#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 2.80 0.00 -2.82 0.04 -1.26 -4.96 135.00 128.80 1eei s PRO 2 Ca 0.00 2.16 0.09 0.00 0.04 0.00 0.00 61.00 63.29 1eei s PRO 2 Cb 0.00 -2.03 0.09 0.00 0.04 0.00 0.00 34.50 32.60 1eei s PRO 2 CO 0.00 -1.43 0.82 1.04 0.04 0.00 0.00 177.00 177.47 1eei n GLN 3 N -1.53 0.47 -3.66 4.56 6.02 -1.26 -4.97 117.38 117.01 1eei n GLN 3 Ca 0.13 -1.12 -0.10 0.00 -0.01 0.00 0.00 57.00 55.91 1eei n GLN 3 Cb 0.47 -1.18 -0.03 0.00 1.02 0.00 0.00 30.24 30.51 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 -0.78 -0.34 0.36 1.08 2.20 -1.26 -5.06 114.94 111.14 1eei s ASN 4 Ca 0.11 -0.35 0.05 0.00 -0.94 0.00 0.00 52.86 51.73 1eei s ASN 4 Cb 0.08 0.59 0.69 0.00 -2.00 0.00 0.00 41.25 40.61 1eei s ASN 4 CO 0.12 -1.05 1.96 -0.29 -2.94 0.00 0.00 177.10 174.90 1eei h ILE 5 N 2.14 1.16 -0.07 0.54 2.10 -1.96 -2.24 117.51 119.18 1eei h ILE 5 Ca -0.29 -0.51 -0.01 0.00 1.08 0.00 0.00 64.86 65.12 1eei h ILE 5 Cb 1.27 0.68 -0.00 0.00 -1.09 0.00 0.00 36.82 37.68 1eei h ILE 5 CO 0.37 0.20 0.01 0.74 -1.08 0.00 0.00 178.15 178.38 1eei h THR 6 N 0.58 1.22 -0.47 2.19 2.02 -1.99 0.74 112.91 117.20 1eei h THR 6 Ca 0.14 -0.67 -0.04 0.00 0.77 0.00 0.00 66.41 66.61 1eei h THR 6 Cb 0.13 1.54 -0.02 0.00 -1.74 0.00 0.00 68.15 68.06 1eei h THR 6 CO -0.01 0.19 0.11 0.44 0.37 0.00 0.00 175.52 176.61 1eei h ASP 7 N -0.14 0.66 0.00 4.18 3.32 -1.96 -1.49 116.42 120.99 1eei h ASP 7 Ca 0.02 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 1eei h ASP 7 Cb 0.29 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1eei h ASP 7 CO 0.00 0.66 -0.00 0.25 -1.72 0.00 0.00 179.24 178.43 1eei h LEU 8 N 0.69 -0.00 -0.71 1.55 6.46 -1.18 -2.96 115.31 119.16 1eei h LEU 8 Ca 0.15 -0.21 0.09 0.00 -0.12 0.00 0.00 57.88 57.80 1eei h LEU 8 Cb 0.27 0.00 -0.07 0.00 -0.73 0.00 0.00 40.66 40.13 1eei h LEU 8 CO -0.00 0.20 0.36 0.00 -0.62 0.00 0.00 178.44 178.38 1eei n ALA 10 N -2.40 1.08 1.06 0.00 0.00 -0.62 -1.45 120.51 118.17 1eei n ALA 10 Ca 0.11 0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.72 1eei n ALA 10 Cb 0.27 -1.09 0.62 0.00 0.00 0.00 0.00 19.45 19.24 1eei n ALA 10 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1eei n GLU 11 N -1.66 0.12 -4.45 0.00 1.02 -0.32 -4.86 120.64 110.48 1eei n GLU 11 Ca 0.00 0.03 -0.23 0.00 -0.02 0.00 0.00 57.16 56.94 1eei n GLU 11 Cb 0.03 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 29.85 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 -2.87 2.17 0.55 -0.32 1.51 -0.53 -5.14 117.35 112.72 1eei s TYR 12 Ca 0.17 -0.40 -0.06 0.00 -1.01 0.00 0.00 57.07 55.77 1eei s TYR 12 Cb 0.18 -0.98 -0.02 0.00 -0.11 0.00 0.00 41.96 41.03 1eei s TYR 12 CO 0.48 0.63 0.87 -1.01 -1.11 0.00 0.00 175.55 175.40 1eei s HIS 13 N -2.62 3.44 -1.38 2.71 3.76 -1.26 -4.30 115.29 115.64 1eei s HIS 13 Ca 0.29 0.81 -0.08 0.00 -0.15 0.00 0.00 55.06 55.93 1eei s HIS 13 Cb -0.03 -2.55 0.05 0.00 1.11 0.00 0.00 32.58 31.16 1eei s HIS 13 CO 0.13 -0.57 0.54 0.09 -0.85 0.00 0.00 174.74 174.09 1eei n ASN 14 N -2.47 -4.57 -4.51 1.40 5.03 -1.26 -4.92 115.26 103.97 1eei n ASN 14 Ca 0.03 -0.36 -0.24 0.00 0.87 0.00 0.00 54.58 54.88 1eei n ASN 14 Cb 0.56 -3.74 -0.11 0.00 -1.02 0.00 0.00 39.78 35.48 1eei n ASN 14 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1eei s THR 15 N -3.02 1.81 -0.03 3.41 -4.23 -1.26 0.86 115.64 113.18 1eei s THR 15 Ca 0.37 -2.09 -0.29 0.00 -1.18 0.00 0.00 61.69 58.51 1eei s THR 15 Cb -0.19 -2.71 0.10 0.00 1.34 0.00 0.00 72.50 71.04 1eei s THR 15 CO 0.46 -0.14 0.82 0.00 -0.54 0.00 0.00 174.62 175.22 1eei s GLN 16 N -3.72 0.89 -0.13 3.99 -2.07 0.11 -4.76 119.66 113.96 1eei s GLN 16 Ca 0.33 -0.07 -0.16 0.00 -1.82 0.00 0.00 55.36 53.64 1eei s GLN 16 Cb 0.06 0.41 -0.04 0.00 -1.09 0.00 0.00 33.01 32.35 1eei s GLN 16 CO 0.15 -0.34 0.39 0.42 -1.32 0.00 0.00 175.29 174.59 1eei s ILE 17 N -2.21 5.24 -0.19 3.63 -1.09 -1.26 -0.82 121.20 124.50 1eei s ILE 17 Ca -0.01 0.76 -0.04 0.00 -2.23 0.00 0.00 60.65 59.13 1eei s ILE 17 Cb -0.01 -3.73 -0.02 0.00 -1.58 0.00 0.00 42.46 37.13 1eei s ILE 17 CO -0.02 0.36 -0.04 -1.00 -1.23 0.00 0.00 174.94 173.01 1eei s HIS 18 N 0.50 2.98 -0.39 3.97 3.76 -0.01 -4.94 115.29 121.16 1eei s HIS 18 Ca 0.21 -0.58 -0.16 0.00 -0.15 0.00 0.00 55.06 54.39 1eei s HIS 18 Cb -0.14 -2.03 0.01 0.00 1.11 0.00 0.00 32.58 31.53 1eei s HIS 18 CO 0.07 -0.28 0.36 0.99 -0.85 0.00 0.00 174.74 175.04 1eei s THR 19 N 0.91 5.17 -0.27 1.30 2.01 -1.26 -1.30 115.64 122.20 1eei s THR 19 Ca -0.00 -0.30 -0.09 0.00 0.31 0.00 0.00 61.69 61.60 1eei s THR 19 Cb -0.15 -3.92 -0.13 0.00 0.01 0.00 0.00 72.50 68.31 1eei s THR 19 CO 0.01 -0.26 -0.32 0.18 -0.69 0.00 0.00 174.62 173.54 1eei n LEU 20 N 5.38 2.24 -3.98 4.42 7.99 -0.22 -5.00 117.00 127.84 1eei n LEU 20 Ca -0.09 0.20 -0.28 0.00 -0.01 0.00 0.00 56.01 55.83 1eei n LEU 20 Cb 0.48 -0.84 -0.02 0.00 -0.11 0.00 0.00 43.42 42.93 1eei n LEU 20 CO 0.42 0.68 -0.25 0.59 -1.51 0.00 0.00 177.39 177.32 1eei n ASN 21 N -3.95 -0.79 -3.46 -1.43 3.02 0.53 -4.94 115.26 104.24 1eei n ASN 21 Ca -0.52 -1.06 -0.13 0.00 -0.03 0.00 0.00 54.58 52.85 1eei n ASN 21 Cb 0.91 -2.83 -0.03 0.00 -0.61 0.00 0.00 39.78 37.23 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 -4.25 -0.54 0.68 6.41 2.15 -0.76 -4.88 116.67 115.47 1eei s ASP 22 Ca 0.07 0.08 -0.11 0.00 0.43 0.00 0.00 52.55 53.02 1eei s ASP 22 Cb -0.03 0.57 0.00 0.00 -0.30 0.00 0.00 42.92 43.17 1eei s ASP 22 CO 0.90 -0.90 1.06 -1.59 -0.17 0.00 0.00 175.17 174.47 1eei s LYS 23 N -3.34 3.03 0.09 4.34 -2.85 -1.26 -0.31 119.74 119.44 1eei s LYS 23 Ca -0.01 0.94 -0.30 0.00 -1.00 0.00 0.00 55.97 55.60 1eei s LYS 23 Cb -0.01 -2.00 -0.06 0.00 -2.06 0.00 0.00 37.83 33.70 1eei s LYS 23 CO -0.09 -1.03 1.20 0.42 0.10 0.00 0.00 175.35 175.95 1eei s ILE 24 N -3.04 3.92 0.02 3.79 1.01 -1.26 -4.76 121.20 120.88 1eei s ILE 24 Ca 0.58 1.43 -0.17 0.00 0.00 0.00 0.00 60.65 62.48 1eei s ILE 24 Cb -0.14 -3.91 -0.31 0.00 0.01 0.00 0.00 42.46 38.11 1eei s ILE 24 CO 0.54 0.14 1.02 0.15 0.00 0.00 0.00 174.94 176.79 1eei h PHE 25 N 6.47 0.87 -3.49 3.97 3.57 -0.77 -3.47 116.94 124.08 1eei h PHE 25 Ca -0.42 -0.58 -0.14 0.00 3.53 0.00 0.00 57.97 60.36 1eei h PHE 25 Cb 1.21 -0.05 -0.20 0.00 2.79 0.00 0.00 35.95 39.70 1eei h PHE 25 CO 0.66 1.44 -0.47 -1.54 -2.23 0.00 0.00 178.31 176.17 1eei s SER 26 N -7.31 0.02 -0.06 0.41 1.04 -1.06 -4.95 113.70 101.79 1eei s SER 26 Ca -0.11 -0.22 0.02 0.00 0.48 0.00 0.00 55.95 56.13 1eei s SER 26 Cb 0.04 0.22 0.01 0.00 0.10 0.00 0.00 66.02 66.39 1eei s SER 26 CO 0.90 -0.40 -0.13 -0.47 0.98 0.00 0.00 173.24 174.12 1eei s TYR 27 N -1.56 1.49 -0.05 5.02 5.04 -1.26 -1.84 117.35 124.18 1eei s TYR 27 Ca -0.13 -0.53 0.01 0.00 -2.44 0.00 0.00 57.07 53.97 1eei s TYR 27 Cb -0.06 -1.08 0.02 0.00 0.35 0.00 0.00 41.96 41.19 1eei s TYR 27 CO 0.01 -0.27 -0.06 0.99 -1.34 0.00 0.00 175.55 174.89 1eei s THR 28 N 0.59 0.63 -0.02 4.34 2.01 0.49 -4.99 115.64 118.69 1eei s THR 28 Ca -0.14 -0.17 0.04 0.00 0.31 0.00 0.00 61.69 61.74 1eei s THR 28 Cb -0.15 -0.65 -0.01 0.00 0.01 0.00 0.00 72.50 71.70 1eei s THR 28 CO 0.04 0.25 -0.15 -0.70 -0.69 0.00 0.00 174.62 173.37 1eei s GLU 29 N 0.95 1.36 -0.02 4.92 2.12 -1.26 0.62 118.70 127.39 1eei s GLU 29 Ca -0.10 -0.52 0.04 0.00 0.36 0.00 0.00 54.97 54.74 1eei s GLU 29 Cb -0.14 -1.26 -0.01 0.00 0.26 0.00 0.00 34.13 32.98 1eei s GLU 29 CO 0.00 0.26 -0.13 0.45 -0.54 0.00 0.00 175.26 175.30 1eei s SER 30 N -0.13 1.58 0.00 -1.70 0.15 -0.30 -4.99 113.70 108.31 1eei s SER 30 Ca 0.01 -0.25 0.12 0.00 0.70 0.00 0.00 55.95 56.54 1eei s SER 30 Cb -0.08 -0.28 0.03 0.00 -1.71 0.00 0.00 66.02 63.98 1eei s SER 30 CO 0.00 0.14 0.76 0.00 1.20 0.00 0.00 173.24 175.35 1eei n LEU 31 N 2.94 1.55 -4.68 3.45 -0.00 -1.26 -2.62 117.00 116.37 1eei n LEU 31 Ca -0.16 -0.83 -0.44 0.00 -0.00 0.00 0.00 56.01 54.58 1eei n LEU 31 Cb 0.55 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.95 1eei n LEU 31 CO 0.25 0.30 0.93 0.00 -0.00 0.00 0.00 177.39 178.87 1eei n ALA 32 N 0.05 1.14 -1.62 1.47 0.00 -1.26 -4.70 120.51 115.59 1eei n ALA 32 Ca 0.06 0.38 -0.48 0.00 0.00 0.00 0.00 53.44 53.40 1eei n ALA 32 Cb 0.27 -2.25 -0.04 0.00 0.00 0.00 0.00 19.45 17.43 1eei n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1eei n GLY 33 N 1.39 0.60 3.62 0.00 0.00 -1.26 -0.36 105.19 109.18 1eei n GLY 33 Ca 0.08 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.70 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 2.45 0.00 -1.46 1.61 4.76 -1.26 -4.76 118.16 119.50 1eei n LYS 34 Ca 0.16 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.59 1eei n LYS 34 Cb 0.25 -3.65 0.09 0.00 -1.84 0.00 0.00 35.03 29.88 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 -2.00 1.50 -2.49 1.97 5.12 0.51 -4.98 116.66 116.29 1eei n ARG 35 Ca 0.00 -3.10 -0.40 0.00 -1.93 0.00 0.00 57.85 52.42 1eei n ARG 35 Cb 0.00 -1.25 -0.03 0.00 -1.16 0.00 0.00 32.46 30.02 1eei n ARG 35 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1eei s GLU 36 N -2.42 3.32 0.33 5.56 8.01 -0.91 -4.30 118.70 128.29 1eei s GLU 36 Ca 0.38 -0.66 -0.10 0.00 0.01 0.00 0.00 54.97 54.59 1eei s GLU 36 Cb 0.38 -4.88 0.02 0.00 -4.31 0.00 0.00 34.13 25.34 1eei s GLU 36 CO -0.08 -2.31 0.58 0.00 0.01 0.00 0.00 175.26 173.47 1eei s MET 37 N 5.51 1.90 0.07 1.61 0.23 -1.08 -4.28 119.30 123.26 1eei s MET 37 Ca 0.45 -1.48 0.06 0.00 -1.03 0.00 0.00 55.69 53.69 1eei s MET 37 Cb -0.04 0.51 -0.03 0.00 -1.53 0.00 0.00 34.83 33.75 1eei s MET 37 CO 0.01 -0.83 -0.16 0.00 -2.03 0.00 0.00 175.02 172.01 1eei s ALA 38 N -3.15 1.35 -0.02 3.16 0.00 -1.23 -1.16 121.76 120.71 1eei s ALA 38 Ca 0.23 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 51.18 1eei s ALA 38 Cb -0.02 -0.17 0.02 0.00 0.00 0.00 0.00 23.12 22.95 1eei s ALA 38 CO 0.14 0.24 -0.01 0.42 0.00 0.00 0.00 175.76 176.55 1eei s ILE 39 N -1.10 0.23 0.19 0.00 1.01 0.20 -1.24 121.20 120.50 1eei s ILE 39 Ca 0.01 0.02 0.09 0.00 0.00 0.00 0.00 60.65 60.77 1eei s ILE 39 Cb -0.09 -0.29 -0.04 0.00 0.01 0.00 0.00 42.46 42.04 1eei s ILE 39 CO 0.02 0.14 -0.18 0.27 0.00 0.00 0.00 174.94 175.19 1eei s ILE 40 N 0.76 1.91 0.16 2.92 -4.36 -0.37 -0.38 121.20 121.85 1eei s ILE 40 Ca -0.08 -2.07 0.03 0.00 -0.26 0.00 0.00 60.65 58.27 1eei s ILE 40 Cb -0.11 -1.97 -0.05 0.00 1.25 0.00 0.00 42.46 41.58 1eei s ILE 40 CO -0.01 -0.39 -0.04 0.42 0.24 0.00 0.00 174.94 175.15 1eei s THR 41 N -2.34 0.87 0.24 8.37 -4.23 -0.77 -1.29 115.64 116.50 1eei s THR 41 Ca 0.20 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.82 1eei s THR 41 Cb -0.04 -1.98 -0.05 0.00 1.34 0.00 0.00 72.50 71.77 1eei s THR 41 CO 0.08 -0.62 -0.21 -0.36 -0.54 0.00 0.00 174.62 172.97 1eei s PHE 42 N -3.53 2.23 0.65 3.99 0.40 -0.53 -0.05 117.98 121.15 1eei s PHE 42 Ca 0.20 -0.36 0.36 0.00 -0.60 0.00 0.00 56.93 56.52 1eei s PHE 42 Cb 0.05 -1.02 1.97 0.00 0.51 0.00 0.00 43.02 44.53 1eei s PHE 42 CO 0.02 0.61 2.16 1.57 0.70 0.00 0.00 175.22 180.27 1eei h LYS 43 N 2.63 0.00 0.00 0.44 2.10 -1.90 -0.21 116.57 119.63 1eei h LYS 43 Ca -0.42 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.23 1eei h LYS 43 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 1eei h LYS 43 CO 0.56 0.00 0.00 0.27 -2.00 0.00 0.00 179.45 178.28 1eei n ASN 44 N -3.21 0.00 0.00 7.07 6.94 -1.26 -4.86 115.26 119.94 1eei n ASN 44 Ca -0.02 -1.77 0.00 0.00 -0.02 0.00 0.00 54.58 52.78 1eei n ASN 44 Cb 0.24 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.66 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 0.53 1.73 3.70 4.83 0.00 -0.09 -5.02 105.19 110.88 1eei n GLY 45 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1eei n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1eei s ALA 46 N -3.06 3.75 -0.04 4.61 0.00 -1.25 -4.79 121.76 120.98 1eei s ALA 46 Ca 0.00 1.32 0.06 0.00 0.00 0.00 0.00 51.96 53.34 1eei s ALA 46 Cb 0.00 -3.67 -0.02 0.00 0.00 0.00 0.00 23.12 19.43 1eei s ALA 46 CO 0.00 -0.95 -0.20 0.99 0.00 0.00 0.00 175.76 175.59 1eei s THR 47 N 1.89 2.53 0.07 0.00 2.01 -1.26 -1.45 115.64 119.44 1eei s THR 47 Ca 0.73 -0.92 -0.02 0.00 0.31 0.00 0.00 61.69 61.79 1eei s THR 47 Cb -0.43 -1.94 -0.04 0.00 0.01 0.00 0.00 72.50 70.11 1eei s THR 47 CO 0.32 0.58 0.01 -0.36 -0.69 0.00 0.00 174.62 174.48 1eei s PHE 48 N -0.61 0.57 0.05 4.92 0.08 -0.41 -3.72 117.98 118.86 1eei s PHE 48 Ca 0.09 -1.07 -0.01 0.00 0.12 0.00 0.00 56.93 56.07 1eei s PHE 48 Cb -0.11 -0.38 -0.04 0.00 -0.57 0.00 0.00 43.02 41.92 1eei s PHE 48 CO 0.00 -0.43 -0.03 1.14 -0.10 0.00 0.00 175.22 175.80 1eei s GLN 49 N -3.95 0.62 -0.31 0.44 -2.07 -0.41 -1.23 119.66 112.76 1eei s GLN 49 Ca 0.11 -1.21 -0.06 0.00 -1.82 0.00 0.00 55.36 52.38 1eei s GLN 49 Cb 0.08 0.17 0.02 0.00 -1.09 0.00 0.00 33.01 32.19 1eei s GLN 49 CO -0.07 -0.10 0.08 0.08 -1.32 0.00 0.00 175.29 173.96 1eei s VAL 50 N -3.81 3.83 0.63 3.63 1.01 -0.37 -1.32 120.40 124.00 1eei s VAL 50 Ca 0.07 -0.86 -0.18 0.00 0.00 0.00 0.00 61.98 61.01 1eei s VAL 50 Cb 0.07 -3.04 -0.03 0.00 0.00 0.00 0.00 36.38 33.38 1eei s VAL 50 CO -0.09 0.00 1.05 -0.62 0.00 0.00 0.00 175.10 175.44 1eei n GLU 51 N 4.84 0.91 -2.05 2.72 1.02 -1.26 -3.47 120.64 123.35 1eei n GLU 51 Ca -0.14 0.36 -0.42 0.00 -0.02 0.00 0.00 57.16 56.94 1eei n GLU 51 Cb 0.47 -2.26 -0.03 0.00 -0.02 0.00 0.00 31.44 29.60 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 -1.50 2.84 0.09 2.62 1.01 -1.26 -4.86 120.40 119.35 1eei s VAL 52 Ca 0.78 0.66 -0.34 0.00 0.00 0.00 0.00 61.98 63.08 1eei s VAL 52 Cb -0.40 -3.42 -0.14 0.00 0.00 0.00 0.00 36.38 32.42 1eei s VAL 52 CO 0.45 0.08 1.62 -2.65 0.00 0.00 0.00 175.10 174.60 1eei n PRO 53 N 3.09 2.04 -3.43 2.72 -0.02 -1.26 -4.92 135.00 133.22 1eei n PRO 53 Ca 0.09 0.74 -0.13 0.00 -2.02 0.00 0.00 63.50 62.18 1eei n PRO 53 Cb 0.40 -2.51 -0.05 0.00 -0.02 0.00 0.00 33.50 31.32 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 3.55 3.35 0.34 -1.23 0.00 -1.26 -5.02 105.19 104.91 1eei n GLY 54 Ca 0.18 -1.84 0.17 0.00 0.00 0.00 0.00 46.02 44.53 1eei n GLY 54 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1eei h SER 55 N 1.27 0.00 0.70 1.61 0.87 -2.02 0.18 113.55 116.15 1eei h SER 55 Ca -0.15 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.41 1eei h SER 55 Cb 0.76 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.72 1eei h SER 55 CO 0.23 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.53 1eei n GLN 56 N -3.95 0.08 -3.94 2.24 0.00 -1.26 -4.75 117.38 105.79 1eei n GLN 56 Ca 0.02 0.27 -0.31 0.00 0.00 0.00 0.00 57.00 56.98 1eei n GLN 56 Cb 0.34 -1.63 -0.05 0.00 0.00 0.00 0.00 30.24 28.90 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 -3.10 3.46 0.27 2.61 3.76 0.05 -5.11 115.29 117.23 1eei s HIS 57 Ca 0.07 0.23 0.01 0.00 -0.15 0.00 0.00 55.06 55.22 1eei s HIS 57 Cb 0.11 -1.74 -0.04 0.00 1.11 0.00 0.00 32.58 32.02 1eei s HIS 57 CO 0.36 0.58 0.45 0.96 -0.85 0.00 0.00 174.74 176.25 1eei s ILE 58 N -1.46 5.17 0.29 0.60 -4.36 -1.26 -4.88 121.20 115.29 1eei s ILE 58 Ca 0.33 -0.50 0.03 0.00 -0.26 0.00 0.00 60.65 60.25 1eei s ILE 58 Cb -0.13 -3.81 0.29 0.00 1.25 0.00 0.00 42.46 40.06 1eei s ILE 58 CO 0.26 -0.36 1.69 0.44 0.24 0.00 0.00 174.94 177.21 1eei h ASP 59 N 1.36 0.28 0.00 4.36 3.32 -1.99 0.17 116.42 123.91 1eei h ASP 59 Ca -0.49 0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.72 1eei h ASP 59 Cb 1.21 0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.91 1eei h ASP 59 CO 0.64 -0.02 0.17 0.77 -1.72 0.00 0.00 179.24 179.08 1eei h SER 60 N 0.37 0.00 1.03 6.45 4.64 -2.05 -1.90 113.55 122.10 1eei h SER 60 Ca 0.55 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.77 1eei h SER 60 Cb 1.06 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.13 1eei h SER 60 CO -0.54 0.00 -1.02 1.56 -0.87 0.00 0.00 176.83 175.96 1eei h GLN 61 N 0.00 0.00 -0.47 4.77 4.20 -1.04 -3.38 115.11 119.19 1eei h GLN 61 Ca 0.00 0.00 0.09 0.00 0.06 0.00 0.00 58.65 58.80 1eei h GLN 61 Cb 0.34 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.03 1eei h GLN 61 CO 0.00 0.26 -0.10 0.87 -0.67 0.00 0.00 178.83 179.19 1eei h LYS 62 N 0.00 0.02 -0.77 1.46 1.57 -1.43 0.24 116.57 117.66 1eei h LYS 62 Ca -0.08 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 1eei h LYS 62 Cb 1.38 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.65 1eei h LYS 62 CO 0.04 0.01 0.39 0.87 -0.57 0.00 0.00 179.45 180.19 1eei h LYS 63 N 0.02 1.09 0.00 3.15 1.57 -1.76 -1.84 116.57 118.79 1eei h LYS 63 Ca 0.23 -0.14 -0.10 0.00 -1.87 0.00 0.00 60.65 58.77 1eei h LYS 63 Cb 0.35 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1eei h LYS 63 CO -0.47 0.83 -0.47 0.00 -0.57 0.00 0.00 179.45 178.77 1eei h ALA 64 N 1.20 1.02 -0.28 3.86 0.00 -1.49 -2.08 119.26 121.49 1eei h ALA 64 Ca 0.27 -0.43 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 1eei h ALA 64 Cb 0.08 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1eei h ALA 64 CO -0.04 0.59 -0.11 0.82 0.00 0.00 0.00 179.25 180.51 1eei h ILE 65 N 0.00 1.29 -0.43 0.00 2.04 0.06 -0.42 117.51 120.05 1eei h ILE 65 Ca -0.00 -1.19 -0.04 0.00 1.00 0.00 0.00 64.86 64.63 1eei h ILE 65 Cb 0.96 1.47 -0.02 0.00 -0.74 0.00 0.00 36.82 38.49 1eei h ILE 65 CO 0.06 0.38 0.10 -0.33 0.00 0.00 0.00 178.15 178.36 1eei h GLU 66 N 0.33 0.69 -0.89 2.37 4.39 -1.12 -2.43 114.58 117.92 1eei h GLU 66 Ca 0.07 -0.17 -0.02 0.00 0.34 0.00 0.00 59.36 59.58 1eei h GLU 66 Cb 0.62 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 29.14 1eei h GLU 66 CO 0.04 0.70 0.48 -0.09 -1.16 0.00 0.00 179.01 178.97 1eei h ARG 67 N 0.56 1.25 -0.57 2.33 2.43 -1.34 -0.54 114.38 118.50 1eei h ARG 67 Ca 0.13 -0.16 0.03 0.00 -0.81 0.00 0.00 59.98 59.18 1eei h ARG 67 Cb 0.32 -0.24 -0.04 0.00 -0.42 0.00 0.00 29.97 29.59 1eei h ARG 67 CO 0.00 0.93 0.34 1.98 -1.51 0.00 0.00 179.97 181.70 1eei h MET 68 N 1.26 0.64 -0.52 0.20 4.05 -0.80 0.57 114.93 120.33 1eei h MET 68 Ca 0.31 -0.04 -0.06 0.00 -0.28 0.00 0.00 59.70 59.64 1eei h MET 68 Cb 0.05 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 30.68 1eei h MET 68 CO -0.05 0.42 0.09 0.87 0.23 0.00 0.00 176.91 178.47 1eei h LYS 69 N 0.66 0.81 -0.11 0.39 1.57 -0.93 0.11 116.57 119.07 1eei h LYS 69 Ca 0.24 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1eei h LYS 69 Cb 0.06 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1eei h LYS 69 CO -0.12 0.76 0.07 -0.44 -0.57 0.00 0.00 179.45 179.15 1eei h ASP 70 N 0.77 0.14 -0.45 0.86 3.32 0.43 -2.14 116.42 119.35 1eei h ASP 70 Ca 0.17 -0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.19 1eei h ASP 70 Cb 0.34 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.83 1eei h ASP 70 CO 0.00 0.13 0.28 0.74 -1.72 0.00 0.00 179.24 178.67 1eei h THR 71 N 0.13 1.07 -0.54 0.35 2.02 0.66 -2.19 112.91 114.42 1eei h THR 71 Ca 0.04 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 1eei h THR 71 Cb 0.02 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 66.86 1eei h THR 71 CO -0.01 0.10 0.26 -0.07 0.37 0.00 0.00 175.52 176.17 1eei h LEU 72 N 0.56 0.67 -0.05 2.58 3.38 -0.61 -1.90 115.31 119.95 1eei h LEU 72 Ca 0.17 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1eei h LEU 72 Cb -0.02 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 1eei h LEU 72 CO -0.07 0.58 -0.05 -0.09 0.09 0.00 0.00 178.44 178.90 1eei h ARG 73 N 0.75 0.12 -0.48 1.13 2.43 -0.98 -2.06 114.38 115.30 1eei h ARG 73 Ca 0.19 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.21 1eei h ARG 73 Cb 0.08 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 1eei h ARG 73 CO -0.03 0.59 -0.04 0.97 -1.51 0.00 0.00 179.97 179.96 1eei h ILE 74 N -0.35 1.25 -0.52 1.20 6.09 -1.34 -1.35 117.51 122.48 1eei h ILE 74 Ca 0.01 -1.08 -0.02 0.00 -1.37 0.00 0.00 64.86 62.40 1eei h ILE 74 Cb 0.57 0.93 -0.02 0.00 0.47 0.00 0.00 36.82 38.76 1eei h ILE 74 CO 0.01 0.38 0.24 0.00 -3.07 0.00 0.00 178.15 175.71 1eei h ALA 75 N 1.20 0.68 -0.24 0.18 0.00 -1.37 0.83 119.26 120.53 1eei h ALA 75 Ca 0.14 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1eei h ALA 75 Cb 0.51 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1eei h ALA 75 CO 0.03 0.25 0.10 -0.92 0.00 0.00 0.00 179.25 178.71 1eei h TYR 76 N 0.70 0.35 -0.39 0.00 3.20 -1.11 0.18 116.97 119.91 1eei h TYR 76 Ca 0.18 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.02 1eei h TYR 76 Cb 0.14 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 1eei h TYR 76 CO -0.00 0.37 0.23 -0.07 -1.64 0.00 0.00 178.16 177.04 1eei h LEU 77 N 0.24 0.47 0.00 2.82 3.38 -0.95 -1.92 115.31 119.35 1eei h LEU 77 Ca 0.08 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1eei h LEU 77 Cb 0.16 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1eei h LEU 77 CO -0.01 0.39 0.00 0.35 0.09 0.00 0.00 178.44 179.27 1eei n THR 78 N -4.77 0.10 -3.25 0.22 -2.24 0.26 -4.89 114.28 99.70 1eei n THR 78 Ca 0.00 0.02 -0.24 0.00 -2.27 0.00 0.00 64.05 61.57 1eei n THR 78 Cb 0.06 -0.57 0.03 0.00 -2.10 0.00 0.00 70.33 67.75 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 -1.24 -5.00 -2.49 -0.78 1.02 0.54 -4.93 120.64 107.77 1eei n GLU 79 Ca 0.14 0.77 -0.38 0.00 -0.02 0.00 0.00 57.16 57.67 1eei n GLU 79 Cb 0.20 -5.63 -0.04 0.00 -0.02 0.00 0.00 31.44 25.95 1eei n GLU 79 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1eei s ALA 80 N -3.15 3.21 -0.18 0.62 0.00 -0.54 -4.76 121.76 116.96 1eei s ALA 80 Ca 0.40 0.80 -0.29 0.00 0.00 0.00 0.00 51.96 52.87 1eei s ALA 80 Cb -0.19 -3.30 -0.01 0.00 0.00 0.00 0.00 23.12 19.61 1eei s ALA 80 CO 0.49 -0.23 1.29 0.21 0.00 0.00 0.00 175.76 177.52 1eei s LYS 81 N -2.08 4.19 -0.15 0.00 2.20 -1.26 -4.34 119.74 118.29 1eei s LYS 81 Ca 0.53 1.64 -0.26 0.00 -0.36 0.00 0.00 55.97 57.51 1eei s LYS 81 Cb -0.27 -3.79 -0.01 0.00 -1.51 0.00 0.00 37.83 32.25 1eei s LYS 81 CO 0.34 -0.77 0.88 0.08 -0.36 0.00 0.00 175.35 175.52 1eei s VAL 82 N 3.65 4.85 0.00 4.02 1.01 0.58 -4.07 120.40 130.45 1eei s VAL 82 Ca 0.56 1.75 0.00 0.00 0.00 0.00 0.00 61.98 64.29 1eei s VAL 82 Cb -0.22 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 31.97 1eei s VAL 82 CO 0.16 0.02 0.26 1.21 0.00 0.00 0.00 175.10 176.75 1eei n GLU 83 N 5.20 0.00 -4.24 2.72 2.13 -0.14 -0.35 120.64 125.95 1eei n GLU 83 Ca 0.06 0.44 -0.14 0.00 0.66 0.00 0.00 57.16 58.18 1eei n GLU 83 Cb 0.49 -1.08 -0.10 0.00 0.27 0.00 0.00 31.44 31.02 1eei n GLU 83 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1eei s LYS 84 N -1.40 1.04 -0.08 5.31 1.02 -1.19 -1.05 119.74 123.39 1eei s LYS 84 Ca 0.00 -1.43 0.01 0.00 0.02 0.00 0.00 55.97 54.57 1eei s LYS 84 Cb 0.00 -0.61 0.02 0.00 -0.52 0.00 0.00 37.83 36.72 1eei s LYS 84 CO 0.00 0.07 -0.09 -0.51 -0.92 0.00 0.00 175.35 173.90 1eei s LEU 85 N -3.12 1.43 -0.22 3.17 1.43 -0.42 -1.74 118.68 119.21 1eei s LEU 85 Ca 0.16 -0.26 -0.15 0.00 -1.03 0.00 0.00 54.13 52.85 1eei s LEU 85 Cb 0.02 -0.75 -0.04 0.00 0.03 0.00 0.00 46.19 45.45 1eei s LEU 85 CO 0.00 -0.03 0.35 0.00 0.23 0.00 0.00 176.35 176.90 1eei s VAL 87 N 1.41 1.06 -0.19 0.00 -7.23 -0.00 0.14 120.40 115.58 1eei s VAL 87 Ca 0.16 -1.66 -0.22 0.00 -1.81 0.00 0.00 61.98 58.45 1eei s VAL 87 Cb -0.15 -1.41 -0.02 0.00 0.56 0.00 0.00 36.38 35.36 1eei s VAL 87 CO 0.08 -0.51 0.69 0.26 -0.31 0.00 0.00 175.10 175.30 1eei s TRP 88 N -2.35 3.38 -1.01 2.82 0.51 -0.23 0.09 118.94 122.15 1eei s TRP 88 Ca 0.06 1.02 0.11 0.00 -2.12 0.00 0.00 56.10 55.17 1eei s TRP 88 Cb -0.03 -2.87 0.50 0.00 -0.81 0.00 0.00 33.47 30.26 1eei s TRP 88 CO 0.01 -0.21 1.33 0.27 -0.51 0.00 0.00 176.95 177.85 1eei n ASN 89 N 5.17 3.61 -1.60 2.95 0.23 0.25 -2.99 115.26 122.88 1eei n ASN 89 Ca 0.00 -2.40 0.02 0.00 -0.53 0.00 0.00 54.58 51.67 1eei n ASN 89 Cb 0.49 -0.52 0.32 0.00 -2.08 0.00 0.00 39.78 37.99 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 0.59 4.70 -4.03 0.53 6.94 -1.26 -4.93 115.26 117.79 1eei n ASN 90 Ca 0.18 -3.12 -0.10 0.00 -0.02 0.00 0.00 54.58 51.51 1eei n ASN 90 Cb 0.72 -0.67 -0.11 0.00 -2.36 0.00 0.00 39.78 37.36 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 -2.90 0.45 -0.14 -3.83 -0.14 -1.26 -5.09 119.74 106.83 1eei s LYS 91 Ca 0.51 -0.78 -0.00 0.00 -1.36 0.00 0.00 55.97 54.33 1eei s LYS 91 Cb 0.40 -0.03 0.03 0.00 -1.68 0.00 0.00 37.83 36.56 1eei s LYS 91 CO 0.12 -0.02 -0.08 0.99 -0.76 0.00 0.00 175.35 175.60 1eei s THR 92 N -1.89 1.13 0.95 2.17 2.01 -1.26 -2.71 115.64 116.04 1eei s THR 92 Ca -0.09 -0.47 -0.12 0.00 0.31 0.00 0.00 61.69 61.32 1eei s THR 92 Cb -0.07 -1.20 0.16 0.00 0.01 0.00 0.00 72.50 71.40 1eei s THR 92 CO -0.02 0.29 1.09 -2.84 -0.69 0.00 0.00 174.62 172.45 1eei s PRO 93 N 1.65 0.85 0.27 4.92 0.02 -1.26 -5.06 135.00 136.40 1eei s PRO 93 Ca 0.03 0.75 -0.30 0.00 0.02 0.00 0.00 61.00 61.50 1eei s PRO 93 Cb -0.14 -1.77 -0.11 0.00 0.02 0.00 0.00 34.50 32.50 1eei s PRO 93 CO -0.08 -2.50 1.63 -1.01 -0.33 0.00 0.00 177.00 174.70 1eei s HIS 94 N -2.90 2.78 -0.18 6.54 3.76 -1.10 -4.60 115.29 119.58 1eei s HIS 94 Ca 0.64 0.67 -0.24 0.00 -0.15 0.00 0.00 55.06 55.99 1eei s HIS 94 Cb -0.19 -4.09 -0.02 0.00 1.11 0.00 0.00 32.58 29.39 1eei s HIS 94 CO 0.58 -3.79 0.75 0.00 -0.85 0.00 0.00 174.74 171.43 1eei s ALA 95 N 0.29 3.53 0.05 -1.40 0.00 -1.16 -1.29 121.76 121.78 1eei s ALA 95 Ca 0.66 -0.08 -0.31 0.00 0.00 0.00 0.00 51.96 52.23 1eei s ALA 95 Cb -0.48 -3.13 -0.07 0.00 0.00 0.00 0.00 23.12 19.43 1eei s ALA 95 CO 0.44 -0.62 1.53 0.42 0.00 0.00 0.00 175.76 177.53 1eei s ILE 96 N 2.06 3.30 -0.17 0.00 1.01 -0.43 -1.07 121.20 125.90 1eei s ILE 96 Ca 0.35 0.76 0.06 0.00 0.00 0.00 0.00 60.65 61.82 1eei s ILE 96 Cb -0.16 -3.49 -0.15 0.00 0.01 0.00 0.00 42.46 38.67 1eei s ILE 96 CO 0.11 0.01 -0.08 0.00 0.00 0.00 0.00 174.94 174.98 1eei n ALA 97 N 5.27 1.61 -3.50 9.38 0.00 0.37 -4.87 120.51 128.77 1eei n ALA 97 Ca 0.14 -0.88 -0.09 0.00 0.00 0.00 0.00 53.44 52.61 1eei n ALA 97 Cb 0.42 0.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.85 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 -2.37 -1.19 -0.01 0.00 0.00 -0.48 -4.95 121.76 112.75 1eei s ALA 98 Ca -0.18 -0.06 -0.06 0.00 0.00 0.00 0.00 51.96 51.65 1eei s ALA 98 Cb 0.06 0.87 0.00 0.00 0.00 0.00 0.00 23.12 24.05 1eei s ALA 98 CO 0.50 -0.86 0.13 -1.50 0.00 0.00 0.00 175.76 174.03 1eei s ILE 99 N -3.86 0.06 0.04 0.00 2.07 -1.26 -0.83 121.20 117.42 1eei s ILE 99 Ca 0.08 -0.53 0.03 0.00 -1.41 0.00 0.00 60.65 58.81 1eei s ILE 99 Cb -0.02 -0.37 -0.02 0.00 0.13 0.00 0.00 42.46 42.17 1eei s ILE 99 CO -0.03 -0.29 -0.09 -0.94 -1.91 0.00 0.00 174.94 171.68 1eei s SER 100 N -1.03 1.05 -0.03 4.50 1.04 -0.71 -5.01 113.70 113.52 1eei s SER 100 Ca -0.11 -0.47 0.01 0.00 0.48 0.00 0.00 55.95 55.85 1eei s SER 100 Cb -0.06 -0.01 0.02 0.00 0.10 0.00 0.00 66.02 66.07 1eei s SER 100 CO 0.01 -0.11 -0.02 -0.04 0.98 0.00 0.00 173.24 174.06 1eei s MET 101 N -1.30 0.46 0.08 4.02 -1.94 -1.26 -0.97 119.30 118.38 1eei s MET 101 Ca -0.05 -0.01 -0.16 0.00 -1.71 0.00 0.00 55.69 53.76 1eei s MET 101 Cb -0.08 -0.56 0.03 0.00 2.01 0.00 0.00 34.83 36.23 1eei s MET 101 CO 0.01 -0.09 0.38 0.00 -0.01 0.00 0.00 175.02 175.31 1eei s ALA 102 N 0.82 -0.88 0.00 3.03 0.00 -1.26 -4.90 121.76 118.57 1eei s ALA 102 Ca -0.09 0.07 0.00 0.00 0.00 0.00 0.00 51.96 51.94 1eei s ALA 102 Cb -0.12 0.49 0.00 0.00 0.00 0.00 0.00 23.12 23.49 1eei s ALA 102 CO -0.01 -0.53 0.00 0.09 0.00 0.00 0.00 175.76 175.31