#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1eei s PRO 2 N 0.00 0.97 0.00 -2.82 0.04 -1.26 -4.97 135.00 126.96 1eei s PRO 2 Ca 0.00 1.38 0.01 0.00 0.04 0.00 0.00 61.00 62.43 1eei s PRO 2 Cb 0.00 -1.73 0.02 0.00 0.04 0.00 0.00 34.50 32.82 1eei s PRO 2 CO 0.00 -2.61 0.69 1.04 0.04 0.00 0.00 177.00 176.16 1eei n GLN 3 N -4.20 0.36 -3.58 4.56 6.02 -1.26 -4.96 117.38 114.32 1eei n GLN 3 Ca 0.10 -0.88 -0.09 0.00 -0.01 0.00 0.00 57.00 56.12 1eei n GLN 3 Cb 0.53 -1.02 -0.02 0.00 1.02 0.00 0.00 30.24 30.74 1eei n GLN 3 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1eei s ASN 4 N -0.38 -0.40 0.33 1.08 2.20 -1.26 -5.05 114.94 111.47 1eei s ASN 4 Ca 0.02 -0.18 0.01 0.00 -0.94 0.00 0.00 52.86 51.76 1eei s ASN 4 Cb 0.01 0.55 0.58 0.00 -2.00 0.00 0.00 41.25 40.39 1eei s ASN 4 CO 0.01 -0.94 1.99 -0.29 -2.94 0.00 0.00 177.10 174.93 1eei h ILE 5 N 2.00 1.18 -0.08 0.54 2.10 -1.96 -0.47 117.51 120.83 1eei h ILE 5 Ca -0.26 -0.36 -0.00 0.00 1.08 0.00 0.00 64.86 65.31 1eei h ILE 5 Cb 1.27 0.23 -0.00 0.00 -1.09 0.00 0.00 36.82 37.22 1eei h ILE 5 CO 0.31 0.18 0.03 0.74 -1.08 0.00 0.00 178.15 178.34 1eei h THR 6 N 0.90 1.13 -0.42 2.19 2.02 -1.99 0.32 112.91 117.06 1eei h THR 6 Ca 0.24 -0.39 -0.10 0.00 0.77 0.00 0.00 66.41 66.93 1eei h THR 6 Cb -0.07 1.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 1eei h THR 6 CO -0.05 0.11 -0.14 0.44 0.37 0.00 0.00 175.52 176.25 1eei h ASP 7 N -0.02 0.78 -0.39 4.18 3.32 -1.91 -2.54 116.42 119.83 1eei h ASP 7 Ca 0.03 -0.25 -0.02 0.00 0.02 0.00 0.00 57.03 56.81 1eei h ASP 7 Cb 0.15 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 1eei h ASP 7 CO -0.00 0.94 0.17 0.25 -1.72 0.00 0.00 179.24 178.87 1eei h LEU 8 N 0.70 0.53 -1.00 1.55 6.46 -0.87 -3.02 115.31 119.66 1eei h LEU 8 Ca 0.11 -0.15 0.03 0.00 -0.12 0.00 0.00 57.88 57.75 1eei h LEU 8 Cb 0.64 -0.14 -0.06 0.00 -0.73 0.00 0.00 40.66 40.37 1eei h LEU 8 CO 0.04 0.54 0.66 0.00 -0.62 0.00 0.00 178.44 179.06 1eei h ALA 10 N 1.40 1.00 0.00 0.00 0.00 -1.32 -2.46 119.26 117.88 1eei h ALA 10 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1eei h ALA 10 Cb -0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1eei h ALA 10 CO -0.12 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.52 1eei n GLU 11 N -2.40 0.28 -4.45 0.00 1.02 -0.89 -4.84 120.64 109.36 1eei n GLU 11 Ca -0.01 0.06 -0.25 0.00 -0.02 0.00 0.00 57.16 56.95 1eei n GLU 11 Cb 0.10 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 29.92 1eei n GLU 11 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1eei s TYR 12 N -2.66 2.28 0.45 -0.32 1.51 -0.93 -5.14 117.35 112.54 1eei s TYR 12 Ca 0.21 -0.34 -0.12 0.00 -1.01 0.00 0.00 57.07 55.81 1eei s TYR 12 Cb 0.17 -1.03 -0.06 0.00 -0.11 0.00 0.00 41.96 40.93 1eei s TYR 12 CO 0.39 0.65 0.84 -1.01 -1.11 0.00 0.00 175.55 175.31 1eei s HIS 13 N -2.29 3.48 -1.43 2.71 3.76 -1.26 -4.33 115.29 115.94 1eei s HIS 13 Ca 0.27 1.15 -0.08 0.00 -0.15 0.00 0.00 55.06 56.25 1eei s HIS 13 Cb -0.06 -2.53 0.05 0.00 1.11 0.00 0.00 32.58 31.14 1eei s HIS 13 CO 0.13 -0.22 0.86 0.09 -0.85 0.00 0.00 174.74 174.76 1eei n ASN 14 N -1.53 -3.24 -4.38 1.40 4.13 -1.26 -4.93 115.26 105.45 1eei n ASN 14 Ca 0.03 -0.79 -0.19 0.00 1.68 0.00 0.00 54.58 55.31 1eei n ASN 14 Cb 0.54 -3.99 -0.10 0.00 -1.54 0.00 0.00 39.78 34.69 1eei n ASN 14 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1eei s THR 15 N -3.47 1.11 -0.11 3.41 -4.23 -1.26 -0.49 115.64 110.60 1eei s THR 15 Ca 0.37 -2.03 -0.30 0.00 -1.18 0.00 0.00 61.69 58.55 1eei s THR 15 Cb -0.18 -2.53 0.11 0.00 1.34 0.00 0.00 72.50 71.23 1eei s THR 15 CO 0.82 -0.18 0.92 0.00 -0.54 0.00 0.00 174.62 175.64 1eei s GLN 16 N -3.87 0.72 -0.08 3.99 -2.07 -0.62 -4.82 119.66 112.90 1eei s GLN 16 Ca 0.32 0.09 -0.12 0.00 -1.82 0.00 0.00 55.36 53.83 1eei s GLN 16 Cb 0.07 0.34 -0.05 0.00 -1.09 0.00 0.00 33.01 32.28 1eei s GLN 16 CO 0.12 -0.24 0.31 0.42 -1.32 0.00 0.00 175.29 174.57 1eei s ILE 17 N -1.47 5.24 -0.15 3.63 -1.09 -1.26 -1.23 121.20 124.88 1eei s ILE 17 Ca -0.02 0.59 -0.01 0.00 -2.23 0.00 0.00 60.65 58.98 1eei s ILE 17 Cb -0.00 -3.61 -0.01 0.00 -1.58 0.00 0.00 42.46 37.25 1eei s ILE 17 CO 0.01 0.53 -0.12 -1.00 -1.23 0.00 0.00 174.94 173.13 1eei s HIS 18 N -0.57 2.84 -0.48 3.97 3.76 -0.20 -4.96 115.29 119.64 1eei s HIS 18 Ca 0.19 -0.73 -0.16 0.00 -0.15 0.00 0.00 55.06 54.21 1eei s HIS 18 Cb -0.14 -1.89 0.08 0.00 1.11 0.00 0.00 32.58 31.73 1eei s HIS 18 CO 0.08 -0.29 0.42 0.99 -0.85 0.00 0.00 174.74 175.09 1eei s THR 19 N 0.57 5.21 -0.21 1.30 2.01 -1.26 -1.35 115.64 121.91 1eei s THR 19 Ca -0.07 -1.06 -0.20 0.00 0.31 0.00 0.00 61.69 60.67 1eei s THR 19 Cb -0.15 -4.16 -0.19 0.00 0.01 0.00 0.00 72.50 68.01 1eei s THR 19 CO 0.03 -0.62 0.17 0.18 -0.69 0.00 0.00 174.62 173.69 1eei n LEU 20 N 5.28 1.93 -3.95 4.42 7.99 0.11 -4.98 117.00 127.80 1eei n LEU 20 Ca -0.12 0.40 -0.25 0.00 -0.01 0.00 0.00 56.01 56.02 1eei n LEU 20 Cb 0.43 -0.97 -0.02 0.00 -0.11 0.00 0.00 43.42 42.76 1eei n LEU 20 CO 0.48 0.35 -0.24 0.59 -1.51 0.00 0.00 177.39 177.07 1eei n ASN 21 N -4.34 -0.32 -3.53 -1.43 3.02 0.15 -4.95 115.26 103.87 1eei n ASN 21 Ca -0.34 -1.01 -0.12 0.00 -0.03 0.00 0.00 54.58 53.08 1eei n ASN 21 Cb 0.73 -3.05 -0.04 0.00 -0.61 0.00 0.00 39.78 36.81 1eei n ASN 21 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1eei s ASP 22 N -4.37 -0.42 0.63 6.41 2.15 -0.67 -4.86 116.67 115.55 1eei s ASP 22 Ca 0.00 -0.08 -0.11 0.00 0.43 0.00 0.00 52.55 52.79 1eei s ASP 22 Cb -0.00 0.53 -0.03 0.00 -0.30 0.00 0.00 42.92 43.12 1eei s ASP 22 CO 0.89 -0.88 1.04 -1.59 -0.17 0.00 0.00 175.17 174.46 1eei s LYS 23 N -3.52 3.49 0.20 4.34 -2.85 -1.26 0.35 119.74 120.48 1eei s LYS 23 Ca 0.01 0.72 -0.30 0.00 -1.00 0.00 0.00 55.97 55.40 1eei s LYS 23 Cb 0.00 -2.07 -0.08 0.00 -2.06 0.00 0.00 37.83 33.62 1eei s LYS 23 CO -0.10 -0.65 1.14 0.42 0.10 0.00 0.00 175.35 176.26 1eei s ILE 24 N -3.20 3.69 -0.06 3.79 1.01 -1.26 -4.73 121.20 120.44 1eei s ILE 24 Ca 0.55 1.48 -0.20 0.00 0.00 0.00 0.00 60.65 62.48 1eei s ILE 24 Cb -0.11 -3.94 -0.30 0.00 0.01 0.00 0.00 42.46 38.12 1eei s ILE 24 CO 0.54 0.26 0.78 0.15 0.00 0.00 0.00 174.94 176.67 1eei h PHE 25 N 4.97 0.53 -3.55 3.97 3.57 -0.69 -3.48 116.94 122.26 1eei h PHE 25 Ca -0.45 -0.39 -0.14 0.00 3.53 0.00 0.00 57.97 60.52 1eei h PHE 25 Cb 1.21 -0.02 -0.20 0.00 2.79 0.00 0.00 35.95 39.73 1eei h PHE 25 CO 0.62 1.40 -0.49 -1.54 -2.23 0.00 0.00 178.31 176.07 1eei s SER 26 N -7.02 0.04 -0.05 0.41 1.04 -1.03 -4.96 113.70 102.14 1eei s SER 26 Ca -0.16 -0.25 0.02 0.00 0.48 0.00 0.00 55.95 56.04 1eei s SER 26 Cb 0.02 0.21 0.01 0.00 0.10 0.00 0.00 66.02 66.36 1eei s SER 26 CO 0.81 -0.39 -0.09 -0.47 0.98 0.00 0.00 173.24 174.08 1eei s TYR 27 N -1.55 1.11 0.02 5.02 6.14 -1.26 -2.06 117.35 124.76 1eei s TYR 27 Ca -0.14 -0.36 0.04 0.00 0.64 0.00 0.00 57.07 57.26 1eei s TYR 27 Cb -0.07 -0.85 -0.02 0.00 0.42 0.00 0.00 41.96 41.44 1eei s TYR 27 CO 0.01 -0.21 -0.13 0.99 0.64 0.00 0.00 175.55 176.85 1eei s THR 28 N 0.66 1.02 -0.00 4.34 2.01 0.11 -4.98 115.64 118.80 1eei s THR 28 Ca -0.12 -0.79 0.00 0.00 0.31 0.00 0.00 61.69 61.09 1eei s THR 28 Cb -0.14 -0.90 0.00 0.00 0.01 0.00 0.00 72.50 71.47 1eei s THR 28 CO 0.02 0.10 -0.01 -0.70 -0.69 0.00 0.00 174.62 173.35 1eei s GLU 29 N -0.79 0.05 -0.03 4.92 2.12 -1.26 -0.79 118.70 122.92 1eei s GLU 29 Ca 0.02 -0.02 0.03 0.00 0.36 0.00 0.00 54.97 55.36 1eei s GLU 29 Cb -0.07 -0.06 0.01 0.00 0.26 0.00 0.00 34.13 34.27 1eei s GLU 29 CO 0.00 0.01 -0.10 0.45 -0.54 0.00 0.00 175.26 175.09 1eei s SER 30 N 0.01 1.37 0.00 -1.70 0.15 -0.63 -5.00 113.70 107.89 1eei s SER 30 Ca 0.00 -0.22 0.14 0.00 0.70 0.00 0.00 55.95 56.58 1eei s SER 30 Cb -0.01 -0.43 0.32 0.00 -1.71 0.00 0.00 66.02 64.19 1eei s SER 30 CO -0.00 0.06 1.23 0.00 1.20 0.00 0.00 173.24 175.73 1eei n LEU 31 N 3.41 2.93 -4.75 3.45 -0.00 -1.26 -3.41 117.00 117.36 1eei n LEU 31 Ca -0.19 -1.72 -0.41 0.00 -0.00 0.00 0.00 56.01 53.69 1eei n LEU 31 Cb 0.53 -0.22 -0.03 0.00 -0.00 0.00 0.00 43.42 43.71 1eei n LEU 31 CO 0.25 0.69 0.93 0.00 -0.00 0.00 0.00 177.39 179.25 1eei s ALA 32 N -1.06 3.48 -0.30 1.47 0.00 -1.26 -4.84 121.76 119.25 1eei s ALA 32 Ca 0.26 1.09 -0.42 0.00 0.00 0.00 0.00 51.96 52.90 1eei s ALA 32 Cb 0.15 -3.44 -0.17 0.00 0.00 0.00 0.00 23.12 19.66 1eei s ALA 32 CO 0.20 -0.46 1.67 0.41 0.00 0.00 0.00 175.76 177.57 1eei n GLY 33 N 1.62 0.64 2.43 0.00 0.00 -1.26 -0.31 105.19 108.31 1eei n GLY 33 Ca 0.02 0.93 -0.06 0.00 0.00 0.00 0.00 46.02 46.92 1eei n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1eei n LYS 34 N 4.77 -0.93 -2.05 1.61 4.76 -1.26 -4.82 118.16 120.24 1eei n LYS 34 Ca 0.27 0.59 0.02 0.00 -2.87 0.00 0.00 58.31 56.31 1eei n LYS 34 Cb 0.09 -4.48 0.03 0.00 -1.84 0.00 0.00 35.03 28.83 1eei n LYS 34 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1eei n ARG 35 N -1.78 0.73 -2.17 1.97 5.12 0.57 -4.98 116.66 116.13 1eei n ARG 35 Ca -0.06 -2.51 -0.43 0.00 -1.93 0.00 0.00 57.85 52.93 1eei n ARG 35 Cb 0.32 -0.59 0.00 0.00 -1.16 0.00 0.00 32.46 31.03 1eei n ARG 35 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1eei n GLU 36 N -0.04 3.10 -4.01 5.56 4.71 -1.11 -4.38 120.64 124.47 1eei n GLU 36 Ca 0.04 -3.03 -0.22 0.00 -0.01 0.00 0.00 57.16 53.94 1eei n GLU 36 Cb 0.98 -3.28 -0.06 0.00 -1.01 0.00 0.00 31.44 28.07 1eei n GLU 36 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1eei n MET 37 N 6.45 0.70 -4.08 3.49 0.00 -1.22 -4.17 117.12 118.29 1eei n MET 37 Ca 0.48 -2.87 -0.13 0.00 0.00 0.00 0.00 57.70 55.18 1eei n MET 37 Cb 0.41 1.43 -0.12 0.00 0.00 0.00 0.00 33.22 34.95 1eei n MET 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1eei s ALA 38 N -2.88 0.58 -0.02 3.17 0.00 -1.17 -1.61 121.76 119.82 1eei s ALA 38 Ca 0.14 -0.72 0.02 0.00 0.00 0.00 0.00 51.96 51.41 1eei s ALA 38 Cb 0.01 0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.15 1eei s ALA 38 CO 0.10 -0.00 -0.08 0.42 0.00 0.00 0.00 175.76 176.20 1eei s ILE 39 N -1.24 0.71 0.12 0.00 1.01 0.03 -1.51 121.20 120.32 1eei s ILE 39 Ca -0.08 -0.32 0.05 0.00 0.00 0.00 0.00 60.65 60.29 1eei s ILE 39 Cb -0.09 -0.64 -0.04 0.00 0.01 0.00 0.00 42.46 41.71 1eei s ILE 39 CO 0.00 0.22 -0.12 0.27 0.00 0.00 0.00 174.94 175.31 1eei s ILE 40 N 0.20 1.21 0.05 2.92 -4.36 -0.24 0.07 121.20 121.05 1eei s ILE 40 Ca -0.03 -1.75 -0.02 0.00 -0.26 0.00 0.00 60.65 58.59 1eei s ILE 40 Cb -0.08 -1.53 -0.03 0.00 1.25 0.00 0.00 42.46 42.07 1eei s ILE 40 CO 0.00 -0.50 0.01 0.42 0.24 0.00 0.00 174.94 175.11 1eei s THR 41 N -2.39 0.18 0.16 8.37 -4.23 -0.88 -1.46 115.64 115.39 1eei s THR 41 Ca 0.09 -1.46 0.10 0.00 -1.18 0.00 0.00 61.69 59.24 1eei s THR 41 Cb -0.03 -1.17 -0.04 0.00 1.34 0.00 0.00 72.50 72.60 1eei s THR 41 CO 0.02 -0.81 -0.18 -0.36 -0.54 0.00 0.00 174.62 172.75 1eei s PHE 42 N -3.25 2.46 0.55 3.99 0.40 -0.70 0.07 117.98 121.50 1eei s PHE 42 Ca 0.01 -0.30 0.35 0.00 -0.60 0.00 0.00 56.93 56.39 1eei s PHE 42 Cb 0.03 -1.25 1.51 0.00 0.51 0.00 0.00 43.02 43.83 1eei s PHE 42 CO -0.08 0.46 1.82 1.57 0.70 0.00 0.00 175.22 179.70 1eei h LYS 43 N 3.32 0.00 0.00 0.44 -0.00 -1.90 0.24 116.57 118.67 1eei h LYS 43 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.17 1eei h LYS 43 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.42 1eei h LYS 43 CO 0.48 0.00 0.00 0.27 -0.00 0.00 0.00 179.45 180.20 1eei n ASN 44 N -4.15 0.00 0.00 7.07 6.94 -1.26 -4.87 115.26 118.99 1eei n ASN 44 Ca 0.22 -0.81 0.00 0.00 -0.02 0.00 0.00 54.58 53.98 1eei n ASN 44 Cb 1.13 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.55 1eei n ASN 44 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1eei n GLY 45 N 0.46 1.68 3.73 4.83 0.00 0.84 -5.05 105.19 111.67 1eei n GLY 45 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1eei n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1eei n ALA 46 N -1.76 2.07 -3.20 4.61 0.00 -1.24 -4.75 120.51 116.24 1eei n ALA 46 Ca 0.00 0.38 -0.27 0.00 0.00 0.00 0.00 53.44 53.55 1eei n ALA 46 Cb 0.00 -2.39 -0.16 0.00 0.00 0.00 0.00 19.45 16.89 1eei n ALA 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1eei s THR 47 N -0.21 1.42 0.07 0.00 2.01 -1.26 -1.73 115.64 115.95 1eei s THR 47 Ca 0.63 -0.67 0.04 0.00 0.31 0.00 0.00 61.69 62.00 1eei s THR 47 Cb -0.54 -1.25 -0.03 0.00 0.01 0.00 0.00 72.50 70.69 1eei s THR 47 CO 0.51 0.42 -0.11 -0.36 -0.69 0.00 0.00 174.62 174.39 1eei s PHE 48 N 0.36 1.01 0.24 4.92 0.08 -0.54 -4.08 117.98 119.98 1eei s PHE 48 Ca -0.11 -0.54 0.10 0.00 0.12 0.00 0.00 56.93 56.50 1eei s PHE 48 Cb -0.15 -0.57 -0.05 0.00 -0.57 0.00 0.00 43.02 41.68 1eei s PHE 48 CO 0.04 -0.00 -0.17 1.14 -0.10 0.00 0.00 175.22 176.13 1eei s GLN 49 N -2.06 1.50 -0.35 0.44 -2.07 -0.62 -1.08 119.66 115.42 1eei s GLN 49 Ca -0.02 -1.68 -0.05 0.00 -1.82 0.00 0.00 55.36 51.79 1eei s GLN 49 Cb -0.08 -1.44 0.06 0.00 -1.09 0.00 0.00 33.01 30.47 1eei s GLN 49 CO 0.01 0.25 0.11 0.08 -1.32 0.00 0.00 175.29 174.43 1eei s VAL 50 N -2.75 3.58 0.67 3.63 1.01 -0.57 -0.71 120.40 125.27 1eei s VAL 50 Ca 0.26 -1.36 -0.17 0.00 0.00 0.00 0.00 61.98 60.71 1eei s VAL 50 Cb -0.03 -3.12 -0.05 0.00 0.00 0.00 0.00 36.38 33.18 1eei s VAL 50 CO 0.11 -0.28 0.58 -0.62 0.00 0.00 0.00 175.10 174.89 1eei n GLU 51 N 4.75 0.42 -1.88 2.72 1.02 -1.26 -3.06 120.64 123.35 1eei n GLU 51 Ca -0.11 0.18 -0.41 0.00 -0.02 0.00 0.00 57.16 56.80 1eei n GLU 51 Cb 0.44 -1.83 -0.02 0.00 -0.02 0.00 0.00 31.44 30.01 1eei n GLU 51 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1eei s VAL 52 N -1.81 2.29 0.13 2.62 1.01 -1.26 -4.84 120.40 118.54 1eei s VAL 52 Ca 0.68 0.26 -0.31 0.00 0.00 0.00 0.00 61.98 62.60 1eei s VAL 52 Cb -0.38 -3.17 -0.11 0.00 0.00 0.00 0.00 36.38 32.72 1eei s VAL 52 CO 0.56 0.05 1.82 -2.65 0.00 0.00 0.00 175.10 174.88 1eei n PRO 53 N 1.76 2.77 -0.98 2.72 -0.02 -1.26 -4.94 135.00 135.05 1eei n PRO 53 Ca 0.06 1.01 0.00 0.00 -2.02 0.00 0.00 63.50 62.54 1eei n PRO 53 Cb 0.39 -2.89 0.00 0.00 -0.02 0.00 0.00 33.50 30.98 1eei n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1eei n GLY 54 N 4.19 3.98 0.32 -1.23 0.00 -1.26 -5.01 105.19 106.17 1eei n GLY 54 Ca 0.18 -1.38 0.20 0.00 0.00 0.00 0.00 46.02 45.02 1eei n GLY 54 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1eei h SER 55 N 0.00 0.00 0.12 1.61 0.02 -2.02 -0.48 113.55 112.79 1eei h SER 55 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1eei h SER 55 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1eei h SER 55 CO 0.00 0.01 -0.00 0.00 -1.14 0.00 0.00 176.83 175.69 1eei n GLN 56 N -3.31 0.91 -4.47 3.45 0.00 -1.26 -4.76 117.38 107.95 1eei n GLN 56 Ca -0.03 -0.05 -0.34 0.00 0.00 0.00 0.00 57.00 56.58 1eei n GLN 56 Cb 0.09 -1.50 -0.13 0.00 0.00 0.00 0.00 30.24 28.70 1eei n GLN 56 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 1eei s HIS 57 N -2.12 2.94 0.71 2.61 3.76 -0.19 -5.11 115.29 117.89 1eei s HIS 57 Ca 0.43 -0.51 -0.11 0.00 -0.15 0.00 0.00 55.06 54.72 1eei s HIS 57 Cb 0.22 -1.94 0.02 0.00 1.11 0.00 0.00 32.58 31.99 1eei s HIS 57 CO 0.39 -0.17 1.07 0.96 -0.85 0.00 0.00 174.74 176.14 1eei s ILE 58 N 0.52 3.81 0.25 0.60 -4.36 -1.26 -4.85 121.20 115.91 1eei s ILE 58 Ca -0.05 0.60 -0.02 0.00 -0.26 0.00 0.00 60.65 60.91 1eei s ILE 58 Cb -0.15 -3.26 0.24 0.00 1.25 0.00 0.00 42.46 40.54 1eei s ILE 58 CO 0.03 -0.75 1.72 0.44 0.24 0.00 0.00 174.94 176.62 1eei h ASP 59 N -0.78 0.28 -0.04 4.36 3.32 -1.99 0.35 116.42 121.93 1eei h ASP 59 Ca -0.44 0.12 0.01 0.00 0.02 0.00 0.00 57.03 56.74 1eei h ASP 59 Cb 1.22 0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.87 1eei h ASP 59 CO 0.55 0.08 0.07 0.77 -1.72 0.00 0.00 179.24 178.99 1eei h SER 60 N 0.44 0.00 1.73 6.45 4.64 -2.05 -0.26 113.55 124.50 1eei h SER 60 Ca 0.45 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.73 1eei h SER 60 Cb 0.72 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.80 1eei h SER 60 CO -0.43 0.00 -0.27 1.56 -0.87 0.00 0.00 176.83 176.81 1eei h GLN 61 N 0.00 0.00 -0.19 4.77 4.20 -0.63 -3.38 115.11 119.88 1eei h GLN 61 Ca 0.02 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.78 1eei h GLN 61 Cb 0.16 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.89 1eei h GLN 61 CO -0.00 0.16 -0.14 0.87 -0.67 0.00 0.00 178.83 179.05 1eei h LYS 62 N 0.00 -0.13 -0.59 1.46 1.79 -0.98 -0.82 116.57 117.30 1eei h LYS 62 Ca -0.01 0.01 -0.06 0.00 -2.18 0.00 0.00 60.65 58.41 1eei h LYS 62 Cb 1.14 0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 31.79 1eei h LYS 62 CO 0.02 -0.09 0.14 0.87 -1.08 0.00 0.00 179.45 179.31 1eei h LYS 63 N -0.14 0.92 -0.34 3.15 1.57 -1.73 -2.69 116.57 117.31 1eei h LYS 63 Ca 0.11 -0.20 -0.04 0.00 -1.87 0.00 0.00 60.65 58.65 1eei h LYS 63 Cb 0.30 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 1eei h LYS 63 CO -0.27 0.83 0.03 0.00 -0.57 0.00 0.00 179.45 179.47 1eei h ALA 64 N 1.26 1.42 -0.48 3.86 0.00 -1.54 0.48 119.26 124.26 1eei h ALA 64 Ca 0.19 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1eei h ALA 64 Cb 0.33 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1eei h ALA 64 CO 0.00 0.41 0.03 0.82 0.00 0.00 0.00 179.25 180.52 1eei h ILE 65 N 0.50 1.26 -0.46 0.00 2.04 -0.84 0.97 117.51 120.98 1eei h ILE 65 Ca 0.11 -1.00 -0.10 0.00 1.00 0.00 0.00 64.86 64.87 1eei h ILE 65 Cb 0.27 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 1eei h ILE 65 CO 0.00 0.35 -0.11 -0.33 0.00 0.00 0.00 178.15 178.07 1eei h GLU 66 N 0.68 0.83 -0.54 2.37 4.39 -1.23 -2.37 114.58 118.71 1eei h GLU 66 Ca 0.14 -0.28 -0.04 0.00 0.34 0.00 0.00 59.36 59.52 1eei h GLU 66 Cb 0.46 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 1eei h GLU 66 CO 0.02 0.90 0.18 -0.09 -1.16 0.00 0.00 179.01 178.86 1eei h ARG 67 N 0.75 0.84 -0.78 2.33 2.43 -0.52 -2.52 114.38 116.91 1eei h ARG 67 Ca 0.13 -0.17 0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1eei h ARG 67 Cb 0.60 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.99 1eei h ARG 67 CO 0.04 0.76 0.51 1.98 -1.51 0.00 0.00 179.97 181.75 1eei h MET 68 N 0.75 1.00 -0.57 0.20 4.05 -0.32 -0.64 114.93 119.39 1eei h MET 68 Ca 0.18 -0.06 -0.10 0.00 -0.28 0.00 0.00 59.70 59.44 1eei h MET 68 Cb 0.26 -0.22 -0.02 0.00 -0.80 0.00 0.00 31.60 30.82 1eei h MET 68 CO -0.01 0.66 -0.04 0.87 0.23 0.00 0.00 176.91 178.62 1eei h LYS 69 N 1.03 1.01 -0.45 0.39 1.57 -1.10 -1.45 116.57 117.57 1eei h LYS 69 Ca 0.29 -0.33 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1eei h LYS 69 Cb -0.08 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 1eei h LYS 69 CO -0.07 1.02 0.23 -0.44 -0.57 0.00 0.00 179.45 179.62 1eei h ASP 70 N 0.92 0.58 0.12 0.86 3.32 -0.78 -1.34 116.42 120.09 1eei h ASP 70 Ca 0.16 -0.11 0.01 0.00 0.02 0.00 0.00 57.03 57.10 1eei h ASP 70 Cb 0.59 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 1eei h ASP 70 CO 0.04 0.53 -0.12 0.74 -1.72 0.00 0.00 179.24 178.70 1eei h THR 71 N 0.59 0.72 -0.96 0.35 2.02 -0.98 -1.54 112.91 113.12 1eei h THR 71 Ca 0.16 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.36 1eei h THR 71 Cb 0.09 0.72 -0.05 0.00 -1.74 0.00 0.00 68.15 67.17 1eei h THR 71 CO -0.02 0.00 0.63 -0.07 0.37 0.00 0.00 175.52 176.43 1eei h LEU 72 N -0.27 1.08 -0.14 2.58 3.38 -1.04 0.29 115.31 121.19 1eei h LEU 72 Ca 0.01 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1eei h LEU 72 Cb 0.26 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1eei h LEU 72 CO -0.04 0.76 0.04 -0.09 0.09 0.00 0.00 178.44 179.20 1eei h ARG 73 N 1.26 0.23 -0.04 1.13 2.43 -1.01 0.16 114.38 118.53 1eei h ARG 73 Ca 0.37 -0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 59.36 1eei h ARG 73 Cb -0.08 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 1eei h ARG 73 CO -0.10 0.36 -0.57 0.97 -1.51 0.00 0.00 179.97 179.12 1eei h ILE 74 N 0.05 1.39 -0.41 1.20 6.09 -0.87 -1.22 117.51 123.74 1eei h ILE 74 Ca 0.05 -1.94 -0.07 0.00 -1.37 0.00 0.00 64.86 61.53 1eei h ILE 74 Cb 0.23 2.00 -0.01 0.00 0.47 0.00 0.00 36.82 39.51 1eei h ILE 74 CO -0.00 0.56 -0.02 0.00 -3.07 0.00 0.00 178.15 175.62 1eei h ALA 75 N 1.32 0.55 0.30 0.18 0.00 -0.28 -0.57 119.26 120.76 1eei h ALA 75 Ca -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1eei h ALA 75 Cb 1.04 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1eei h ALA 75 CO 0.08 0.36 -0.29 -0.92 0.00 0.00 0.00 179.25 178.48 1eei h TYR 76 N 0.56 -0.78 -0.82 0.00 3.20 -0.34 -1.53 116.97 117.26 1eei h TYR 76 Ca 0.11 0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.08 1eei h TYR 76 Cb 0.51 0.30 -0.06 0.00 1.54 0.00 0.00 36.73 39.03 1eei h TYR 76 CO 0.04 -0.42 0.54 -0.07 -1.64 0.00 0.00 178.16 176.60 1eei h LEU 77 N -0.62 0.71 -1.17 2.82 3.38 -1.06 -2.41 115.31 116.96 1eei h LEU 77 Ca -0.01 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1eei h LEU 77 Cb 0.57 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1eei h LEU 77 CO -0.06 0.43 0.00 0.35 0.09 0.00 0.00 178.44 179.25 1eei n THR 78 N -4.51 0.15 -2.02 0.22 -2.24 -0.24 -4.91 114.28 100.73 1eei n THR 78 Ca 0.14 -0.34 -0.20 0.00 -2.27 0.00 0.00 64.05 61.38 1eei n THR 78 Cb 0.31 0.50 -0.04 0.00 -2.10 0.00 0.00 70.33 68.99 1eei n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1eei n GLU 79 N 0.38 -1.61 -1.74 -0.78 1.02 -0.64 -4.90 120.64 112.37 1eei n GLU 79 Ca 0.17 1.05 -0.42 0.00 -0.02 0.00 0.00 57.16 57.94 1eei n GLU 79 Cb 0.37 -5.57 -0.01 0.00 -0.02 0.00 0.00 31.44 26.20 1eei n GLU 79 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1eei n ALA 80 N -0.54 2.38 -2.42 0.62 0.00 -0.82 -4.64 120.51 115.09 1eei n ALA 80 Ca -0.22 0.37 -0.43 0.00 0.00 0.00 0.00 53.44 53.17 1eei n ALA 80 Cb 0.66 -2.44 -0.02 0.00 0.00 0.00 0.00 19.45 17.65 1eei n ALA 80 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1eei s LYS 81 N -0.73 4.26 -0.27 0.00 2.20 -1.26 -4.25 119.74 119.69 1eei s LYS 81 Ca 0.63 1.68 -0.22 0.00 -0.36 0.00 0.00 55.97 57.70 1eei s LYS 81 Cb -0.51 -3.72 -0.01 0.00 -1.51 0.00 0.00 37.83 32.08 1eei s LYS 81 CO 0.51 -0.65 0.69 0.08 -0.36 0.00 0.00 175.35 175.62 1eei s VAL 82 N 3.19 4.92 -0.02 4.02 1.01 0.15 -3.15 120.40 130.53 1eei s VAL 82 Ca 0.56 1.18 -0.02 0.00 0.00 0.00 0.00 61.98 63.70 1eei s VAL 82 Cb -0.23 -4.01 -0.01 0.00 0.00 0.00 0.00 36.38 32.13 1eei s VAL 82 CO 0.17 -0.06 0.27 -0.08 0.00 0.00 0.00 175.10 175.40 1eei h GLU 83 N 7.93 -0.08 -4.71 2.72 4.81 -1.25 0.46 114.58 124.46 1eei h GLU 83 Ca -0.26 0.01 -0.25 0.00 -0.13 0.00 0.00 59.36 58.73 1eei h GLU 83 Cb 1.11 0.02 -0.16 0.00 0.63 0.00 0.00 28.75 30.35 1eei h GLU 83 CO 0.81 -0.05 -0.71 0.15 -0.73 0.00 0.00 179.01 178.48 1eei s LYS 84 N -1.76 0.82 -0.05 1.92 1.02 -1.14 0.04 119.74 120.59 1eei s LYS 84 Ca -0.01 -1.26 0.03 0.00 0.02 0.00 0.00 55.97 54.74 1eei s LYS 84 Cb 0.00 -0.28 0.01 0.00 -0.52 0.00 0.00 37.83 37.04 1eei s LYS 84 CO 0.04 0.01 -0.12 -0.51 -0.92 0.00 0.00 175.35 173.84 1eei s LEU 85 N -2.83 1.74 -0.25 3.17 1.43 -0.46 -1.46 118.68 120.02 1eei s LEU 85 Ca 0.09 -0.27 -0.11 0.00 -1.03 0.00 0.00 54.13 52.82 1eei s LEU 85 Cb 0.03 -0.75 -0.05 0.00 0.03 0.00 0.00 46.19 45.44 1eei s LEU 85 CO -0.03 0.07 0.18 0.00 0.23 0.00 0.00 176.35 176.80 1eei s VAL 87 N 1.23 1.19 -0.19 0.00 -7.23 -0.36 0.10 120.40 115.14 1eei s VAL 87 Ca 0.08 -1.92 -0.20 0.00 -1.81 0.00 0.00 61.98 58.12 1eei s VAL 87 Cb -0.14 -1.70 -0.03 0.00 0.56 0.00 0.00 36.38 35.07 1eei s VAL 87 CO 0.06 -0.64 0.61 0.26 -0.31 0.00 0.00 175.10 175.09 1eei s TRP 88 N -2.90 3.38 -1.20 2.82 0.51 0.12 -1.59 118.94 120.09 1eei s TRP 88 Ca 0.13 0.91 0.27 0.00 -2.12 0.00 0.00 56.10 55.30 1eei s TRP 88 Cb -0.00 -2.78 0.84 0.00 -0.81 0.00 0.00 33.47 30.72 1eei s TRP 88 CO 0.01 -0.15 1.64 0.27 -0.51 0.00 0.00 176.95 178.21 1eei n ASN 89 N 4.96 0.43 -1.25 2.95 0.23 0.36 -2.38 115.26 120.56 1eei n ASN 89 Ca -0.02 -0.19 -0.05 0.00 -0.53 0.00 0.00 54.58 53.79 1eei n ASN 89 Cb 0.50 -0.00 0.05 0.00 -2.08 0.00 0.00 39.78 38.25 1eei n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1eei n ASN 90 N -1.31 3.07 -3.88 0.53 6.94 -1.26 -4.78 115.26 114.57 1eei n ASN 90 Ca 0.08 -2.38 -0.10 0.00 -0.02 0.00 0.00 54.58 52.16 1eei n ASN 90 Cb 0.33 -0.58 -0.09 0.00 -2.36 0.00 0.00 39.78 37.08 1eei n ASN 90 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1eei s LYS 91 N -0.88 0.58 -0.14 -3.83 -0.14 -1.25 -5.08 119.74 109.01 1eei s LYS 91 Ca 0.14 -0.58 -0.02 0.00 -1.36 0.00 0.00 55.97 54.15 1eei s LYS 91 Cb 0.12 0.24 0.04 0.00 -1.68 0.00 0.00 37.83 36.55 1eei s LYS 91 CO 0.03 -0.15 0.01 0.99 -0.76 0.00 0.00 175.35 175.47 1eei s THR 92 N -2.11 0.53 1.03 2.17 2.01 -1.26 -2.66 115.64 115.35 1eei s THR 92 Ca -0.09 -0.27 -0.12 0.00 0.31 0.00 0.00 61.69 61.52 1eei s THR 92 Cb -0.04 -0.85 0.21 0.00 0.01 0.00 0.00 72.50 71.83 1eei s THR 92 CO -0.02 0.03 1.07 -2.84 -0.69 0.00 0.00 174.62 172.18 1eei s PRO 93 N 1.88 0.18 0.33 4.92 0.02 -1.26 -5.06 135.00 136.00 1eei s PRO 93 Ca 0.02 0.93 -0.29 0.00 0.02 0.00 0.00 61.00 61.68 1eei s PRO 93 Cb -0.15 -1.67 -0.11 0.00 0.02 0.00 0.00 34.50 32.59 1eei s PRO 93 CO -0.07 -3.01 1.44 -1.01 -0.33 0.00 0.00 177.00 174.02 1eei s HIS 94 N -2.68 2.81 -0.13 6.54 3.76 -1.09 -4.66 115.29 119.84 1eei s HIS 94 Ca 0.66 1.16 -0.17 0.00 -0.15 0.00 0.00 55.06 56.56 1eei s HIS 94 Cb -0.22 -3.90 -0.04 0.00 1.11 0.00 0.00 32.58 29.53 1eei s HIS 94 CO 0.60 -2.71 0.43 0.00 -0.85 0.00 0.00 174.74 172.22 1eei s ALA 95 N -0.79 3.51 0.10 -1.40 0.00 -1.00 -1.58 121.76 120.60 1eei s ALA 95 Ca 0.54 -0.27 -0.31 0.00 0.00 0.00 0.00 51.96 51.92 1eei s ALA 95 Cb -0.44 -2.59 -0.08 0.00 0.00 0.00 0.00 23.12 20.01 1eei s ALA 95 CO 0.55 -0.00 1.52 0.42 0.00 0.00 0.00 175.76 178.25 1eei s ILE 96 N 0.64 3.07 -0.20 0.00 1.01 0.12 0.16 121.20 126.00 1eei s ILE 96 Ca 0.23 0.68 0.04 0.00 0.00 0.00 0.00 60.65 61.60 1eei s ILE 96 Cb -0.15 -3.43 -0.15 0.00 0.01 0.00 0.00 42.46 38.74 1eei s ILE 96 CO 0.09 0.03 -0.14 0.00 0.00 0.00 0.00 174.94 174.91 1eei n ALA 97 N 4.59 1.55 -3.50 9.38 0.00 0.29 -4.86 120.51 127.96 1eei n ALA 97 Ca 0.14 -0.94 -0.09 0.00 0.00 0.00 0.00 53.44 52.54 1eei n ALA 97 Cb 0.41 -0.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.82 1eei n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1eei s ALA 98 N -2.42 -1.18 -0.01 0.00 0.00 -0.70 -4.96 121.76 112.48 1eei s ALA 98 Ca -0.25 -0.08 -0.03 0.00 0.00 0.00 0.00 51.96 51.61 1eei s ALA 98 Cb 0.07 0.87 0.00 0.00 0.00 0.00 0.00 23.12 24.06 1eei s ALA 98 CO 0.52 -0.87 0.06 -1.50 0.00 0.00 0.00 175.76 173.97 1eei s ILE 99 N -3.86 0.03 -0.03 0.00 2.07 -1.26 -0.71 121.20 117.44 1eei s ILE 99 Ca 0.08 -0.27 0.04 0.00 -1.41 0.00 0.00 60.65 59.09 1eei s ILE 99 Cb -0.03 -0.18 -0.00 0.00 0.13 0.00 0.00 42.46 42.38 1eei s ILE 99 CO -0.02 -0.15 -0.15 -0.94 -1.91 0.00 0.00 174.94 171.77 1eei s SER 100 N -0.45 1.89 -0.06 4.50 1.04 -0.54 -5.01 113.70 115.07 1eei s SER 100 Ca -0.05 -0.30 0.04 0.00 0.48 0.00 0.00 55.95 56.12 1eei s SER 100 Cb -0.03 -0.47 0.00 0.00 0.10 0.00 0.00 66.02 65.62 1eei s SER 100 CO 0.00 0.14 -0.19 -0.04 0.98 0.00 0.00 173.24 174.13 1eei s MET 101 N 0.01 2.16 0.14 4.02 -1.94 -1.26 -0.88 119.30 121.55 1eei s MET 101 Ca -0.02 -0.67 -0.24 0.00 -1.71 0.00 0.00 55.69 53.05 1eei s MET 101 Cb -0.10 -1.77 0.07 0.00 2.01 0.00 0.00 34.83 35.03 1eei s MET 101 CO 0.01 0.20 0.75 0.00 -0.01 0.00 0.00 175.02 175.97 1eei s ALA 102 N 0.23 -1.59 0.00 3.03 0.00 -1.19 -4.86 121.76 117.38 1eei s ALA 102 Ca -0.10 0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.28 1eei s ALA 102 Cb -0.14 0.72 0.00 0.00 0.00 0.00 0.00 23.12 23.70 1eei s ALA 102 CO 0.04 -0.84 0.00 0.09 0.00 0.00 0.00 175.76 175.05