#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 3.21 -0.31 3.49 -0.14 -1.26 -5.00 119.74 119.73 2keo s LYS 22 Ca 0.00 -1.02 -0.29 0.00 -1.36 0.00 0.00 55.97 53.30 2keo s LYS 22 Cb 0.00 -4.38 -0.02 0.00 -1.68 0.00 0.00 37.83 31.75 2keo s LYS 22 CO 0.00 -1.81 1.74 0.54 -0.76 0.00 0.00 175.35 175.06 2keo s VAL 23 N 3.80 3.54 -0.41 3.17 0.11 -1.26 -4.95 120.40 124.40 2keo s VAL 23 Ca 0.24 0.56 -0.28 0.00 -2.93 0.00 0.00 61.98 59.57 2keo s VAL 23 Cb -0.15 -3.69 -0.01 0.00 -1.53 0.00 0.00 36.38 31.00 2keo s VAL 23 CO 0.06 -0.42 1.66 -0.89 -3.33 0.00 0.00 175.10 172.18 2keo s THR 24 N 6.48 3.61 -0.54 5.04 2.01 -1.26 -4.87 115.64 126.11 2keo s THR 24 Ca 0.77 0.59 -0.25 0.00 0.31 0.00 0.00 61.69 63.12 2keo s THR 24 Cb -0.22 -3.92 0.04 0.00 0.01 0.00 0.00 72.50 68.41 2keo s THR 24 CO 0.33 -0.65 0.96 -0.76 -0.69 0.00 0.00 174.62 173.81 2keo s LEU 25 N 6.68 4.04 -0.20 4.42 1.43 -1.26 -0.78 118.68 133.02 2keo s LEU 25 Ca 0.70 -0.24 -0.09 0.00 -1.03 0.00 0.00 54.13 53.48 2keo s LEU 25 Cb -0.17 -2.92 -0.04 0.00 0.03 0.00 0.00 46.19 43.08 2keo s LEU 25 CO 0.31 -1.22 0.10 -0.69 0.23 0.00 0.00 176.35 175.08 2keo s VAL 26 N 3.99 5.04 0.42 -1.59 1.01 -0.43 -4.87 120.40 123.97 2keo s VAL 26 Ca 0.32 0.06 0.08 0.00 0.00 0.00 0.00 61.98 62.44 2keo s VAL 26 Cb -0.12 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 32.97 2keo s VAL 26 CO 0.21 0.44 0.52 -0.13 0.00 0.00 0.00 175.10 176.14 2keo s ARG 27 N 0.49 2.73 0.32 2.72 0.52 -1.26 -1.64 118.95 122.83 2keo s ARG 27 Ca 0.05 -1.34 0.08 0.00 -0.52 0.00 0.00 55.73 54.00 2keo s ARG 27 Cb -0.12 -2.65 0.54 0.00 0.52 0.00 0.00 34.95 33.24 2keo s ARG 27 CO 0.00 -0.27 1.75 0.97 0.02 0.00 0.00 175.30 177.78 2keo h ILE 28 N 0.74 1.28 -0.62 1.52 2.10 -1.98 -2.67 117.51 117.88 2keo h ILE 28 Ca -0.40 -1.36 0.04 0.00 1.08 0.00 0.00 64.86 64.21 2keo h ILE 28 Cb 1.28 1.59 -0.04 0.00 -1.09 0.00 0.00 36.82 38.57 2keo h ILE 28 CO 0.48 0.41 0.41 0.00 -1.08 0.00 0.00 178.15 178.37 2keo h ALA 29 N 1.45 1.69 -0.38 0.18 0.00 -1.97 -1.94 119.26 118.29 2keo h ALA 29 Ca 0.02 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 2keo h ALA 29 Cb 0.72 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2keo h ALA 29 CO 0.05 0.24 -0.17 0.22 0.00 0.00 0.00 179.25 179.59 2keo h ASP 30 N 0.71 0.80 -0.96 0.00 3.58 -1.89 -2.93 116.42 115.73 2keo h ASP 30 Ca 0.25 -0.40 0.10 0.00 0.42 0.00 0.00 57.03 57.41 2keo h ASP 30 Cb 0.12 -0.22 -0.08 0.00 1.72 0.00 0.00 39.33 40.87 2keo h ASP 30 CO -0.07 1.03 0.59 -0.07 -2.88 0.00 0.00 179.24 177.84 2keo h LEU 31 N 0.58 0.88 -0.53 2.28 3.38 -1.33 -2.08 115.31 118.48 2keo h LEU 31 Ca 0.08 0.04 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 2keo h LEU 31 Cb 0.72 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 2keo h LEU 31 CO 0.05 0.50 0.03 -0.33 0.09 0.00 0.00 178.44 178.78 2keo h GLU 32 N 0.98 0.92 0.03 1.13 4.39 -1.38 -1.81 114.58 118.83 2keo h GLU 32 Ca 0.46 -0.28 0.00 0.00 0.34 0.00 0.00 59.36 59.88 2keo h GLU 32 Cb 0.40 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 2keo h GLU 32 CO -0.24 0.93 -0.04 -0.91 -1.16 0.00 0.00 179.01 177.58 2keo h ASN 33 N 0.80 -0.11 -0.22 1.42 2.35 -1.22 -2.35 115.58 116.26 2keo h ASN 33 Ca 0.15 0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.86 2keo h ASN 33 Cb 0.49 0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.88 2keo h ASN 33 CO 0.02 -0.06 -0.03 0.45 -1.65 0.00 0.00 177.43 176.16 2keo h HIS 34 N -0.08 0.56 -0.93 1.19 3.86 -1.35 -1.53 115.15 116.87 2keo h HIS 34 Ca 0.01 -0.06 0.03 0.00 -1.16 0.00 0.00 60.37 59.18 2keo h HIS 34 Cb 0.09 -0.16 -0.05 0.00 1.06 0.00 0.00 27.41 28.35 2keo h HIS 34 CO -0.10 0.57 0.61 -0.97 0.86 0.00 0.00 177.93 178.90 2keo h ASN 35 N 0.51 1.03 1.56 2.45 -1.24 -1.09 0.88 115.58 119.68 2keo h ASN 35 Ca 0.11 -0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.10 2keo h ASN 35 Cb 0.37 -0.25 0.00 0.00 0.73 0.00 0.00 38.32 39.18 2keo h ASN 35 CO 0.02 0.72 0.00 0.78 -1.29 0.00 0.00 177.43 177.66 2keo h ASN 36 N 1.21 0.00 1.56 1.15 2.35 -0.76 -2.37 115.58 118.71 2keo h ASN 36 Ca 0.36 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.11 2keo h ASN 36 Cb -0.05 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.32 2keo h ASN 36 CO -0.10 0.00 -0.44 0.44 -1.65 0.00 0.00 177.43 175.68 2keo h ASP 37 N 0.00 0.00 0.00 5.81 5.19 -0.83 -3.48 116.42 123.11 2keo h ASP 37 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2keo h ASP 37 Cb 0.78 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.29 2keo h ASP 37 CO 0.00 0.02 0.00 0.61 -3.12 0.00 0.00 179.24 176.75 2keo n GLY 38 N 1.14 1.33 3.56 2.75 0.00 -0.58 -5.03 105.19 108.36 2keo n GLY 38 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 2keo n GLY 38 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2keo s GLY 39 N -2.28 0.95 -0.40 -0.02 0.00 0.20 -4.92 107.32 100.86 2keo s GLY 39 Ca 0.00 -2.11 -0.29 0.00 0.00 0.00 0.00 44.72 42.32 2keo s GLY 39 CO 0.00 2.95 1.36 -0.12 0.00 0.00 0.00 173.10 177.30 2keo s PHE 40 N 6.59 2.50 0.56 1.90 5.36 -1.26 -3.59 117.98 130.04 2keo s PHE 40 Ca 0.54 0.72 0.09 0.00 -0.96 0.00 0.00 56.93 57.32 2keo s PHE 40 Cb -0.01 -4.24 0.08 0.00 -0.34 0.00 0.00 43.02 38.51 2keo s PHE 40 CO -0.05 -1.86 0.78 -1.58 -1.46 0.00 0.00 175.22 171.05 2keo s TRP 41 N 5.12 1.54 -0.02 10.12 0.52 -1.26 -0.96 118.94 134.01 2keo s TRP 41 Ca 0.59 -0.68 -0.26 0.00 0.02 0.00 0.00 56.10 55.76 2keo s TRP 41 Cb -0.14 -2.25 0.06 0.00 -1.15 0.00 0.00 33.47 30.00 2keo s TRP 41 CO 0.31 -1.10 0.59 -0.08 0.02 0.00 0.00 176.95 176.68 2keo s THR 42 N -2.65 0.01 -0.36 2.01 -1.32 -0.45 -4.79 115.64 108.09 2keo s THR 42 Ca 0.61 -0.12 -0.12 0.00 -1.21 0.00 0.00 61.69 60.85 2keo s THR 42 Cb -0.06 -0.93 0.01 0.00 -1.51 0.00 0.00 72.50 70.01 2keo s THR 42 CO 0.39 -0.07 0.22 0.54 -2.21 0.00 0.00 174.62 173.48 2keo s VAL 43 N -1.55 4.80 -0.18 5.08 0.11 -1.26 -1.24 120.40 126.17 2keo s VAL 43 Ca -0.10 -0.63 0.01 0.00 -2.93 0.00 0.00 61.98 58.32 2keo s VAL 43 Cb -0.01 -3.60 0.03 0.00 -1.53 0.00 0.00 36.38 31.28 2keo s VAL 43 CO 0.06 -0.15 -0.12 -0.63 -3.33 0.00 0.00 175.10 170.93 2keo s ILE 44 N 1.61 1.63 -1.24 7.04 1.01 -0.26 -4.85 121.20 126.15 2keo s ILE 44 Ca 0.04 -0.86 -0.06 0.00 0.00 0.00 0.00 60.65 59.77 2keo s ILE 44 Cb -0.18 -1.63 -0.01 0.00 0.01 0.00 0.00 42.46 40.64 2keo s ILE 44 CO 0.08 0.30 0.73 -0.67 0.00 0.00 0.00 174.94 175.37 2keo n ASP 45 N 4.72 -2.76 0.00 3.58 2.03 -1.26 -1.99 116.55 120.86 2keo n ASP 45 Ca -0.16 -0.87 0.00 0.00 0.52 0.00 0.00 54.79 54.28 2keo n ASP 45 Cb 0.48 -3.97 0.00 0.00 -0.72 0.00 0.00 41.12 36.91 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 -1.59 0.80 3.74 0.27 0.00 -1.26 -4.98 105.19 102.17 2keo n GLY 46 Ca -0.22 0.00 -0.24 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 -0.26 2.29 -0.19 1.61 -0.14 -0.84 -1.03 119.74 121.18 2keo s LYS 47 Ca 0.00 -1.70 -0.01 0.00 -1.36 0.00 0.00 55.97 52.90 2keo s LYS 47 Cb 0.00 -2.08 0.00 0.00 -1.68 0.00 0.00 37.83 34.07 2keo s LYS 47 CO 0.00 -0.02 -0.12 0.08 -0.76 0.00 0.00 175.35 174.52 2keo s VAL 48 N -2.52 2.78 0.42 3.17 1.01 -0.61 -1.11 120.40 123.55 2keo s VAL 48 Ca 0.40 -0.71 0.07 0.00 0.00 0.00 0.00 61.98 61.74 2keo s VAL 48 Cb 0.01 -2.21 -0.05 0.00 0.00 0.00 0.00 36.38 34.12 2keo s VAL 48 CO 0.23 0.49 0.14 -0.31 0.00 0.00 0.00 175.10 175.65 2keo s TYR 49 N 1.19 2.53 0.24 5.22 1.51 -0.37 -1.48 117.35 126.19 2keo s TYR 49 Ca 0.02 -0.63 0.04 0.00 -1.01 0.00 0.00 57.07 55.49 2keo s TYR 49 Cb -0.14 -1.91 -0.03 0.00 -0.11 0.00 0.00 41.96 39.77 2keo s TYR 49 CO -0.05 0.22 0.38 0.16 -1.11 0.00 0.00 175.55 175.15 2keo s ASP 50 N -3.88 6.32 -0.03 2.29 -4.77 -1.15 -1.34 116.67 114.11 2keo s ASP 50 Ca 0.38 0.13 0.02 0.00 -3.30 0.00 0.00 52.55 49.79 2keo s ASP 50 Cb 0.05 -1.89 -0.03 0.00 -1.09 0.00 0.00 42.92 39.95 2keo s ASP 50 CO 0.21 -0.09 0.01 -0.38 0.70 0.00 0.00 175.17 175.62 2keo n ILE 51 N -1.36 0.17 0.18 2.11 2.08 -0.13 -4.53 119.36 117.88 2keo n ILE 51 Ca -0.08 -0.11 -0.16 0.00 0.56 0.00 0.00 62.75 62.96 2keo n ILE 51 Cb 0.57 -0.82 -0.08 0.00 -0.75 0.00 0.00 39.64 38.55 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 -0.73 -0.05 0.38 3.64 -1.82 -1.51 116.57 116.48 2keo h LYS 52 Ca -0.07 0.05 -0.20 0.00 -1.27 0.00 0.00 60.65 59.16 2keo h LYS 52 Cb 1.09 0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 33.07 2keo h LYS 52 CO 0.00 -0.49 -0.81 0.22 -2.27 0.00 0.00 179.45 176.11 2keo h ASP 53 N -0.76 0.52 -0.25 4.20 3.58 -1.88 -3.24 116.42 118.60 2keo h ASP 53 Ca -0.01 -0.37 0.06 0.00 0.42 0.00 0.00 57.03 57.13 2keo h ASP 53 Cb 0.73 -0.16 -0.07 0.00 1.72 0.00 0.00 39.33 41.55 2keo h ASP 53 CO -0.17 1.14 -0.26 0.15 -2.88 0.00 0.00 179.24 177.22 2keo h PHE 54 N 0.27 -0.70 0.00 0.28 3.04 -1.76 -0.81 116.94 117.27 2keo h PHE 54 Ca -0.05 0.04 -0.06 0.00 3.98 0.00 0.00 57.97 61.88 2keo h PHE 54 Cb 1.41 0.34 -0.01 0.00 2.56 0.00 0.00 35.95 40.26 2keo h PHE 54 CO 0.05 -0.34 -0.30 -0.56 -2.02 0.00 0.00 178.31 175.15 2keo h GLN 55 N -0.27 0.00 -0.38 1.11 3.07 -1.37 -1.14 115.11 116.14 2keo h GLN 55 Ca 0.14 0.00 -0.11 0.00 0.09 0.00 0.00 58.65 58.77 2keo h GLN 55 Cb 0.48 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.03 2keo h GLN 55 CO -0.40 0.30 -0.18 1.15 0.09 0.00 0.00 178.83 179.79 2keo h THR 56 N 0.00 1.28 0.00 1.86 2.02 -1.38 -2.14 112.91 114.55 2keo h THR 56 Ca -0.00 -1.31 -0.08 0.00 0.77 0.00 0.00 66.41 65.79 2keo h THR 56 Cb 0.61 1.32 -0.01 0.00 -1.74 0.00 0.00 68.15 68.33 2keo h THR 56 CO 0.04 0.43 -0.36 1.56 0.37 0.00 0.00 175.52 177.57 2keo h GLN 57 N 0.59 0.00 0.00 6.66 1.08 -0.49 -2.15 115.11 120.80 2keo h GLN 57 Ca 0.08 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.19 2keo h GLN 57 Cb 0.73 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.14 2keo h GLN 57 CO 0.05 0.36 -0.44 1.03 -0.95 0.00 0.00 178.83 178.88 2keo h SER 58 N 0.00 0.00 0.47 1.46 0.87 -1.10 -3.24 113.55 112.00 2keo h SER 58 Ca -0.00 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.50 2keo h SER 58 Cb 0.70 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.66 2keo h SER 58 CO 0.05 0.44 -0.27 0.25 -0.53 0.00 0.00 176.83 176.77 2keo h LEU 59 N 0.00 0.00-10.05 2.23 5.85 -0.69 -3.40 115.31 109.25 2keo h LEU 59 Ca -0.00 0.00 -0.51 0.00 0.84 0.00 0.00 57.88 58.21 2keo h LEU 59 Cb 0.98 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.99 2keo h LEU 59 CO 0.06 0.27 0.01 0.28 -0.34 0.00 0.00 178.44 178.72 2keo s THR 60 N -4.09 4.82 0.55 1.05 -1.32 -1.23 -5.09 115.64 110.32 2keo s THR 60 Ca -0.02 0.63 -0.15 0.00 -1.21 0.00 0.00 61.69 60.93 2keo s THR 60 Cb 0.13 -3.65 -0.06 0.00 -1.51 0.00 0.00 72.50 67.40 2keo s THR 60 CO 0.67 -0.25 1.00 -0.70 -2.21 0.00 0.00 174.62 173.13 2keo s GLU 61 N -3.20 3.78 0.00 7.08 2.56 -1.26 -3.88 118.70 123.78 2keo s GLU 61 Ca 0.50 0.96 0.00 0.00 0.00 0.00 0.00 54.97 56.43 2keo s GLU 61 Cb -0.11 -2.11 0.00 0.00 2.00 0.00 0.00 34.13 33.92 2keo s GLU 61 CO 0.23 -0.41 0.00 0.09 -0.56 0.00 0.00 175.26 174.61 2keo n ASN 62 N -1.86 -2.43 -4.81 -1.70 4.13 -1.26 -5.01 115.26 102.32 2keo n ASN 62 Ca 0.07 0.00 -0.32 0.00 1.68 0.00 0.00 54.58 56.00 2keo n ASN 62 Cb 0.54 -1.42 0.01 0.00 -1.54 0.00 0.00 39.78 37.37 2keo n ASN 62 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 2keo s SER 63 N -2.25 5.80 0.55 6.41 0.15 -1.25 -4.95 113.70 118.16 2keo s SER 63 Ca 0.00 1.77 0.35 0.00 0.70 0.00 0.00 55.95 58.77 2keo s SER 63 Cb 0.00 -2.53 1.49 0.00 -1.71 0.00 0.00 66.02 63.28 2keo s SER 63 CO 0.00 -1.15 2.02 0.16 1.20 0.00 0.00 173.24 175.47 2keo h ILE 64 N 0.33 0.00 -0.05 6.45 3.07 -1.93 -2.82 117.51 122.57 2keo h ILE 64 Ca -0.46 -0.43 0.00 0.00 1.55 0.00 0.00 64.86 65.51 2keo h ILE 64 Cb 1.22 1.42 0.00 0.00 -0.27 0.00 0.00 36.82 39.18 2keo h ILE 64 CO 0.58 0.00 0.00 0.18 -1.05 0.00 0.00 178.15 177.86 2keo n LEU 65 N -3.05 2.57 0.23 0.16 4.77 -1.26 -4.20 117.00 116.22 2keo n LEU 65 Ca 0.00 -0.87 0.08 0.00 -0.03 0.00 0.00 56.01 55.19 2keo n LEU 65 Cb 0.27 -0.01 0.57 0.00 -2.33 0.00 0.00 43.42 41.92 2keo n LEU 65 CO 0.26 0.44 0.90 0.00 -1.33 0.00 0.00 177.39 177.65 2keo h ALA 66 N 4.59 1.45 0.00 -1.18 0.00 -1.71 -1.24 119.26 121.17 2keo h ALA 66 Ca 0.00 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 2keo h ALA 66 Cb 0.85 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 2keo h ALA 66 CO 0.00 0.24 -0.66 -0.56 0.00 0.00 0.00 179.25 178.27 2keo h GLN 67 N 0.00 0.00 -0.13 0.00 3.07 -1.79 -3.32 115.11 112.95 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 0.40 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.96 2keo h GLN 67 CO 0.03 0.43 0.00 1.19 0.09 0.00 0.00 178.83 180.56 2keo n PHE 68 N -3.14 0.15 0.19 0.06 3.72 -0.64 -4.09 117.46 113.71 2keo n PHE 68 Ca -0.00 -0.07 0.03 0.00 -0.05 0.00 0.00 57.45 57.36 2keo n PHE 68 Cb 0.74 0.00 0.39 0.00 -0.94 0.00 0.00 39.48 39.67 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 4.27 1.42 -0.45 4.37 0.00 -1.37 -2.74 119.26 124.76 2keo h ALA 69 Ca 0.00 -0.31 -0.18 0.00 0.00 0.00 0.00 54.91 54.42 2keo h ALA 69 Cb 0.59 -0.05 -0.11 0.00 0.00 0.00 0.00 17.79 18.22 2keo h ALA 69 CO 0.00 0.43 0.23 0.41 0.00 0.00 0.00 179.25 180.32 2keo n GLY 70 N -0.53 2.97 3.04 0.00 0.00 -1.26 -4.85 105.19 104.56 2keo n GLY 70 Ca -0.02 -0.54 -0.09 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.77 0.43 0.07 1.61 2.56 -1.03 -5.14 118.70 115.43 2keo s GLU 71 Ca 0.29 -0.69 -0.35 0.00 0.00 0.00 0.00 54.97 54.22 2keo s GLU 71 Cb 0.24 0.16 -0.15 0.00 2.00 0.00 0.00 34.13 36.38 2keo s GLU 71 CO 0.06 -0.09 1.56 -3.47 -0.56 0.00 0.00 175.26 172.77 2keo n ASP 72 N 1.21 2.66 -0.14 -1.70 -0.08 -1.26 -4.79 116.55 112.43 2keo n ASP 72 Ca -0.21 1.08 0.14 0.00 -1.51 0.00 0.00 54.79 54.28 2keo n ASP 72 Cb 0.57 -1.33 0.49 0.00 2.34 0.00 0.00 41.12 43.19 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 6.07 0.42 -0.03 -0.67 0.11 -1.95 0.14 132.00 136.10 2keo h PRO 73 Ca -0.46 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 2keo h PRO 73 Cb 1.29 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2keo h PRO 73 CO 0.87 0.28 -0.11 0.28 -0.21 0.00 0.00 178.00 179.11 2keo h VAL 74 N 0.43 1.48 -0.40 3.15 2.07 -1.97 -2.07 116.25 118.94 2keo h VAL 74 Ca 0.34 -1.58 -0.03 0.00 0.82 0.00 0.00 66.70 66.25 2keo h VAL 74 Cb 0.73 2.47 -0.02 0.00 -1.52 0.00 0.00 31.29 32.94 2keo h VAL 74 CO -0.11 0.43 0.12 0.58 0.02 0.00 0.00 177.57 178.61 2keo h VAL 75 N -0.47 1.17 -0.15 2.57 2.07 -1.78 -1.35 116.25 118.31 2keo h VAL 75 Ca -0.01 -0.59 -0.16 0.00 0.82 0.00 0.00 66.70 66.77 2keo h VAL 75 Cb 0.75 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 2keo h VAL 75 CO 0.02 0.22 -0.57 0.00 0.02 0.00 0.00 177.57 177.26 2keo h ALA 76 N 1.56 0.74 -0.16 1.67 0.00 -0.76 -0.12 119.26 122.19 2keo h ALA 76 Ca 0.14 -0.52 -0.22 0.00 0.00 0.00 0.00 54.91 54.30 2keo h ALA 76 Cb 0.18 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.90 2keo h ALA 76 CO -0.01 0.70 -0.77 1.25 0.00 0.00 0.00 179.25 180.42 2keo h LEU 77 N 0.35 0.96 -1.18 0.00 5.85 -0.99 0.21 115.31 120.51 2keo h LEU 77 Ca 0.00 -0.62 -0.03 0.00 0.84 0.00 0.00 57.88 58.07 2keo h LEU 77 Cb 1.10 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.82 2keo h LEU 77 CO 0.10 1.43 0.23 -0.33 -0.34 0.00 0.00 178.44 179.53 2keo h GLU 78 N 0.55 0.80 -0.08 1.25 5.08 -1.16 -1.88 114.58 119.15 2keo h GLU 78 Ca -0.05 -0.12 -0.14 0.00 -1.00 0.00 0.00 59.36 58.05 2keo h GLU 78 Cb 1.40 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 2keo h GLU 78 CO 0.16 0.65 -0.57 0.00 -1.00 0.00 0.00 179.01 178.25 2keo h ALA 79 N 1.46 0.89 -0.39 3.43 0.00 -0.94 -2.78 119.26 120.93 2keo h ALA 79 Ca 0.19 -0.52 -0.06 0.00 0.00 0.00 0.00 54.91 54.52 2keo h ALA 79 Cb 0.14 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2keo h ALA 79 CO -0.02 0.71 -0.00 0.00 0.00 0.00 0.00 179.25 179.94 2keo h ALA 80 N 1.22 0.53 -0.03 0.00 0.00 -0.31 -1.11 119.26 119.56 2keo h ALA 80 Ca -0.00 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.55 2keo h ALA 80 Cb 1.06 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2keo h ALA 80 CO 0.09 0.31 -0.43 -0.07 0.00 0.00 0.00 179.25 179.15 2keo h LEU 81 N 0.52 0.07 -0.79 0.00 -0.00 -1.38 -1.62 115.31 112.11 2keo h LEU 81 Ca 0.11 -0.03 -0.10 0.00 -0.00 0.00 0.00 57.88 57.86 2keo h LEU 81 Cb 0.48 -0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 41.10 2keo h LEU 81 CO 0.02 0.49 -0.50 -0.61 -0.00 0.00 0.00 178.44 177.84 2keo h GLN 82 N 0.05 0.00 -5.13 1.13 4.15 -1.29 -3.44 115.11 110.59 2keo h GLN 82 Ca 0.00 0.00 -0.63 0.00 0.77 0.00 0.00 58.65 58.79 2keo h GLN 82 Cb 0.79 0.00 -0.15 0.00 0.21 0.00 0.00 27.48 28.33 2keo h GLN 82 CO 0.06 0.50 -0.25 0.12 -1.93 0.00 0.00 178.83 177.33 2keo s PHE 83 N -3.55 3.24 0.55 3.99 5.36 -0.44 -4.97 117.98 122.16 2keo s PHE 83 Ca -0.00 0.36 0.23 0.00 -0.96 0.00 0.00 56.93 56.55 2keo s PHE 83 Cb 0.11 -2.58 1.50 0.00 -0.34 0.00 0.00 43.02 41.71 2keo s PHE 83 CO 0.72 -0.25 2.15 1.05 -1.46 0.00 0.00 175.22 177.44 2keo h GLU 84 N 8.21 0.00 0.00 10.12 4.11 -1.84 -1.01 114.58 134.17 2keo h GLU 84 Ca -0.31 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.12 2keo h GLU 84 Cb 1.16 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 2keo h GLU 84 CO 0.65 0.00 -0.00 0.22 0.07 0.00 0.00 179.01 179.95 2keo h ASP 85 N 0.00 0.00 0.00 3.06 3.58 -1.93 -3.36 116.42 117.77 2keo h ASP 85 Ca 0.04 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.49 2keo h ASP 85 Cb 0.19 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.24 2keo h ASP 85 CO -0.00 0.00 -0.18 0.35 -2.88 0.00 0.00 179.24 176.53 2keo n THR 86 N -3.10 0.00 0.21 2.25 -2.24 -0.89 -4.70 114.28 105.82 2keo n THR 86 Ca 0.04 -0.32 0.07 0.00 -2.27 0.00 0.00 64.05 61.57 2keo n THR 86 Cb 0.52 0.87 0.47 0.00 -2.10 0.00 0.00 70.33 70.09 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 0.45 -0.78 0.11 -0.22 -3.30 114.38 110.64 2keo h ARG 87 Ca 0.00 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.06 2keo h ARG 87 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 2keo h ARG 87 CO 0.00 0.28 -0.21 0.93 0.10 0.00 0.00 179.97 181.07 2keo h GLU 88 N 0.00 -0.58 0.00 0.08 5.08 -1.84 -2.50 114.58 114.83 2keo h GLU 88 Ca -0.00 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2keo h GLU 88 Cb 0.65 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.03 2keo h GLU 88 CO 0.04 -0.38 0.00 0.77 -1.00 0.00 0.00 179.01 178.43 2keo h SER 89 N -0.60 0.00 0.28 1.42 0.02 -1.91 -2.61 113.55 110.15 2keo h SER 89 Ca -0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 2keo h SER 89 Cb 0.46 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.00 2keo h SER 89 CO 0.10 0.00 0.00 0.23 -1.14 0.00 0.00 176.83 176.02 2keo n MET 90 N -3.08 0.42 0.28 3.45 2.81 -0.94 -1.70 117.12 118.35 2keo n MET 90 Ca -0.01 0.06 0.16 0.00 -1.81 0.00 0.00 57.70 56.10 2keo n MET 90 Cb 0.17 -1.50 0.74 0.00 -0.71 0.00 0.00 33.22 31.93 2keo n MET 90 CO 0.00 0.00 0.00 1.12 1.51 0.00 0.00 175.97 178.60 2keo h HIS 91 N 0.00 0.00 0.00 2.03 2.07 -1.57 -1.29 115.15 116.39 2keo h HIS 91 Ca 0.00 0.00 -0.27 0.00 -2.85 0.00 0.00 60.37 57.25 2keo h HIS 91 Cb 0.14 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 30.08 2keo h HIS 91 CO 0.00 0.06 -1.59 0.00 -3.07 0.00 0.00 177.93 173.32 2keo h ALA 92 N 1.94 0.72 0.00 6.11 0.00 -1.58 -3.37 119.26 123.09 2keo h ALA 92 Ca -0.00 -1.34 -0.09 0.00 0.00 0.00 0.00 54.91 53.48 2keo h ALA 92 Cb 0.44 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2keo h ALA 92 CO 0.01 1.48 -0.47 0.74 0.00 0.00 0.00 179.25 181.00 2keo h PHE 93 N 0.00 0.00 -3.35 0.00 -1.00 -1.55 -3.42 116.94 107.61 2keo h PHE 93 Ca -0.24 0.00 -0.57 0.00 2.81 0.00 0.00 57.97 59.97 2keo h PHE 93 Cb 1.94 0.00 -0.06 0.00 3.61 0.00 0.00 35.95 41.44 2keo h PHE 93 CO 0.00 0.40 1.02 0.00 -1.61 0.00 0.00 178.31 178.12 2keo h VAL 95 N 6.32 0.67 0.00 0.00 -1.51 -1.53 -3.48 116.25 116.73 2keo h VAL 95 Ca -0.26 -1.13 0.00 0.00 -1.23 0.00 0.00 66.70 64.08 2keo h VAL 95 Cb 1.09 1.73 0.00 0.00 -2.13 0.00 0.00 31.29 31.98 2keo h VAL 95 CO 1.09 0.25 0.00 0.61 -1.23 0.00 0.00 177.57 178.28 2keo n GLY 96 N -0.00 -0.52 3.82 5.19 0.00 -1.23 -4.67 105.19 107.77 2keo n GLY 96 Ca -0.00 -0.90 -0.36 0.00 0.00 0.00 0.00 46.02 44.76 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 -1.24 3.30 -0.12 1.61 0.74 0.04 -1.57 119.66 122.43 2keo s GLN 97 Ca 0.00 -0.22 -0.30 0.00 0.05 0.00 0.00 55.36 54.90 2keo s GLN 97 Cb 0.00 -3.07 -0.01 0.00 1.10 0.00 0.00 33.01 31.03 2keo s GLN 97 CO 0.00 0.75 1.06 -0.47 -0.55 0.00 0.00 175.29 176.08 2keo s TYR 98 N -0.97 3.40 -0.19 1.67 5.04 -0.20 -1.32 117.35 124.77 2keo s TYR 98 Ca 0.14 1.48 -0.01 0.00 -2.44 0.00 0.00 57.07 56.24 2keo s TYR 98 Cb -0.12 -3.26 0.00 0.00 0.35 0.00 0.00 41.96 38.94 2keo s TYR 98 CO 0.03 -0.54 -0.12 -1.17 -1.34 0.00 0.00 175.55 172.42 2keo s LEU 99 N 2.31 2.52 0.39 6.97 0.20 -0.65 -4.80 118.68 125.62 2keo s LEU 99 Ca 0.49 -0.51 -0.26 0.00 0.69 0.00 0.00 54.13 54.55 2keo s LEU 99 Cb -0.19 -1.61 -0.09 0.00 -0.43 0.00 0.00 46.19 43.88 2keo s LEU 99 CO 0.17 0.01 1.22 -1.61 -0.29 0.00 0.00 176.35 175.84 2keo s GLU 100 N 1.29 4.08 0.50 1.98 2.02 -1.26 -4.17 118.70 123.14 2keo s GLU 100 Ca 0.04 1.97 0.22 0.00 0.02 0.00 0.00 54.97 57.22 2keo s GLU 100 Cb -0.14 -2.76 1.30 0.00 0.10 0.00 0.00 34.13 32.63 2keo s GLU 100 CO -0.07 -0.34 1.98 -1.00 0.02 0.00 0.00 175.26 175.85 2keo h PRO 101 N 2.77 0.12 0.00 0.39 0.13 -1.99 -0.81 132.00 132.60 2keo h PRO 101 Ca -0.49 -0.01 -0.21 0.00 -0.87 0.00 0.00 66.00 64.43 2keo h PRO 101 Cb 1.24 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 2keo h PRO 101 CO 0.63 0.08 -1.10 0.22 -0.23 0.00 0.00 178.00 177.60 2keo h ASP 102 N 0.12 0.00 0.70 1.44 3.58 -1.97 -3.35 116.42 116.94 2keo h ASP 102 Ca 0.28 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.71 2keo h ASP 102 Cb 0.94 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.99 2keo h ASP 102 CO -0.03 0.90 -0.11 -0.61 -2.88 0.00 0.00 179.24 176.51 2keo h GLN 103 N 0.00 0.00 -0.40 0.28 4.15 -1.36 -1.35 115.11 116.43 2keo h GLN 103 Ca -0.07 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.33 2keo h GLN 103 Cb 1.75 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.42 2keo h GLN 103 CO 0.10 0.11 0.18 1.49 -1.93 0.00 0.00 178.83 178.78 2keo h GLU 104 N 0.00 0.56 0.02 1.69 4.81 -1.67 -3.30 114.58 116.69 2keo h GLU 104 Ca -0.00 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2keo h GLU 104 Cb 0.49 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.76 2keo h GLU 104 CO 0.01 0.45 -0.01 0.78 -0.73 0.00 0.00 179.01 179.52 2keo h GLY 105 N 0.70 -0.03 -5.09 1.92 0.00 -1.50 -3.48 103.07 95.60 2keo h GLY 105 Ca 0.14 0.01 -0.64 0.00 0.00 0.00 0.00 47.33 46.84 2keo h GLY 105 CO -0.02 -0.01 -0.51 0.54 0.00 0.00 0.00 176.54 176.54 2keo s VAL 106 N -1.44 5.30 -0.15 4.60 0.11 -0.97 -5.11 120.40 122.75 2keo s VAL 106 Ca -0.00 -0.26 -0.04 0.00 -2.93 0.00 0.00 61.98 58.74 2keo s VAL 106 Cb 0.00 -3.50 -0.03 0.00 -1.53 0.00 0.00 36.38 31.32 2keo s VAL 106 CO 0.01 0.28 -0.02 0.28 -3.33 0.00 0.00 175.10 172.33 2keo s THR 107 N -1.35 4.10 -0.17 5.04 -1.32 -1.26 -4.44 115.64 116.24 2keo s THR 107 Ca 0.28 -0.29 -0.27 0.00 -1.21 0.00 0.00 61.69 60.20 2keo s THR 107 Cb -0.13 -2.79 -0.01 0.00 -1.51 0.00 0.00 72.50 68.07 2keo s THR 107 CO 0.20 0.51 0.94 -0.63 -2.21 0.00 0.00 174.62 173.43 2keo s ILE 108 N 0.14 4.80 0.00 5.08 1.01 -1.26 -5.02 121.20 125.94 2keo s ILE 108 Ca 0.00 1.85 -0.30 0.00 0.00 0.00 0.00 60.65 62.20 2keo s ILE 108 Cb -0.13 -4.23 -0.05 0.00 0.01 0.00 0.00 42.46 38.05 2keo s ILE 108 CO 0.02 -0.04 1.33 -2.16 0.00 0.00 0.00 174.94 174.09 2keo s PRO 109 N 2.44 4.32 -0.52 2.79 0.04 -1.26 -4.99 135.00 137.82 2keo s PRO 109 Ca 0.42 1.88 -0.27 0.00 0.04 0.00 0.00 61.00 63.07 2keo s PRO 109 Cb -0.17 -3.52 0.03 0.00 0.04 0.00 0.00 34.50 30.88 2keo s PRO 109 CO 0.12 -0.50 1.09 0.34 0.04 0.00 0.00 177.00 178.09 2keo s ASP 110 N 1.63 6.50 0.01 6.66 2.15 -1.26 -4.85 116.67 127.51 2keo s ASP 110 Ca 0.61 0.14 0.22 0.00 0.43 0.00 0.00 52.55 53.96 2keo s ASP 110 Cb -0.30 -2.51 -0.02 0.00 -0.30 0.00 0.00 42.92 39.79 2keo s ASP 110 CO 0.26 -1.29 0.99 0.00 -0.17 0.00 0.00 175.17 174.96 2keo n LEU 111 N 7.87 0.70 0.00 -1.34 -0.00 -1.26 -5.36 117.00 117.61 2keo n LEU 111 Ca 0.08 -0.21 0.00 0.00 -0.00 0.00 0.00 56.01 55.88 2keo n LEU 111 Cb 0.49 -0.08 0.00 0.00 -0.00 0.00 0.00 43.42 43.83 2keo n LEU 111 CO 0.69 0.14 0.00 0.61 -0.00 0.00 0.00 177.39 178.83