1.78 0.97 -1.08 0.00 0.00 175.30 175.72 2keo h ILE 28 N -0.61 0.89 -0.28 4.99 2.10 -1.95 -1.94 117.51 120.71 2keo h ILE 28 Ca -0.45 -0.20 -0.03 0.00 1.08 0.00 0.00 64.86 65.26 2keo h ILE 28 Cb 1.23 0.27 -0.02 0.00 -1.09 0.00 0.00 36.82 37.22 2keo h ILE 28 CO 0.53 0.10 0.03 0.00 -1.08 0.00 0.00 178.15 177.73 2keo h ALA 29 N 1.37 1.52 -0.08 0.18 0.00 -1.93 -0.89 119.26 119.44 2keo h ALA 29 Ca 0.30 -0.15 -0.22 0.00 0.00 0.00 0.00 54.91 54.84 2keo h ALA 29 Cb 0.27 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.95 2keo h ALA 29 CO -0.23 0.35 -0.83 0.22 0.00 0.00 0.00 179.25 178.76 2keo h ASP 30 N 0.41 0.86 0.32 0.00 3.58 -1.80 -2.30 116.42 117.49 2keo h ASP 30 Ca 0.09 -0.68 -0.02 0.00 0.42 0.00 0.00 57.03 56.85 2keo h ASP 30 Cb 0.23 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.02 2keo h ASP 30 CO 0.00 1.42 -0.15 0.25 -2.88 0.00 0.00 179.24 177.88 2keo h LEU 31 N 0.38 -0.36 0.12 2.28 5.85 -0.93 -1.79 115.31 120.86 2keo h LEU 31 Ca -0.08 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.63 2keo h LEU 31 Cb 1.47 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.59 2keo h LEU 31 CO 0.17 -0.23 -0.10 -0.33 -0.34 0.00 0.00 178.44 177.61 2keo h GLU 32 N -0.47 -0.23 -0.42 1.25 4.39 -1.24 -1.23 114.58 116.63 2keo h GLU 32 Ca -0.04 0.02 -0.12 0.00 0.34 0.00 0.00 59.36 59.55 2keo h GLU 32 Cb 0.36 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 2keo h GLU 32 CO 0.07 -0.16 -0.22 -0.91 -1.16 0.00 0.00 179.01 176.63 2keo h ASN 33 N -0.24 0.92 -0.19 1.42 2.35 -1.46 -1.79 115.58 116.58 2keo h ASN 33 Ca -0.00 -0.41 -0.14 0.00 -0.55 0.00 0.00 56.30 55.20 2keo h ASN 33 Cb 0.22 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.34 2keo h ASN 33 CO -0.02 1.13 -0.44 -0.74 -1.65 0.00 0.00 177.43 175.72 2keo h HIS 34 N 0.72 0.82 0.09 1.19 2.76 -1.31 -2.81 115.15 116.61 2keo h HIS 34 Ca 0.09 -0.31 -0.00 0.00 -2.20 0.00 0.00 60.37 57.95 2keo h HIS 34 Cb 0.79 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.61 2keo h HIS 34 CO 0.06 1.07 -0.04 -0.97 -1.30 0.00 0.00 177.93 176.75 2keo h ASN 35 N 0.32 -0.11 0.00 3.26 -1.24 -1.20 -2.91 115.58 113.71 2keo h ASN 35 Ca 0.00 -0.18 0.00 0.00 0.71 0.00 0.00 56.30 56.83 2keo h ASN 35 Cb 1.05 0.03 0.00 0.00 0.73 0.00 0.00 38.32 40.12 2keo h ASN 35 CO 0.10 0.12 0.00 0.59 -1.29 0.00 0.00 177.43 176.94 2keo n ASN 36 N -5.05 0.00 -0.09 1.15 4.13 -0.68 -2.47 115.26 112.26 2keo n ASN 36 Ca -0.08 -1.55 0.12 0.00 1.68 0.00 0.00 54.58 54.74 2keo n ASN 36 Cb 0.16 0.00 0.24 0.00 -1.54 0.00 0.00 39.78 38.64 2keo n ASN 36 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 2keo n ASP 37 N -0.70 0.75 0.00 6.41 2.03 -1.06 -4.95 116.55 119.04 2keo n ASP 37 Ca 0.09 -0.55 0.00 0.00 0.52 0.00 0.00 54.79 54.85 2keo n ASP 37 Cb 0.04 0.30 0.00 0.00 -0.72 0.00 0.00 41.12 40.74 2keo n ASP 37 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2keo n GLY 38 N 1.45 1.98 3.43 0.27 0.00 -1.03 -5.01 105.19 106.28 2keo n GLY 38 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 2keo n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2keo n GLY 39 N -0.32 2.25 3.65 -0.02 0.00 -1.14 -4.91 105.19 104.70 2keo n GLY 39 Ca 0.00 -1.18 -0.43 0.00 0.00 0.00 0.00 46.02 44.41 2keo n GLY 39 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2keo s PHE 40 N 6.60 2.53 0.44 1.61 2.19 -1.25 -3.27 117.98 126.82 2keo s PHE 40 Ca 0.59 0.75 0.07 0.00 0.33 0.00 0.00 56.93 58.67 2keo s PHE 40 Cb 0.05 -3.75 -0.02 0.00 -1.31 0.00 0.00 43.02 37.98 2keo s PHE 40 CO 0.08 -2.29 0.31 -1.58 1.83 0.00 0.00 175.22 173.57 2keo s TRP 41 N 4.11 2.42 -0.01 10.12 0.51 -1.26 -0.92 118.94 133.91 2keo s TRP 41 Ca 0.61 -0.61 -0.12 0.00 -2.12 0.00 0.00 56.10 53.87 2keo s TRP 41 Cb -0.23 -2.03 0.01 0.00 -0.81 0.00 0.00 33.47 30.41 2keo s TRP 41 CO 0.22 -0.08 0.24 -0.08 -0.51 0.00 0.00 176.95 176.73 2keo s THR 42 N -2.59 0.07 -0.33 2.01 -1.32 -0.62 -4.80 115.64 108.05 2keo s THR 42 Ca 0.42 -0.54 -0.06 0.00 -1.21 0.00 0.00 61.69 60.30 2keo s THR 42 Cb -0.00 -0.53 0.04 0.00 -1.51 0.00 0.00 72.50 70.50 2keo s THR 42 CO 0.24 -0.30 0.10 0.54 -2.21 0.00 0.00 174.62 172.99 2keo s VAL 43 N -1.28 3.72 -0.12 5.08 0.11 -1.26 -1.39 120.40 125.26 2keo s VAL 43 Ca -0.13 -1.15 0.01 0.00 -2.93 0.00 0.00 61.98 57.78 2keo s VAL 43 Cb -0.06 -3.11 0.02 0.00 -1.53 0.00 0.00 36.38 31.70 2keo s VAL 43 CO 0.03 -0.17 -0.15 -0.63 -3.33 0.00 0.00 175.10 170.85 2keo s ILE 44 N 1.39 1.55 -1.42 7.04 1.01 0.05 -4.79 121.20 126.03 2keo s ILE 44 Ca -0.02 -0.66 -0.02 0.00 0.00 0.00 0.00 60.65 59.95 2keo s ILE 44 Cb -0.19 -1.42 0.00 0.00 0.01 0.00 0.00 42.46 40.86 2keo s ILE 44 CO 0.03 0.45 0.29 -0.67 0.00 0.00 0.00 174.94 175.04 2keo n ASP 45 N 4.34 -5.37 0.00 3.58 2.03 -1.26 -1.78 116.55 118.09 2keo n ASP 45 Ca -0.18 -0.15 0.00 0.00 0.52 0.00 0.00 54.79 54.98 2keo n ASP 45 Cb 0.51 -4.31 0.00 0.00 -0.72 0.00 0.00 41.12 36.60 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 -1.24 0.85 3.64 0.27 0.00 -1.26 -5.03 105.19 102.42 2keo n GLY 46 Ca -0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.04 2.48 -0.21 1.61 -0.14 -0.73 -0.90 119.74 121.81 2keo s LYS 47 Ca 0.00 -0.82 -0.09 0.00 -1.36 0.00 0.00 55.97 53.70 2keo s LYS 47 Cb 0.00 -2.49 -0.04 0.00 -1.68 0.00 0.00 37.83 33.62 2keo s LYS 47 CO 0.00 0.56 0.10 0.08 -0.76 0.00 0.00 175.35 175.33 2keo s VAL 48 N -1.18 4.98 0.38 3.17 1.01 -0.08 -0.77 120.40 127.92 2keo s VAL 48 Ca 0.22 0.04 0.07 0.00 0.00 0.00 0.00 61.98 62.30 2keo s VAL 48 Cb -0.11 -3.28 -0.07 0.00 0.00 0.00 0.00 36.38 32.91 2keo s VAL 48 CO 0.13 0.41 0.01 -0.31 0.00 0.00 0.00 175.10 175.35 2keo s TYR 49 N 0.67 2.38 0.29 5.22 1.51 -0.48 -1.63 117.35 125.31 2keo s TYR 49 Ca 0.05 -0.72 -0.01 0.00 -1.01 0.00 0.00 57.07 55.38 2keo s TYR 49 Cb -0.13 -1.63 -0.04 0.00 -0.11 0.00 0.00 41.96 40.05 2keo s TYR 49 CO 0.01 0.36 0.50 0.16 -1.11 0.00 0.00 175.55 175.48 2keo s ASP 50 N -3.65 6.36 0.00 2.29 1.47 -0.84 -1.59 116.67 120.71 2keo s ASP 50 Ca 0.35 0.50 0.00 0.00 1.18 0.00 0.00 52.55 54.58 2keo s ASP 50 Cb 0.09 -2.05 0.00 0.00 -0.34 0.00 0.00 42.92 40.62 2keo s ASP 50 CO 0.17 -0.19 0.00 -0.38 0.68 0.00 0.00 175.17 175.45 2keo n ILE 51 N -1.24 0.00 0.23 2.11 2.08 -0.09 -4.53 119.36 117.92 2keo n ILE 51 Ca -0.04 0.00 -0.16 0.00 0.56 0.00 0.00 62.75 63.11 2keo n ILE 51 Cb 0.55 -0.95 -0.08 0.00 -0.75 0.00 0.00 39.64 38.41 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 -0.79 -0.07 0.38 3.64 -1.76 -1.15 116.57 116.82 2keo h LYS 52 Ca 0.00 0.05 -0.21 0.00 -1.27 0.00 0.00 60.65 59.23 2keo h LYS 52 Cb 0.95 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 2keo h LYS 52 CO 0.00 -0.53 -0.81 0.22 -2.27 0.00 0.00 179.45 176.06 2keo h ASP 53 N -0.82 0.60 -0.04 4.20 3.58 -1.88 -3.12 116.42 118.94 2keo h ASP 53 Ca -0.03 -0.42 0.04 0.00 0.42 0.00 0.00 57.03 57.04 2keo h ASP 53 Cb 0.75 -0.18 -0.06 0.00 1.72 0.00 0.00 39.33 41.56 2keo h ASP 53 CO -0.10 1.19 -0.36 0.15 -2.88 0.00 0.00 179.24 177.24 2keo h PHE 54 N 0.32 -1.00 0.00 0.28 3.04 -1.77 -0.90 116.94 116.91 2keo h PHE 54 Ca -0.05 0.04 -0.06 0.00 3.98 0.00 0.00 57.97 61.87 2keo h PHE 54 Cb 1.42 0.44 -0.01 0.00 2.56 0.00 0.00 35.95 40.37 2keo h PHE 54 CO 0.06 -0.44 -0.28 -0.56 -2.02 0.00 0.00 178.31 175.06 2keo h GLN 55 N -0.49 0.00 -0.15 1.11 3.07 -1.29 -0.78 115.11 116.57 2keo h GLN 55 Ca 0.07 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.78 2keo h GLN 55 Cb 0.59 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.15 2keo h GLN 55 CO -0.31 0.28 -0.02 1.15 0.09 0.00 0.00 178.83 180.03 2keo h THR 56 N 0.00 1.27 0.00 1.86 2.02 -1.39 -3.27 112.91 113.40 2keo h THR 56 Ca -0.00 -0.91 0.00 0.00 0.77 0.00 0.00 66.41 66.27 2keo h THR 56 Cb 0.63 1.57 0.00 0.00 -1.74 0.00 0.00 68.15 68.61 2keo h THR 56 CO 0.04 0.27 0.00 0.00 0.37 0.00 0.00 175.52 176.19 2keo n GLN 57 N -4.73 0.19 0.29 6.66 1.13 -0.38 -3.47 117.38 117.07 2keo n GLN 57 Ca -0.05 0.24 0.18 0.00 -1.94 0.00 0.00 57.00 55.43 2keo n GLN 57 Cb 0.24 -1.75 0.80 0.00 0.11 0.00 0.00 30.24 29.63 2keo n GLN 57 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 2keo h SER 58 N 0.00 0.00 -0.01 1.08 4.64 -1.21 -2.32 113.55 115.73 2keo h SER 58 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2keo h SER 58 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 2keo h SER 58 CO 0.00 0.01 -0.01 0.18 -0.87 0.00 0.00 176.83 176.14 2keo n LEU 59 N -3.10 1.70 -4.69 5.97 7.99 -1.23 -3.37 117.00 120.27 2keo n LEU 59 Ca -0.00 -0.57 -0.42 0.00 -0.01 0.00 0.00 56.01 55.01 2keo n LEU 59 Cb 0.26 -0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.53 2keo n LEU 59 CO 0.26 0.28 0.93 -0.89 -1.51 0.00 0.00 177.39 176.47 2keo s THR 60 N -2.02 4.22 0.14 -5.08 2.01 -0.87 -4.95 115.64 109.09 2keo s THR 60 Ca 0.36 1.56 -0.18 0.00 0.31 0.00 0.00 61.69 63.74 2keo s THR 60 Cb 0.21 -4.00 -0.01 0.00 0.01 0.00 0.00 72.50 68.70 2keo s THR 60 CO 0.34 0.03 1.74 -0.08 -0.69 0.00 0.00 174.62 175.96 2keo h GLU 61 N 7.31 0.18 0.00 4.92 4.57 -1.89 -2.66 114.58 127.02 2keo h GLU 61 Ca -0.36 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.81 2keo h GLU 61 Cb 1.17 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.72 2keo h GLU 61 CO 0.86 0.12 -0.16 -1.71 -1.18 0.00 0.00 179.01 176.95 2keo n ASN 62 N -5.06 0.44 -4.76 1.04 2.85 -1.26 -4.76 115.26 103.75 2keo n ASN 62 Ca -0.01 0.37 -0.35 0.00 -0.11 0.00 0.00 54.58 54.48 2keo n ASN 62 Cb 0.11 -0.40 0.03 0.00 1.24 0.00 0.00 39.78 40.76 2keo n ASN 62 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 2keo s SER 63 N -3.68 5.28 0.60 1.20 0.01 -1.00 -4.93 113.70 111.18 2keo s SER 63 Ca 0.11 2.23 0.34 0.00 1.31 0.00 0.00 55.95 59.94 2keo s SER 63 Cb 0.16 -2.58 1.93 0.00 0.21 0.00 0.00 66.02 65.73 2keo s SER 63 CO 0.60 -1.52 2.25 0.16 0.41 0.00 0.00 173.24 175.14 2keo h ILE 64 N 0.72 0.38 -0.01 1.44 3.07 -1.90 -2.53 117.51 118.67 2keo h ILE 64 Ca -0.49 -0.10 0.00 0.00 1.55 0.00 0.00 64.86 65.82 2keo h ILE 64 Cb 1.27 1.07 0.00 0.00 -0.27 0.00 0.00 36.82 38.89 2keo h ILE 64 CO 0.55 0.02 0.00 0.18 -1.05 0.00 0.00 178.15 177.85 2keo n LEU 65 N -3.59 0.92 0.07 0.16 4.77 -1.26 -3.90 117.00 114.18 2keo n LEU 65 Ca -0.03 -0.31 -0.04 0.00 -0.03 0.00 0.00 56.01 55.60 2keo n LEU 65 Cb 0.11 -0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.37 2keo n LEU 65 CO 0.26 0.16 0.59 0.00 -1.33 0.00 0.00 177.39 177.06 2keo h ALA 66 N 4.20 0.98 0.00 -1.18 0.00 -1.46 0.13 119.26 121.93 2keo h ALA 66 Ca 0.00 -0.45 -0.09 0.00 0.00 0.00 0.00 54.91 54.37 2keo h ALA 66 Cb 0.30 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2keo h ALA 66 CO 0.00 0.64 -0.41 -0.56 0.00 0.00 0.00 179.25 178.92 2keo h GLN 67 N 0.25 0.00 -0.24 0.00 3.07 -1.80 -3.13 115.11 113.25 2keo h GLN 67 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.76 2keo h GLN 67 Cb 0.92 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.48 2keo h GLN 67 CO 0.08 0.41 0.00 1.19 0.09 0.00 0.00 178.83 180.59 2keo n PHE 68 N -3.41 0.30 0.20 0.06 3.72 -0.90 -4.33 117.46 113.09 2keo n PHE 68 Ca 0.00 -0.15 0.04 0.00 -0.05 0.00 0.00 57.45 57.30 2keo n PHE 68 Cb 0.58 0.00 0.43 0.00 -0.94 0.00 0.00 39.48 39.54 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 4.39 1.44 -0.36 4.37 0.00 -0.71 -2.19 119.26 126.20 2keo h ALA 69 Ca 0.00 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 2keo h ALA 69 Cb 0.80 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.49 2keo h ALA 69 CO 0.00 0.38 0.11 0.41 0.00 0.00 0.00 179.25 180.15 2keo n GLY 70 N -0.59 2.58 3.14 0.00 0.00 -1.26 -4.88 105.19 104.18 2keo n GLY 70 Ca -0.02 -0.50 -0.12 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.83 0.75 0.20 1.61 2.56 -0.82 -5.14 118.70 116.03 2keo s GLU 71 Ca 0.28 -1.12 -0.33 0.00 0.00 0.00 0.00 54.97 53.80 2keo s GLU 71 Cb 0.22 -0.32 -0.13 0.00 2.00 0.00 0.00 34.13 35.90 2keo s GLU 71 CO 0.07 0.03 1.59 -3.47 -0.56 0.00 0.00 175.26 172.92 2keo n ASP 72 N 0.55 3.35 -0.11 -1.70 2.03 -1.26 -4.83 116.55 114.58 2keo n ASP 72 Ca -0.16 1.09 0.14 0.00 0.52 0.00 0.00 54.79 56.38 2keo n ASP 72 Cb 0.58 -1.48 0.52 0.00 -0.72 0.00 0.00 41.12 40.02 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 5.75 0.37 -0.03 -0.67 0.13 -1.96 0.10 132.00 135.69 2keo h PRO 73 Ca -0.45 -0.02 -0.07 0.00 -0.87 0.00 0.00 66.00 64.59 2keo h PRO 73 Cb 1.24 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2keo h PRO 73 CO 0.87 0.24 -0.27 0.28 -0.23 0.00 0.00 178.00 178.90 2keo h VAL 74 N 0.38 1.49 -0.39 1.56 2.07 -1.96 -1.57 116.25 117.82 2keo h VAL 74 Ca 0.31 -1.82 -0.05 0.00 0.82 0.00 0.00 66.70 65.96 2keo h VAL 74 Cb 0.70 2.56 -0.02 0.00 -1.52 0.00 0.00 31.29 33.02 2keo h VAL 74 CO -0.09 0.51 0.02 0.58 0.02 0.00 0.00 177.57 178.61 2keo h VAL 75 N -0.36 1.21 -0.40 2.57 2.07 -1.84 -1.48 116.25 118.02 2keo h VAL 75 Ca -0.03 -0.82 -0.11 0.00 0.82 0.00 0.00 66.70 66.56 2keo h VAL 75 Cb 0.97 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 2keo h VAL 75 CO 0.05 0.29 -0.19 0.00 0.02 0.00 0.00 177.57 177.74 2keo h ALA 76 N 1.44 0.90 -0.36 1.67 0.00 -0.83 -1.22 119.26 120.86 2keo h ALA 76 Ca 0.13 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 2keo h ALA 76 Cb 0.34 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2keo h ALA 76 CO 0.01 0.62 -0.07 1.25 0.00 0.00 0.00 179.25 181.06 2keo h LEU 77 N 0.69 0.69 -0.91 0.00 5.85 -0.80 -0.58 115.31 120.25 2keo h LEU 77 Ca 0.10 -0.35 -0.07 0.00 0.84 0.00 0.00 57.88 58.40 2keo h LEU 77 Cb 0.69 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 2keo h LEU 77 CO 0.05 0.89 0.08 -0.33 -0.34 0.00 0.00 178.44 178.78 2keo h GLU 78 N 0.49 0.88 -0.10 1.25 5.08 -1.13 0.32 114.58 121.37 2keo h GLU 78 Ca 0.09 -0.21 -0.14 0.00 -1.00 0.00 0.00 59.36 58.10 2keo h GLU 78 Cb 0.57 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 2keo h GLU 78 CO 0.03 0.82 -0.56 0.00 -1.00 0.00 0.00 179.01 178.31 2keo h ALA 79 N 1.25 0.86 0.00 3.43 0.00 -1.18 -2.30 119.26 121.32 2keo h ALA 79 Ca 0.17 -0.51 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 2keo h ALA 79 Cb 0.38 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2keo h ALA 79 CO 0.01 0.70 -0.28 0.00 0.00 0.00 0.00 179.25 179.68 2keo h ALA 80 N 1.18 0.88 -0.23 0.00 0.00 -0.63 -1.52 119.26 118.94 2keo h ALA 80 Ca 0.00 -0.25 -0.20 0.00 0.00 0.00 0.00 54.91 54.45 2keo h ALA 80 Cb 1.05 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.81 2keo h ALA 80 CO 0.09 0.35 -0.66 -0.07 0.00 0.00 0.00 179.25 178.96 2keo h LEU 81 N 0.00 0.97 -0.32 0.00 3.38 -0.81 -1.96 115.31 116.58 2keo h LEU 81 Ca -0.00 -0.57 -0.10 0.00 0.09 0.00 0.00 57.88 57.29 2keo h LEU 81 Cb 1.04 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 2keo h LEU 81 CO 0.04 1.38 -0.19 -0.61 0.09 0.00 0.00 178.44 179.15 2keo h GLN 82 N 0.62 0.69 -6.08 1.13 4.15 -1.19 -3.44 115.11 111.00 2keo h GLN 82 Ca -0.02 -0.32 -0.57 0.00 0.77 0.00 0.00 58.65 58.52 2keo h GLN 82 Cb 1.28 -0.01 -0.06 0.00 0.21 0.00 0.00 27.48 28.90 2keo h GLN 82 CO 0.14 0.92 0.46 0.12 -1.93 0.00 0.00 178.83 178.54 2keo s PHE 83 N -4.56 3.46 0.43 3.99 5.36 -0.59 -4.94 117.98 121.13 2keo s PHE 83 Ca -0.13 1.40 0.19 0.00 -0.96 0.00 0.00 56.93 57.44 2keo s PHE 83 Cb 0.09 -3.08 1.16 0.00 -0.34 0.00 0.00 43.02 40.85 2keo s PHE 83 CO 0.82 -0.22 2.01 1.05 -1.46 0.00 0.00 175.22 177.42 2keo h GLU 84 N 7.21 0.00 -0.18 10.12 4.11 -1.86 -1.49 114.58 132.48 2keo h GLU 84 Ca -0.30 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 58.97 2keo h GLU 84 Cb 1.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 2keo h GLU 84 CO 0.84 0.17 -0.53 0.22 0.07 0.00 0.00 179.01 179.78 2keo h ASP 85 N 0.00 0.59 0.47 3.06 3.58 -1.92 -3.33 116.42 118.87 2keo h ASP 85 Ca -0.00 -0.31 -0.04 0.00 0.42 0.00 0.00 57.03 57.10 2keo h ASP 85 Cb 0.35 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.22 2keo h ASP 85 CO 0.02 1.01 -1.56 0.35 -2.88 0.00 0.00 179.24 176.18 2keo n THR 86 N -3.96 0.46 0.26 2.25 -2.24 -0.85 -4.34 114.28 105.86 2keo n THR 86 Ca -0.03 -0.56 0.12 0.00 -2.27 0.00 0.00 64.05 61.31 2keo n THR 86 Cb 0.59 -0.24 0.69 0.00 -2.10 0.00 0.00 70.33 69.27 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 -0.46 -0.78 0.11 -0.47 -2.46 114.38 110.32 2keo h ARG 87 Ca -0.05 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 59.94 2keo h ARG 87 Cb 1.14 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.20 2keo h ARG 87 CO 0.01 0.13 -0.08 1.05 0.10 0.00 0.00 179.97 181.18 2keo h GLU 88 N 0.00 0.82 0.00 0.08 4.11 -1.76 -2.92 114.58 114.91 2keo h GLU 88 Ca -0.00 -0.26 -0.07 0.00 0.07 0.00 0.00 59.36 59.09 2keo h GLU 88 Cb 0.40 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 2keo h GLU 88 CO 0.02 0.88 -0.35 1.03 0.07 0.00 0.00 179.01 180.65 2keo h SER 89 N 0.75 0.00 0.31 3.06 0.87 -1.72 -3.16 113.55 113.67 2keo h SER 89 Ca 0.13 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.69 2keo h SER 89 Cb 0.57 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.53 2keo h SER 89 CO 0.03 0.35 -0.01 0.24 -0.53 0.00 0.00 176.83 176.91 2keo h MET 90 N 0.00 0.00 -0.13 2.24 2.86 -1.44 -1.79 114.93 116.67 2keo h MET 90 Ca -0.00 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 2keo h MET 90 Cb 1.10 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.75 2keo h MET 90 CO 0.05 0.01 -0.15 0.45 1.06 0.00 0.00 176.91 178.33 2keo h HIS 91 N 0.00 0.22 -0.28 -0.22 3.86 -1.63 -0.03 115.15 117.07 2keo h HIS 91 Ca -0.00 -0.02 -0.09 0.00 -1.16 0.00 0.00 60.37 59.10 2keo h HIS 91 Cb 0.17 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.58 2keo h HIS 91 CO 0.00 0.36 -0.17 0.00 0.86 0.00 0.00 177.93 178.97 2keo h ALA 92 N 1.66 0.39 0.00 2.45 0.00 -1.54 -3.20 119.26 119.02 2keo h ALA 92 Ca 0.04 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 2keo h ALA 92 Cb 0.39 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2keo h ALA 92 CO 0.02 0.31 -0.25 0.74 0.00 0.00 0.00 179.25 180.07 2keo h PHE 93 N 0.34 0.00 -2.61 0.00 0.04 -1.51 -3.42 116.94 109.78 2keo h PHE 93 Ca 0.06 0.00 -0.54 0.00 2.80 0.00 0.00 57.97 60.29 2keo h PHE 93 Cb 0.71 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.80 2keo h PHE 93 CO 0.07 0.25 1.17 0.00 -0.60 0.00 0.00 178.31 179.20 2keo n VAL 95 N 6.97 0.00 -3.32 0.00 0.24 -0.65 -4.94 118.33 116.63 2keo n VAL 95 Ca 0.15 -0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.45 2keo n VAL 95 Cb 0.49 -0.45 0.00 0.00 -1.47 0.00 0.00 33.84 32.41 2keo n VAL 95 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2keo n GLY 96 N 1.47 -0.59 3.88 7.63 0.00 -1.16 -4.80 105.19 111.63 2keo n GLY 96 Ca 0.08 -1.30 -0.36 0.00 0.00 0.00 0.00 46.02 44.45 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 3.49 0.23 1.61 0.74 0.09 -0.90 119.66 122.92 2keo s GLN 97 Ca 0.00 -0.14 -0.30 0.00 0.05 0.00 0.00 55.36 54.98 2keo s GLN 97 Cb 0.00 -3.15 -0.09 0.00 1.10 0.00 0.00 33.01 30.88 2keo s GLN 97 CO 0.00 0.72 1.11 -0.47 -0.55 0.00 0.00 175.29 176.10 2keo s TYR 98 N -1.16 3.57 -0.07 1.67 5.04 -0.07 -0.97 117.35 125.35 2keo s TYR 98 Ca 0.21 1.63 -0.01 0.00 -2.44 0.00 0.00 57.07 56.46 2keo s TYR 98 Cb -0.13 -3.30 0.03 0.00 0.35 0.00 0.00 41.96 38.91 2keo s TYR 98 CO 0.11 -0.65 -0.00 -1.17 -1.34 0.00 0.00 175.55 172.49 2keo s LEU 99 N -0.89 0.62 0.35 6.97 1.98 -0.59 -4.85 118.68 122.27 2keo s LEU 99 Ca 0.47 -0.09 -0.23 0.00 -2.89 0.00 0.00 54.13 51.38 2keo s LEU 99 Cb -0.31 -0.46 -0.10 0.00 0.66 0.00 0.00 46.19 45.98 2keo s LEU 99 CO 0.38 -0.19 0.92 -1.61 -1.89 0.00 0.00 176.35 173.96 2keo s GLU 100 N 1.95 4.42 0.48 1.98 2.02 -1.26 -3.41 118.70 124.88 2keo s GLU 100 Ca 0.05 1.19 0.25 0.00 0.02 0.00 0.00 54.97 56.48 2keo s GLU 100 Cb -0.12 -2.61 1.19 0.00 0.10 0.00 0.00 34.13 32.70 2keo s GLU 100 CO -0.05 0.19 1.96 -1.00 0.02 0.00 0.00 175.26 176.38 2keo h PRO 101 N 2.78 0.00 0.00 0.39 0.13 -2.00 -1.50 132.00 131.80 2keo h PRO 101 Ca -0.48 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.45 2keo h PRO 101 Cb 1.19 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 2keo h PRO 101 CO 0.64 0.18 -1.14 0.22 -0.23 0.00 0.00 178.00 177.67 2keo h ASP 102 N 0.00 0.00 -0.29 1.44 3.58 -1.94 -3.10 116.42 116.11 2keo h ASP 102 Ca -0.00 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.36 2keo h ASP 102 Cb 0.52 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.55 2keo h ASP 102 CO 0.02 0.83 -0.11 -0.61 -2.88 0.00 0.00 179.24 176.50 2keo h GLN 103 N 0.00 0.71 0.07 0.28 5.75 -1.43 0.32 115.11 120.81 2keo h GLN 103 Ca -0.10 -0.23 -0.29 0.00 -0.15 0.00 0.00 58.65 57.88 2keo h GLN 103 Cb 1.73 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 30.19 2keo h GLN 103 CO 0.09 0.80 -1.55 1.49 -2.65 0.00 0.00 178.83 177.01 2keo h GLU 104 N 0.65 0.14 -0.33 1.69 4.81 -1.69 -3.26 114.58 116.60 2keo h GLU 104 Ca 0.11 -0.25 -0.02 0.00 -0.13 0.00 0.00 59.36 59.08 2keo h GLU 104 Cb 0.57 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.02 2keo h GLU 104 CO 0.04 0.93 0.11 0.78 -0.73 0.00 0.00 179.01 180.14 2keo h GLY 105 N 2.33 0.49 -5.60 1.92 0.00 -1.42 -3.41 103.07 97.37 2keo h GLY 105 Ca -0.24 -0.23 -0.09 0.00 0.00 0.00 0.00 47.33 46.77 2keo h GLY 105 CO 0.13 0.22 -0.27 0.54 0.00 0.00 0.00 176.54 177.16 2keo s VAL 106 N -5.20 -0.15 0.04 4.60 0.11 0.08 -5.07 120.40 114.80 2keo s VAL 106 Ca -0.07 0.09 0.05 0.00 -2.93 0.00 0.00 61.98 59.12 2keo s VAL 106 Cb 0.16 -0.67 -0.02 0.00 -1.53 0.00 0.00 36.38 34.32 2keo s VAL 106 CO 0.74 0.04 -0.14 0.28 -3.33 0.00 0.00 175.10 172.69 2keo s THR 107 N 1.68 1.12 -0.28 5.04 -1.32 -1.23 -4.12 115.64 116.52 2keo s THR 107 Ca -0.08 -0.99 -0.25 0.00 -1.21 0.00 0.00 61.69 59.16 2keo s THR 107 Cb -0.09 -1.01 0.00 0.00 -1.51 0.00 0.00 72.50 69.89 2keo s THR 107 CO -0.14 0.01 0.86 -0.63 -2.21 0.00 0.00 174.62 172.51 2keo s ILE 108 N -0.84 4.76 -0.33 5.08 1.01 -1.26 -4.96 121.20 124.65 2keo s ILE 108 Ca 0.02 1.44 -0.06 0.00 0.00 0.00 0.00 60.65 62.05 2keo s ILE 108 Cb -0.08 -4.19 -0.13 0.00 0.01 0.00 0.00 42.46 38.08 2keo s ILE 108 CO 0.01 -0.22 3.24 -0.81 0.00 0.00 0.00 174.94 177.16 2keo n PRO 109 N 6.25 2.38 -2.05 2.79 -0.04 -1.26 -4.58 135.00 138.49 2keo n PRO 109 Ca 0.06 -1.65 -0.17 0.00 -0.04 0.00 0.00 63.50 61.70 2keo n PRO 109 Cb 0.48 -2.14 -0.03 0.00 -0.04 0.00 0.00 33.50 31.77 2keo n PRO 109 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2keo n ASP 110 N 2.01 -5.12 -0.06 3.54 2.03 -1.26 -4.92 116.55 112.78 2keo n ASP 110 Ca 0.49 0.14 -0.14 0.00 0.52 0.00 0.00 54.79 55.79 2keo n ASP 110 Cb 0.72 -4.18 -0.07 0.00 -0.72 0.00 0.00 41.12 36.86 2keo n ASP 110 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 2keo h LEU 111 N 0.00 0.58 0.00 -2.67 6.46 -1.98 -3.57 115.31 114.13 2keo h LEU 111 Ca -0.40 -0.55 0.00 0.00 -0.12 0.00 0.00 57.88 56.81 2keo h LEU 111 Cb 1.25 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 41.01 2keo h LEU 111 CO 0.50 1.03 0.00 0.61 -0.62 0.00 0.00 178.44 179.96