#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 1.83 -0.43 3.49 0.00 -1.26 -5.12 119.74 118.24 2keo s LYS 22 Ca 0.00 -2.08 0.03 0.00 0.00 0.00 0.00 55.97 53.92 2keo s LYS 22 Cb 0.00 -0.75 0.12 0.00 0.00 0.00 0.00 37.83 37.20 2keo s LYS 22 CO 0.00 -0.36 0.19 0.54 0.00 0.00 0.00 175.35 175.72 2keo s VAL 23 N -3.24 1.95 -0.40 1.79 0.11 -1.26 -4.85 120.40 114.49 2keo s VAL 23 Ca 0.28 -2.65 -0.28 0.00 -2.93 0.00 0.00 61.98 56.39 2keo s VAL 23 Cb 0.05 -2.38 -0.00 0.00 -1.53 0.00 0.00 36.38 32.51 2keo s VAL 23 CO 0.14 -0.77 1.56 -0.89 -3.33 0.00 0.00 175.10 171.81 2keo s THR 24 N 0.39 3.73 -0.69 5.04 2.01 -1.26 -4.75 115.64 120.11 2keo s THR 24 Ca 0.15 0.73 -0.27 0.00 0.31 0.00 0.00 61.69 62.61 2keo s THR 24 Cb -0.23 -4.02 0.02 0.00 0.01 0.00 0.00 72.50 68.28 2keo s THR 24 CO -0.05 -0.67 1.34 -0.76 -0.69 0.00 0.00 174.62 173.79 2keo s LEU 25 N 6.10 3.23 -0.08 4.42 1.43 -1.25 -1.27 118.68 131.26 2keo s LEU 25 Ca 0.67 -0.23 -0.14 0.00 -1.03 0.00 0.00 54.13 53.41 2keo s LEU 25 Cb -0.16 -2.68 -0.05 0.00 0.03 0.00 0.00 46.19 43.32 2keo s LEU 25 CO 0.32 -1.84 0.34 -0.69 0.23 0.00 0.00 176.35 174.72 2keo s VAL 26 N 6.01 5.20 0.37 -1.59 1.01 -0.65 -4.82 120.40 125.93 2keo s VAL 26 Ca 0.41 0.68 0.08 0.00 0.00 0.00 0.00 61.98 63.14 2keo s VAL 26 Cb -0.09 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.61 2keo s VAL 26 CO 0.18 0.50 0.32 -0.60 0.00 0.00 0.00 175.10 175.51 2keo s ARG 27 N -0.45 2.65 0.26 2.72 3.52 -1.26 -1.21 118.95 125.18 2keo s ARG 27 Ca 0.21 -1.38 -0.02 0.00 -0.13 0.00 0.00 55.73 54.40 2keo s ARG 27 Cb -0.15 -2.44 0.47 0.00 -1.56 0.00 0.00 34.95 31.27 2keo s ARG 27 CO 0.09 -0.01 1.82 0.97 -0.81 0.00 0.00 175.30 177.35 2keo h ILE 28 N 1.17 0.90 -0.15 4.11 2.10 -1.99 -1.75 117.51 121.90 2keo h ILE 28 Ca -0.43 -0.29 -0.14 0.00 1.08 0.00 0.00 64.86 65.07 2keo h ILE 28 Cb 1.26 -0.03 -0.01 0.00 -1.09 0.00 0.00 36.82 36.95 2keo h ILE 28 CO 0.58 0.16 -0.52 0.00 -1.08 0.00 0.00 178.15 177.28 2keo h ALA 29 N 1.50 0.82 -0.32 0.18 0.00 -1.98 -2.82 119.26 116.63 2keo h ALA 29 Ca 0.44 -0.50 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2keo h ALA 29 Cb 0.44 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2keo h ALA 29 CO -0.26 0.68 0.02 -0.44 0.00 0.00 0.00 179.25 179.24 2keo h ASP 30 N 0.34 0.45 0.65 0.00 5.19 -1.73 -0.40 116.42 120.91 2keo h ASP 30 Ca 0.01 -0.08 -0.03 0.00 -0.62 0.00 0.00 57.03 56.31 2keo h ASP 30 Cb 1.03 -0.12 0.01 0.00 0.18 0.00 0.00 39.33 40.43 2keo h ASP 30 CO 0.09 0.51 -0.31 -0.07 -3.12 0.00 0.00 179.24 176.34 2keo h LEU 31 N 0.47 -0.74 -0.85 1.55 3.38 -1.29 -2.38 115.31 115.45 2keo h LEU 31 Ca 0.10 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 2keo h LEU 31 Cb 0.28 0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 2keo h LEU 31 CO 0.01 -0.47 0.43 -0.33 0.09 0.00 0.00 178.44 178.16 2keo h GLU 32 N -0.97 1.21 -0.16 1.13 4.39 -1.25 -0.43 114.58 118.50 2keo h GLU 32 Ca -0.09 -0.17 -0.20 0.00 0.34 0.00 0.00 59.36 59.24 2keo h GLU 32 Cb 0.70 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 2keo h GLU 32 CO 0.15 0.92 -0.70 -0.91 -1.16 0.00 0.00 179.01 177.30 2keo h ASN 33 N 1.20 0.78 -0.12 1.42 2.35 -1.16 -1.49 115.58 118.57 2keo h ASN 33 Ca 0.29 -0.49 -0.21 0.00 -0.55 0.00 0.00 56.30 55.35 2keo h ASN 33 Cb 0.09 -0.23 0.01 0.00 0.05 0.00 0.00 38.32 38.24 2keo h ASN 33 CO -0.04 1.26 -0.73 -0.74 -1.65 0.00 0.00 177.43 175.52 2keo h HIS 34 N 0.47 1.01 0.00 1.19 2.76 -1.24 -2.73 115.15 116.62 2keo h HIS 34 Ca -0.03 -0.43 -0.00 0.00 -2.20 0.00 0.00 60.37 57.71 2keo h HIS 34 Cb 1.30 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 30.10 2keo h HIS 34 CO 0.07 1.25 -0.00 -0.97 -1.30 0.00 0.00 177.93 176.98 2keo h ASN 35 N 0.53 -0.00 0.52 3.26 -1.24 -0.90 -1.99 115.58 115.76 2keo h ASN 35 Ca -0.04 -0.39 -0.08 0.00 0.71 0.00 0.00 56.30 56.50 2keo h ASN 35 Cb 1.35 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.39 2keo h ASN 35 CO 0.15 0.38 -0.39 -1.13 -1.29 0.00 0.00 177.43 175.16 2keo h ASN 36 N -0.39 0.00 0.69 1.15 -1.24 -1.39 -2.64 115.58 111.76 2keo h ASN 36 Ca -0.00 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 56.97 2keo h ASN 36 Cb 0.39 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.43 2keo h ASN 36 CO 0.00 0.39 -0.17 -0.78 -1.29 0.00 0.00 177.43 175.58 2keo h ASP 37 N 0.00 0.00 0.00 1.15 3.58 -1.37 -3.47 116.42 116.31 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 0.75 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.80 2keo h ASP 37 CO 0.05 0.17 0.00 0.61 -2.88 0.00 0.00 179.24 177.19 2keo n GLY 38 N -0.19 1.34 3.49 -0.78 0.00 -1.00 -5.09 105.19 102.95 2keo n GLY 38 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.02 1.42 -0.46 -0.02 0.00 -0.77 -4.97 107.32 102.49 2keo s GLY 39 Ca 0.00 -1.51 -0.28 0.00 0.00 0.00 0.00 44.72 42.93 2keo s GLY 39 CO 0.00 2.01 1.43 -0.12 0.00 0.00 0.00 173.10 176.42 2keo s PHE 40 N 3.89 2.33 -0.09 1.90 2.19 -1.26 -2.79 117.98 124.14 2keo s PHE 40 Ca 0.26 0.61 -0.02 0.00 0.33 0.00 0.00 56.93 58.12 2keo s PHE 40 Cb -0.15 -4.33 -0.03 0.00 -1.31 0.00 0.00 43.02 37.20 2keo s PHE 40 CO 0.15 -2.00 -0.02 -1.58 1.83 0.00 0.00 175.22 173.60 2keo s TRP 41 N 5.76 3.09 0.05 10.12 0.52 -1.26 -1.21 118.94 136.02 2keo s TRP 41 Ca 0.59 0.09 -0.07 0.00 0.02 0.00 0.00 56.10 56.73 2keo s TRP 41 Cb -0.13 -1.80 -0.01 0.00 -1.15 0.00 0.00 33.47 30.39 2keo s TRP 41 CO 0.30 0.37 0.14 -0.08 0.02 0.00 0.00 176.95 177.70 2keo s THR 42 N -0.69 0.13 -0.26 2.01 -1.32 -0.98 -4.87 115.64 109.67 2keo s THR 42 Ca 0.11 -1.08 -0.06 0.00 -1.21 0.00 0.00 61.69 59.44 2keo s THR 42 Cb -0.12 -1.02 -0.01 0.00 -1.51 0.00 0.00 72.50 69.84 2keo s THR 42 CO 0.02 -0.60 0.04 -0.69 -2.21 0.00 0.00 174.62 171.19 2keo s VAL 43 N -2.91 3.94 -0.09 5.08 1.01 -1.26 -1.73 120.40 124.44 2keo s VAL 43 Ca -0.02 -0.43 0.02 0.00 0.00 0.00 0.00 61.98 61.55 2keo s VAL 43 Cb 0.01 -2.89 0.01 0.00 0.00 0.00 0.00 36.38 33.51 2keo s VAL 43 CO -0.06 0.28 -0.15 -0.63 0.00 0.00 0.00 175.10 174.54 2keo s ILE 44 N 1.54 1.39 -1.48 2.22 1.01 -0.24 -4.79 121.20 120.84 2keo s ILE 44 Ca 0.05 -0.60 -0.01 0.00 0.00 0.00 0.00 60.65 60.09 2keo s ILE 44 Cb -0.16 -1.27 0.00 0.00 0.01 0.00 0.00 42.46 41.05 2keo s ILE 44 CO 0.01 0.42 0.07 -0.67 0.00 0.00 0.00 174.94 174.77 2keo n ASP 45 N 4.00 -5.20 0.00 3.58 2.03 -1.26 -1.87 116.55 117.83 2keo n ASP 45 Ca -0.20 -0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.06 2keo n ASP 45 Cb 0.52 -4.25 0.00 0.00 -0.72 0.00 0.00 41.12 36.67 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 -1.07 0.83 3.68 0.27 0.00 -1.26 -5.03 105.19 102.61 2keo n GLY 46 Ca -0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.11 2.52 -0.16 1.61 -0.14 -0.78 -1.04 119.74 121.64 2keo s LYS 47 Ca 0.00 -0.84 -0.09 0.00 -1.36 0.00 0.00 55.97 53.68 2keo s LYS 47 Cb 0.00 -2.53 -0.05 0.00 -1.68 0.00 0.00 37.83 33.58 2keo s LYS 47 CO 0.00 0.54 0.16 0.08 -0.76 0.00 0.00 175.35 175.37 2keo s VAL 48 N -1.29 5.43 0.10 3.17 1.01 -0.48 -1.08 120.40 127.26 2keo s VAL 48 Ca 0.25 0.25 0.03 0.00 0.00 0.00 0.00 61.98 62.50 2keo s VAL 48 Cb -0.12 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 2keo s VAL 48 CO 0.17 0.51 -0.08 -0.31 0.00 0.00 0.00 175.10 175.39 2keo s TYR 49 N -0.25 1.01 -0.29 5.22 2.02 -0.70 -2.97 117.35 121.39 2keo s TYR 49 Ca 0.12 -0.78 -0.08 0.00 -0.37 0.00 0.00 57.07 55.96 2keo s TYR 49 Cb -0.12 -0.55 -0.00 0.00 -0.40 0.00 0.00 41.96 40.89 2keo s TYR 49 CO 0.01 -0.05 0.10 0.34 -1.57 0.00 0.00 175.55 174.39 2keo s ASP 50 N -2.80 5.27 0.24 2.29 -1.08 -1.26 -2.32 116.67 117.01 2keo s ASP 50 Ca 0.10 -0.56 0.03 0.00 -0.52 0.00 0.00 52.55 51.59 2keo s ASP 50 Cb 0.01 -1.93 0.27 0.00 -1.46 0.00 0.00 42.92 39.82 2keo s ASP 50 CO -0.02 -0.17 1.59 0.40 0.52 0.00 0.00 175.17 177.49 2keo h ILE 51 N 5.74 1.34 -0.25 4.11 1.08 -1.55 -2.50 117.51 125.49 2keo h ILE 51 Ca -0.33 -1.78 -0.08 0.00 -0.39 0.00 0.00 64.86 62.28 2keo h ILE 51 Cb 1.14 1.82 -0.01 0.00 -3.07 0.00 0.00 36.82 36.71 2keo h ILE 51 CO 0.60 0.53 -0.17 0.50 -0.69 0.00 0.00 178.15 178.92 2keo h LYS 52 N 0.26 0.56 -0.56 2.37 3.64 -1.95 -1.34 116.57 119.56 2keo h LYS 52 Ca 0.01 -0.27 -0.10 0.00 -1.27 0.00 0.00 60.65 59.02 2keo h LYS 52 Cb 1.00 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.80 2keo h LYS 52 CO 0.09 0.84 -0.04 0.22 -2.27 0.00 0.00 179.45 178.29 2keo h ASP 53 N 0.28 1.00 -0.39 4.20 3.58 -1.91 -1.53 116.42 121.63 2keo h ASP 53 Ca 0.05 -0.32 0.08 0.00 0.42 0.00 0.00 57.03 57.25 2keo h ASP 53 Cb 0.71 -0.27 -0.07 0.00 1.72 0.00 0.00 39.33 41.41 2keo h ASP 53 CO 0.05 1.08 -0.08 0.15 -2.88 0.00 0.00 179.24 177.56 2keo h PHE 54 N 0.89 -0.17 -0.04 0.28 3.57 -1.36 -1.95 116.94 118.16 2keo h PHE 54 Ca 0.15 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.56 2keo h PHE 54 Cb 0.59 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.45 2keo h PHE 54 CO 0.04 -0.15 -0.56 1.96 -2.23 0.00 0.00 178.31 177.37 2keo h GLN 55 N 0.02 0.12 -0.39 1.11 1.08 -1.01 -1.10 115.11 114.94 2keo h GLN 55 Ca 0.19 -0.08 -0.06 0.00 -1.45 0.00 0.00 58.65 57.26 2keo h GLN 55 Cb 0.29 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.71 2keo h GLN 55 CO -0.39 0.65 0.00 1.15 -0.95 0.00 0.00 178.83 179.30 2keo h THR 56 N 0.09 1.21 0.00 -0.54 2.02 -1.03 -1.96 112.91 112.71 2keo h THR 56 Ca -0.00 -0.85 -0.13 0.00 0.77 0.00 0.00 66.41 66.19 2keo h THR 56 Cb 1.02 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 68.33 2keo h THR 56 CO 0.08 0.30 -0.62 1.56 0.37 0.00 0.00 175.52 177.20 2keo h GLN 57 N 0.58 0.00 0.00 6.66 1.08 -0.94 -3.15 115.11 119.34 2keo h GLN 57 Ca 0.12 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.25 2keo h GLN 57 Cb 0.36 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.78 2keo h GLN 57 CO 0.01 0.62 -0.33 0.77 -0.95 0.00 0.00 178.83 178.96 2keo h SER 58 N 0.00 0.00 0.21 1.46 0.02 -0.60 -2.81 113.55 111.83 2keo h SER 58 Ca -0.01 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 2keo h SER 58 Cb 1.23 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.76 2keo h SER 58 CO 0.08 0.33 -0.11 0.25 -1.14 0.00 0.00 176.83 176.24 2keo h LEU 59 N 0.00 0.00 -9.50 5.07 5.85 -1.33 -3.39 115.31 112.01 2keo h LEU 59 Ca -0.00 0.00 -0.53 0.00 0.84 0.00 0.00 57.88 58.19 2keo h LEU 59 Cb 0.69 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 2keo h LEU 59 CO 0.04 0.11 0.43 -0.89 -0.34 0.00 0.00 178.44 177.80 2keo s THR 60 N -4.49 4.42 0.14 1.05 2.01 -1.06 -4.97 115.64 112.73 2keo s THR 60 Ca -0.04 1.85 -0.03 0.00 0.31 0.00 0.00 61.69 63.78 2keo s THR 60 Cb 0.15 -4.18 -0.17 0.00 0.01 0.00 0.00 72.50 68.31 2keo s THR 60 CO 0.62 0.20 1.33 1.05 -0.69 0.00 0.00 174.62 177.14 2keo h GLU 61 N 6.23 0.39 -0.00 4.92 4.11 -1.87 -3.15 114.58 125.21 2keo h GLU 61 Ca -0.42 -0.40 0.00 0.00 0.07 0.00 0.00 59.36 58.61 2keo h GLU 61 Cb 1.22 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.57 2keo h GLU 61 CO 0.75 1.07 -0.00 0.27 0.07 0.00 0.00 179.01 181.17 2keo n ASN 62 N -3.75 0.01 -4.80 3.06 0.23 -1.26 -4.73 115.26 104.02 2keo n ASN 62 Ca -0.06 0.15 -0.33 0.00 -0.53 0.00 0.00 54.58 53.81 2keo n ASN 62 Cb 0.81 -0.38 -0.02 0.00 -2.08 0.00 0.00 39.78 38.11 2keo n ASN 62 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 2keo s SER 63 N -2.77 6.25 0.57 0.53 0.01 -1.19 -4.97 113.70 112.13 2keo s SER 63 Ca 0.22 1.86 0.33 0.00 1.31 0.00 0.00 55.95 59.66 2keo s SER 63 Cb 0.20 -2.55 1.74 0.00 0.21 0.00 0.00 66.02 65.62 2keo s SER 63 CO 0.50 -0.84 2.17 0.16 0.41 0.00 0.00 173.24 175.63 2keo h ILE 64 N 1.25 0.36 0.00 1.44 3.07 -1.88 -2.57 117.51 119.18 2keo h ILE 64 Ca -0.49 -0.30 0.00 0.00 1.55 0.00 0.00 64.86 65.62 2keo h ILE 64 Cb 1.22 1.22 0.00 0.00 -0.27 0.00 0.00 36.82 38.98 2keo h ILE 64 CO 0.59 0.05 0.00 0.18 -1.05 0.00 0.00 178.15 177.92 2keo n LEU 65 N -3.49 0.00 0.06 0.16 4.77 -1.26 -3.02 117.00 114.22 2keo n LEU 65 Ca -0.02 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.96 2keo n LEU 65 Cb 0.18 0.00 0.29 0.00 -2.33 0.00 0.00 43.42 41.56 2keo n LEU 65 CO 0.27 0.00 0.82 0.00 -1.33 0.00 0.00 177.39 177.15 2keo h ALA 66 N 3.66 1.31 0.00 -1.18 0.00 -1.65 -1.71 119.26 119.69 2keo h ALA 66 Ca 0.00 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 2keo h ALA 66 Cb 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2keo h ALA 66 CO 0.00 0.46 -0.23 -0.56 0.00 0.00 0.00 179.25 178.92 2keo h GLN 67 N 0.34 0.00 -0.31 0.00 3.07 -1.79 -3.21 115.11 113.21 2keo h GLN 67 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.80 2keo h GLN 67 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.07 2keo h GLN 67 CO 0.03 0.23 0.00 1.19 0.09 0.00 0.00 178.83 180.37 2keo n PHE 68 N -3.21 0.40 0.27 0.06 3.72 -1.00 -4.23 117.46 113.46 2keo n PHE 68 Ca 0.02 -0.20 0.16 0.00 -0.05 0.00 0.00 57.45 57.38 2keo n PHE 68 Cb 0.56 0.00 0.53 0.00 -0.94 0.00 0.00 39.48 39.63 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 4.44 1.00 -0.02 4.37 0.00 -1.32 -2.51 119.26 125.22 2keo h ALA 69 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2keo h ALA 69 Cb 0.88 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2keo h ALA 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2keo n GLY 70 N 0.36 0.17 3.71 0.00 0.00 -1.26 -4.95 105.19 103.22 2keo n GLY 70 Ca 0.02 -0.49 -0.24 0.00 0.00 0.00 0.00 46.02 45.31 2keo n GLY 70 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2keo s GLU 71 N -2.00 2.55 0.19 1.61 2.56 -0.94 -5.10 118.70 117.57 2keo s GLU 71 Ca 0.36 -1.17 -0.33 0.00 0.00 0.00 0.00 54.97 53.84 2keo s GLU 71 Cb 0.21 -2.38 -0.13 0.00 2.00 0.00 0.00 34.13 33.83 2keo s GLU 71 CO 0.33 0.42 1.61 -3.47 -0.56 0.00 0.00 175.26 173.58 2keo n ASP 72 N -0.66 3.40 -0.25 -1.70 -0.08 -1.26 -4.85 116.55 111.14 2keo n ASP 72 Ca -0.08 1.09 0.01 0.00 -1.51 0.00 0.00 54.79 54.29 2keo n ASP 72 Cb 0.57 -1.49 0.08 0.00 2.34 0.00 0.00 41.12 42.62 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 5.93 -0.01 -0.07 -0.67 0.11 -1.98 0.14 132.00 135.45 2keo h PRO 73 Ca -0.44 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.48 2keo h PRO 73 Cb 1.24 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.36 2keo h PRO 73 CO 0.89 -0.01 -0.68 0.28 -0.21 0.00 0.00 178.00 178.28 2keo h VAL 74 N -0.01 1.34 0.00 3.15 2.07 -1.96 -2.59 116.25 118.26 2keo h VAL 74 Ca 0.34 -1.98 -0.05 0.00 0.82 0.00 0.00 66.70 65.83 2keo h VAL 74 Cb 0.53 2.27 -0.01 0.00 -1.52 0.00 0.00 31.29 32.56 2keo h VAL 74 CO -0.75 0.60 -0.24 0.58 0.02 0.00 0.00 177.57 177.78 2keo h VAL 75 N 0.21 1.15 -0.16 2.57 2.07 -1.87 -1.48 116.25 118.73 2keo h VAL 75 Ca -0.06 -0.83 -0.16 0.00 0.82 0.00 0.00 66.70 66.46 2keo h VAL 75 Cb 1.34 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 32.55 2keo h VAL 75 CO 0.14 0.24 -0.58 0.00 0.02 0.00 0.00 177.57 177.38 2keo h ALA 76 N 1.76 0.69 -0.19 1.67 0.00 -0.66 -0.87 119.26 121.65 2keo h ALA 76 Ca -0.00 -0.53 -0.18 0.00 0.00 0.00 0.00 54.91 54.20 2keo h ALA 76 Cb 0.43 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 2keo h ALA 76 CO 0.03 0.70 -0.62 1.25 0.00 0.00 0.00 179.25 180.61 2keo h LEU 77 N 0.39 0.76 -0.50 0.00 6.46 -1.01 -0.89 115.31 120.52 2keo h LEU 77 Ca 0.00 -0.44 -0.03 0.00 -0.12 0.00 0.00 57.88 57.29 2keo h LEU 77 Cb 1.13 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 40.82 2keo h LEU 77 CO 0.11 1.19 0.18 -0.33 -0.62 0.00 0.00 178.44 178.97 2keo h GLU 78 N 0.49 0.77 -0.27 1.25 5.08 -1.18 -1.32 114.58 119.40 2keo h GLU 78 Ca -0.01 -0.15 -0.09 0.00 -1.00 0.00 0.00 59.36 58.11 2keo h GLU 78 Cb 1.20 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 2keo h GLU 78 CO 0.12 0.70 -0.23 0.00 -1.00 0.00 0.00 179.01 178.60 2keo h ALA 79 N 1.03 1.09 -0.28 3.43 0.00 -1.11 -1.50 119.26 121.93 2keo h ALA 79 Ca 0.17 -0.34 -0.13 0.00 0.00 0.00 0.00 54.91 54.61 2keo h ALA 79 Cb 0.24 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 2keo h ALA 79 CO -0.01 0.56 -0.32 0.00 0.00 0.00 0.00 179.25 179.48 2keo h ALA 80 N 1.30 0.41 -0.32 0.00 0.00 -0.97 -1.12 119.26 118.56 2keo h ALA 80 Ca 0.07 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 2keo h ALA 80 Cb 0.65 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2keo h ALA 80 CO 0.05 0.45 0.17 -0.07 0.00 0.00 0.00 179.25 179.85 2keo h LEU 81 N 0.45 0.40 -1.17 0.00 3.38 -1.15 -1.59 115.31 115.62 2keo h LEU 81 Ca 0.04 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2keo h LEU 81 Cb 0.90 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 2keo h LEU 81 CO 0.08 0.37 0.41 -0.61 0.09 0.00 0.00 178.44 178.78 2keo h GLN 82 N 0.39 0.98 -5.54 1.13 4.15 -1.22 -3.41 115.11 111.59 2keo h GLN 82 Ca 0.11 -0.10 -0.61 0.00 0.77 0.00 0.00 58.65 58.82 2keo h GLN 82 Cb 0.06 -0.20 -0.12 0.00 0.21 0.00 0.00 27.48 27.43 2keo h GLN 82 CO -0.02 0.70 0.19 0.12 -1.93 0.00 0.00 178.83 177.89 2keo s PHE 83 N -5.69 3.23 0.53 3.99 5.36 -0.43 -4.96 117.98 120.00 2keo s PHE 83 Ca -0.11 0.67 0.26 0.00 -0.96 0.00 0.00 56.93 56.79 2keo s PHE 83 Cb 0.17 -2.99 1.40 0.00 -0.34 0.00 0.00 43.02 41.26 2keo s PHE 83 CO 0.79 -0.45 1.96 1.05 -1.46 0.00 0.00 175.22 177.11 2keo h GLU 84 N 8.11 0.03 0.02 10.12 4.11 -1.81 -2.17 114.58 132.99 2keo h GLU 84 Ca -0.26 -0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.12 2keo h GLU 84 Cb 1.12 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2keo h GLU 84 CO 0.81 0.02 -0.21 0.22 0.07 0.00 0.00 179.01 179.92 2keo h ASP 85 N 0.03 0.15 0.72 3.06 3.58 -1.93 -3.37 116.42 118.67 2keo h ASP 85 Ca 0.31 -0.87 0.00 0.00 0.42 0.00 0.00 57.03 56.89 2keo h ASP 85 Cb 1.20 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 42.20 2keo h ASP 85 CO -0.01 1.01 -0.21 0.35 -2.88 0.00 0.00 179.24 177.49 2keo n THR 86 N -4.52 0.00 0.31 2.25 -2.24 -0.89 -3.75 114.28 105.44 2keo n THR 86 Ca -0.10 -0.01 0.15 0.00 -2.27 0.00 0.00 64.05 61.82 2keo n THR 86 Cb 0.52 -0.15 0.66 0.00 -2.10 0.00 0.00 70.33 69.26 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 0.07 0.00 0.00 -0.78 0.11 -0.69 -3.13 114.38 109.96 2keo h ARG 87 Ca 0.00 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.05 2keo h ARG 87 Cb 0.48 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.56 2keo h ARG 87 CO 0.00 0.00 -0.12 1.05 0.10 0.00 0.00 179.97 181.00 2keo h GLU 88 N 0.00 0.00 0.05 0.08 -0.00 -1.83 -1.75 114.58 111.13 2keo h GLU 88 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 59.36 59.11 2keo h GLU 88 Cb 0.30 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.03 2keo h GLU 88 CO 0.00 0.12 -1.24 1.03 -0.00 0.00 0.00 179.01 178.93 2keo h SER 89 N 0.00 0.17 1.13 3.06 0.87 -1.85 -3.28 113.55 113.65 2keo h SER 89 Ca -0.00 -0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 2keo h SER 89 Cb 0.45 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 2keo h SER 89 CO 0.02 1.17 0.00 0.24 -0.53 0.00 0.00 176.83 177.72 2keo h MET 90 N 0.03 0.00 -0.67 2.24 2.86 -1.57 -2.17 114.93 115.65 2keo h MET 90 Ca -0.11 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.57 2keo h MET 90 Cb 1.89 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 33.50 2keo h MET 90 CO 0.15 0.00 0.39 1.25 1.06 0.00 0.00 176.91 179.76 2keo h HIS 91 N 0.00 0.73 -0.17 -0.22 6.17 -1.40 -0.08 115.15 120.18 2keo h HIS 91 Ca 0.00 0.02 -0.21 0.00 0.71 0.00 0.00 60.37 60.90 2keo h HIS 91 Cb 0.57 -0.23 0.01 0.00 2.52 0.00 0.00 27.41 30.27 2keo h HIS 91 CO 0.00 0.38 -0.72 0.00 0.71 0.00 0.00 177.93 178.30 2keo h ALA 92 N 1.32 0.41 0.00 5.26 0.00 -1.55 -3.21 119.26 121.49 2keo h ALA 92 Ca 0.29 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2keo h ALA 92 Cb 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2keo h ALA 92 CO -0.15 0.70 0.00 0.74 0.00 0.00 0.00 179.25 180.54 2keo h PHE 93 N 0.51 0.00 -0.62 0.00 0.04 -1.27 -3.39 116.94 112.21 2keo h PHE 93 Ca -0.03 0.00 -0.37 0.00 2.80 0.00 0.00 57.97 60.37 2keo h PHE 93 Cb 1.33 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 39.43 2keo h PHE 93 CO 0.07 0.00 1.10 0.00 -0.60 0.00 0.00 178.31 178.88 2keo h VAL 95 N 6.49 1.39 -1.76 0.00 3.04 -1.75 -3.49 116.25 120.18 2keo h VAL 95 Ca 0.20 -1.94 0.20 0.00 -1.01 0.00 0.00 66.70 64.14 2keo h VAL 95 Cb 0.96 1.99 -0.04 0.00 -2.01 0.00 0.00 31.29 32.19 2keo h VAL 95 CO 1.25 0.57 0.52 0.61 -1.01 0.00 0.00 177.57 179.51 2keo n GLY 96 N 0.20 0.42 3.64 3.17 0.00 -1.26 -3.99 105.19 107.37 2keo n GLY 96 Ca -0.02 -0.96 -0.35 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 -2.01 3.14 -0.13 1.61 0.74 -0.40 -1.39 119.66 121.22 2keo s GLN 97 Ca 0.17 -0.44 -0.29 0.00 0.05 0.00 0.00 55.36 54.85 2keo s GLN 97 Cb -0.01 -2.81 -0.02 0.00 1.10 0.00 0.00 33.01 31.27 2keo s GLN 97 CO -0.00 0.59 1.28 -0.47 -0.55 0.00 0.00 175.29 176.14 2keo s TYR 98 N -0.58 2.86 -0.31 1.67 5.04 -0.21 -1.63 117.35 124.19 2keo s TYR 98 Ca 0.09 0.99 -0.11 0.00 -2.44 0.00 0.00 57.07 55.60 2keo s TYR 98 Cb -0.12 -3.52 -0.03 0.00 0.35 0.00 0.00 41.96 38.64 2keo s TYR 98 CO 0.02 -1.79 0.20 -1.17 -1.34 0.00 0.00 175.55 171.47 2keo s LEU 99 N 3.24 4.22 0.09 6.97 0.20 -0.35 -4.87 118.68 128.17 2keo s LEU 99 Ca 0.56 -0.26 -0.31 0.00 0.69 0.00 0.00 54.13 54.82 2keo s LEU 99 Cb -0.23 -2.10 -0.07 0.00 -0.43 0.00 0.00 46.19 43.35 2keo s LEU 99 CO 0.17 -0.15 1.33 -0.70 -0.29 0.00 0.00 176.35 176.72 2keo s GLU 100 N 1.72 4.35 0.59 1.98 2.12 -1.26 -4.32 118.70 123.87 2keo s GLU 100 Ca 0.06 1.97 0.28 0.00 0.36 0.00 0.00 54.97 57.64 2keo s GLU 100 Cb -0.17 -3.31 1.65 0.00 0.26 0.00 0.00 34.13 32.57 2keo s GLU 100 CO 0.10 -0.39 2.11 -1.00 -0.54 0.00 0.00 175.26 175.53 2keo h PRO 101 N 6.90 0.00 0.00 4.30 0.13 -1.98 -1.26 132.00 140.09 2keo h PRO 101 Ca -0.41 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.51 2keo h PRO 101 Cb 1.21 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 2keo h PRO 101 CO 0.85 0.00 -1.26 0.22 -0.23 0.00 0.00 178.00 177.58 2keo h ASP 102 N 0.00 0.00 -0.68 1.44 3.58 -2.02 -3.37 116.42 115.37 2keo h ASP 102 Ca 0.08 0.00 0.17 0.00 0.42 0.00 0.00 57.03 57.70 2keo h ASP 102 Cb 0.46 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.47 2keo h ASP 102 CO -0.00 0.79 0.47 -0.61 -2.88 0.00 0.00 179.24 177.01 2keo h GLN 103 N 0.00 0.15 -0.53 0.28 5.75 -1.57 -0.26 115.11 118.93 2keo h GLN 103 Ca -0.14 -0.01 -0.10 0.00 -0.15 0.00 0.00 58.65 58.25 2keo h GLN 103 Cb 1.73 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 30.22 2keo h GLN 103 CO 0.08 0.10 -0.06 0.93 -2.65 0.00 0.00 178.83 177.22 2keo h GLU 104 N 0.16 0.97 0.04 1.69 4.39 -1.73 -3.34 114.58 116.76 2keo h GLU 104 Ca 0.33 -0.34 -0.31 0.00 0.34 0.00 0.00 59.36 59.38 2keo h GLU 104 Cb 1.07 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 29.61 2keo h GLU 104 CO -0.05 1.01 -1.75 0.78 -1.16 0.00 0.00 179.01 177.84 2keo h GLY 105 N 0.84 0.08 -6.79 -3.84 0.00 -1.32 -3.45 103.07 88.59 2keo h GLY 105 Ca 0.14 -0.22 -0.56 0.00 0.00 0.00 0.00 47.33 46.69 2keo h GLY 105 CO 0.04 0.19 1.03 0.54 0.00 0.00 0.00 176.54 178.34 2keo s VAL 106 N -2.59 3.98 -0.03 4.60 0.11 -0.61 -5.00 120.40 120.86 2keo s VAL 106 Ca -0.09 0.98 0.02 0.00 -2.93 0.00 0.00 61.98 59.96 2keo s VAL 106 Cb 0.08 -4.34 0.01 0.00 -1.53 0.00 0.00 36.38 30.59 2keo s VAL 106 CO 0.81 -0.87 -0.06 0.28 -3.33 0.00 0.00 175.10 171.93 2keo s THR 107 N 5.22 0.59 -0.39 5.04 -1.32 -1.26 -4.91 115.64 118.61 2keo s THR 107 Ca 0.57 -0.24 -0.21 0.00 -1.21 0.00 0.00 61.69 60.60 2keo s THR 107 Cb -0.11 -0.55 0.01 0.00 -1.51 0.00 0.00 72.50 70.34 2keo s THR 107 CO 0.32 0.20 0.69 -0.63 -2.21 0.00 0.00 174.62 172.99 2keo s ILE 108 N 0.35 4.81 0.98 5.08 1.01 -1.26 -5.08 121.20 127.08 2keo s ILE 108 Ca -0.05 0.55 -0.16 0.00 0.00 0.00 0.00 60.65 60.99 2keo s ILE 108 Cb -0.09 -4.16 0.21 0.00 0.01 0.00 0.00 42.46 38.42 2keo s ILE 108 CO 0.00 -0.45 1.32 -2.16 0.00 0.00 0.00 174.94 173.65 2keo s PRO 109 N 2.90 0.52 0.13 2.79 0.04 -1.26 -5.05 135.00 135.07 2keo s PRO 109 Ca 0.26 -0.40 -0.30 0.00 0.04 0.00 0.00 61.00 60.60 2keo s PRO 109 Cb -0.14 -1.83 -0.06 0.00 0.04 0.00 0.00 34.50 32.51 2keo s PRO 109 CO 0.17 -2.50 1.02 0.34 0.04 0.00 0.00 177.00 176.08 2keo s ASP 110 N -4.85 7.39 0.26 6.66 2.15 -1.26 -4.79 116.67 122.23 2keo s ASP 110 Ca 0.74 1.91 0.00 0.00 0.43 0.00 0.00 52.55 55.63 2keo s ASP 110 Cb -0.04 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 39.99 2keo s ASP 110 CO 0.53 -0.14 0.00 -0.11 -0.17 0.00 0.00 175.17 175.28 2keo n LEU 111 N 2.72 -2.33 0.00 -1.34 -0.00 -1.26 -5.34 117.00 109.45 2keo n LEU 111 Ca 0.03 0.53 0.00 0.00 -0.00 0.00 0.00 56.01 56.57 2keo n LEU 111 Cb 0.48 2.36 0.00 0.00 -0.00 0.00 0.00 43.42 46.26 2keo n LEU 111 CO 0.52 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.53