#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 1.31 0.00 -2.82 0.04 -1.26 -4.98 135.00 127.29 1eei s PRO 2 Ca 0.00 1.60 0.03 0.00 0.04 0.00 0.00 61.00 62.67 1eei s PRO 2 Cb 0.00 -1.75 0.06 0.00 0.04 0.00 0.00 34.50 32.84 1eei s PRO 2 CO 0.00 -2.43 0.89 1.04 0.04 0.00 0.00 177.00 176.55 1eei n GLN 3 N -3.86 1.69 -3.60 4.56 6.02 -1.26 -4.98 117.38 115.94 1eei n GLN 3 Ca 0.12 -1.29 -0.08 0.00 -0.01 0.00 0.00 57.00 55.74 1eei n GLN 3 Cb 0.52 -1.06 -0.02 0.00 1.02 0.00 0.00 30.24 30.69 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 -0.73 -0.35 0.37 1.08 2.20 -1.26 -5.05 114.94 111.20 1eei s ASN 4 Ca 0.05 -0.20 0.06 0.00 -0.94 0.00 0.00 52.86 51.83 1eei s ASN 4 Cb 0.03 0.52 0.74 0.00 -2.00 0.00 0.00 41.25 40.53 1eei s ASN 4 CO 0.04 -0.90 1.96 -0.29 -2.94 0.00 0.00 177.10 174.97 1eei h ILE 5 N 2.00 1.15 0.21 0.54 2.10 -1.96 -1.76 117.51 119.79 1eei h ILE 5 Ca -0.25 -0.51 -0.01 0.00 1.08 0.00 0.00 64.86 65.17 1eei h ILE 5 Cb 1.26 0.76 0.00 0.00 -1.09 0.00 0.00 36.82 37.75 1eei h ILE 5 CO 0.30 0.19 -0.10 0.74 -1.08 0.00 0.00 178.15 178.20 1eei h THR 6 N 0.51 0.86 -0.83 2.19 2.02 -1.98 0.22 112.91 115.90 1eei h THR 6 Ca 0.12 -0.38 -0.03 0.00 0.77 0.00 0.00 66.41 66.89 1eei h THR 6 Cb 0.15 1.09 -0.04 0.00 -1.74 0.00 0.00 68.15 67.61 1eei h THR 6 CO -0.01 0.09 0.39 0.44 0.37 0.00 0.00 175.52 176.79 1eei h ASP 7 N -0.47 1.09 -0.13 4.18 3.32 -1.95 0.15 116.42 122.61 1eei h ASP 7 Ca -0.03 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 56.88 1eei h ASP 7 Cb 0.36 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1eei h ASP 7 CO 0.05 0.92 0.05 0.25 -1.72 0.00 0.00 179.24 178.79 1eei h LEU 8 N 1.18 0.17 -1.20 1.55 6.46 -1.17 -2.31 115.31 119.99 1eei h LEU 8 Ca 0.28 -0.16 0.09 0.00 -0.12 0.00 0.00 57.88 57.97 1eei h LEU 8 Cb 0.13 -0.05 -0.06 0.00 -0.73 0.00 0.00 40.66 39.95 1eei h LEU 8 CO -0.03 0.29 0.57 0.00 -0.62 0.00 0.00 178.44 178.64 1eei n ALA 10 N -2.41 1.56 1.46 0.00 0.00 -0.02 -1.70 120.51 119.40 1eei n ALA 10 Ca 0.15 -0.04 0.14 0.00 0.00 0.00 0.00 53.44 53.69 1eei n ALA 10 Cb 0.28 -1.19 0.66 0.00 0.00 0.00 0.00 19.45 19.20 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 -1.48 0.68 -4.39 0.00 1.02 0.09 -4.88 120.64 111.69 1eei n GLU 11 Ca 0.03 -0.19 -0.23 0.00 -0.02 0.00 0.00 57.16 56.75 1eei n GLU 11 Cb 0.13 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 29.95 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 -2.45 2.03 0.52 -0.32 1.51 -0.69 -5.14 117.35 112.82 1eei s TYR 12 Ca 0.30 -0.42 -0.06 0.00 -1.01 0.00 0.00 57.07 55.88 1eei s TYR 12 Cb 0.20 -0.97 -0.03 0.00 -0.11 0.00 0.00 41.96 41.05 1eei s TYR 12 CO 0.46 0.46 0.84 -3.38 -1.11 0.00 0.00 175.55 172.82 1eei s HIS 13 N -2.15 3.53 -2.14 2.71 -3.43 -1.26 -4.11 115.29 108.44 1eei s HIS 13 Ca 0.21 0.86 0.00 0.00 -0.80 0.00 0.00 55.06 55.33 1eei s HIS 13 Cb -0.06 -2.42 0.00 0.00 -1.43 0.00 0.00 32.58 28.67 1eei s HIS 13 CO 0.09 -0.41 0.00 0.09 -2.00 0.00 0.00 174.74 172.51 1eei n ASN 14 N -2.38 -5.58 -4.75 7.38 5.03 -1.26 -4.96 115.26 108.73 1eei n ASN 14 Ca 0.02 0.43 -0.23 0.00 0.87 0.00 0.00 54.58 55.66 1eei n ASN 14 Cb 0.55 -4.86 -0.06 0.00 -1.02 0.00 0.00 39.78 34.39 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 -2.82 2.74 0.12 3.41 -4.23 -1.26 -0.38 115.64 113.22 1eei s THR 15 Ca 0.00 -1.65 -0.25 0.00 -1.18 0.00 0.00 61.69 58.61 1eei s THR 15 Cb 0.00 -2.98 0.07 0.00 1.34 0.00 0.00 72.50 70.93 1eei s THR 15 CO 0.00 -0.10 0.76 0.00 -0.54 0.00 0.00 174.62 174.74 1eei s GLN 16 N -3.90 1.17 -0.07 3.99 -2.07 -0.81 -4.86 119.66 113.11 1eei s GLN 16 Ca 0.40 -0.50 -0.03 0.00 -1.82 0.00 0.00 55.36 53.41 1eei s GLN 16 Cb -0.01 0.49 -0.04 0.00 -1.09 0.00 0.00 33.01 32.37 1eei s GLN 16 CO 0.23 -0.52 0.09 0.42 -1.32 0.00 0.00 175.29 174.19 1eei s ILE 17 N -3.49 4.94 -0.19 3.63 -1.09 -1.26 -1.37 121.20 122.37 1eei s ILE 17 Ca 0.05 -0.11 0.01 0.00 -2.23 0.00 0.00 60.65 58.37 1eei s ILE 17 Cb -0.02 -3.17 0.03 0.00 -1.58 0.00 0.00 42.46 37.73 1eei s ILE 17 CO -0.07 0.53 -0.17 -1.00 -1.23 0.00 0.00 174.94 173.00 1eei s HIS 18 N -1.05 2.80 -0.37 3.97 3.76 0.19 -4.95 115.29 119.63 1eei s HIS 18 Ca 0.17 -1.74 -0.21 0.00 -0.15 0.00 0.00 55.06 53.13 1eei s HIS 18 Cb -0.12 -1.87 0.01 0.00 1.11 0.00 0.00 32.58 31.71 1eei s HIS 18 CO 0.07 -0.81 0.66 0.99 -0.85 0.00 0.00 174.74 174.80 1eei s THR 19 N 1.28 4.86 -0.17 1.30 2.01 -1.26 -0.14 115.64 123.52 1eei s THR 19 Ca 0.02 0.54 -0.06 0.00 0.31 0.00 0.00 61.69 62.50 1eei s THR 19 Cb -0.15 -4.11 -0.08 0.00 0.01 0.00 0.00 72.50 68.16 1eei s THR 19 CO -0.11 -0.38 -0.20 0.18 -0.69 0.00 0.00 174.62 173.43 1eei n LEU 20 N 6.13 1.76 -4.09 4.42 4.77 0.18 -5.00 117.00 125.17 1eei n LEU 20 Ca -0.01 0.12 -0.29 0.00 -0.03 0.00 0.00 56.01 55.80 1eei n LEU 20 Cb 0.48 -0.53 -0.04 0.00 -2.33 0.00 0.00 43.42 41.01 1eei n LEU 20 CO 0.50 0.49 -0.22 0.59 -1.33 0.00 0.00 177.39 177.42 1eei n ASN 21 N -3.53 -0.93 -3.57 -1.43 3.02 0.12 -4.91 115.26 104.03 1eei n ASN 21 Ca -0.32 -1.05 -0.15 0.00 -0.03 0.00 0.00 54.58 53.02 1eei n ASN 21 Cb 0.76 -2.72 -0.06 0.00 -0.61 0.00 0.00 39.78 37.15 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 -4.07 -0.47 0.71 6.41 2.15 -0.33 -4.85 116.67 116.22 1eei s ASP 22 Ca 0.21 0.29 -0.11 0.00 0.43 0.00 0.00 52.55 53.38 1eei s ASP 22 Cb -0.12 0.49 0.02 0.00 -0.30 0.00 0.00 42.92 43.01 1eei s ASP 22 CO 0.92 -0.67 1.06 -1.59 -0.17 0.00 0.00 175.17 174.72 1eei s LYS 23 N -2.08 2.83 0.25 4.34 -2.85 -1.26 -0.41 119.74 120.56 1eei s LYS 23 Ca -0.07 0.92 -0.30 0.00 -1.00 0.00 0.00 55.97 55.52 1eei s LYS 23 Cb -0.01 -1.98 -0.09 0.00 -2.06 0.00 0.00 37.83 33.69 1eei s LYS 23 CO 0.01 -1.17 1.14 0.42 0.10 0.00 0.00 175.35 175.85 1eei s ILE 24 N -3.06 3.47 -0.08 3.79 1.01 -1.26 -4.71 121.20 120.36 1eei s ILE 24 Ca 0.58 1.40 0.00 0.00 0.00 0.00 0.00 60.65 62.64 1eei s ILE 24 Cb -0.14 -3.89 -0.25 0.00 0.01 0.00 0.00 42.46 38.18 1eei s ILE 24 CO 0.55 0.30 0.52 0.15 0.00 0.00 0.00 174.94 176.46 1eei h PHE 25 N 4.20 0.32 -3.21 3.97 3.57 -1.35 -3.47 116.94 120.96 1eei h PHE 25 Ca -0.46 -0.24 -0.12 0.00 3.53 0.00 0.00 57.97 60.68 1eei h PHE 25 Cb 1.21 -0.01 -0.20 0.00 2.79 0.00 0.00 35.95 39.74 1eei h PHE 25 CO 0.60 1.49 -0.34 -1.54 -2.23 0.00 0.00 178.31 176.28 1eei s SER 26 N -6.72 -0.11 -0.04 0.41 1.04 -1.18 -4.96 113.70 102.14 1eei s SER 26 Ca -0.15 -0.04 0.01 0.00 0.48 0.00 0.00 55.95 56.25 1eei s SER 26 Cb 0.07 0.28 0.02 0.00 0.10 0.00 0.00 66.02 66.49 1eei s SER 26 CO 0.80 -0.44 -0.05 -0.47 0.98 0.00 0.00 173.24 174.06 1eei s TYR 27 N -1.48 0.72 -0.03 5.02 6.14 -1.26 -2.30 117.35 124.16 1eei s TYR 27 Ca -0.13 -0.19 0.02 0.00 0.64 0.00 0.00 57.07 57.41 1eei s TYR 27 Cb -0.05 -0.62 0.01 0.00 0.42 0.00 0.00 41.96 41.71 1eei s TYR 27 CO 0.03 -0.16 -0.07 0.99 0.64 0.00 0.00 175.55 176.97 1eei s THR 28 N 0.77 0.66 0.02 4.34 2.01 0.83 -4.98 115.64 119.28 1eei s THR 28 Ca -0.10 -0.26 0.03 0.00 0.31 0.00 0.00 61.69 61.66 1eei s THR 28 Cb -0.13 -0.61 -0.02 0.00 0.01 0.00 0.00 72.50 71.75 1eei s THR 28 CO 0.00 0.22 -0.09 -1.83 -0.69 0.00 0.00 174.62 172.24 1eei s GLU 29 N 0.40 0.63 -0.03 4.92 -1.05 -1.26 -0.08 118.70 122.23 1eei s GLU 29 Ca -0.06 -0.54 0.03 0.00 -0.15 0.00 0.00 54.97 54.25 1eei s GLU 29 Cb -0.10 -0.55 0.00 0.00 -0.44 0.00 0.00 34.13 33.05 1eei s GLU 29 CO 0.00 0.13 -0.13 0.45 0.95 0.00 0.00 175.26 176.67 1eei s SER 30 N -0.89 1.64 0.00 0.83 0.15 -0.21 -4.99 113.70 110.23 1eei s SER 30 Ca -0.02 -0.26 0.20 0.00 0.70 0.00 0.00 55.95 56.57 1eei s SER 30 Cb -0.06 -0.46 0.21 0.00 -1.71 0.00 0.00 66.02 64.00 1eei s SER 30 CO 0.00 0.10 1.17 0.00 1.20 0.00 0.00 173.24 175.72 1eei n LEU 31 N 3.25 2.78 -4.75 3.45 -0.00 -1.26 -2.20 117.00 118.27 1eei n LEU 31 Ca -0.18 -1.13 -0.42 0.00 -0.00 0.00 0.00 56.01 54.28 1eei n LEU 31 Cb 0.54 -0.05 -0.01 0.00 -0.00 0.00 0.00 43.42 43.89 1eei n LEU 31 CO 0.25 0.52 1.13 0.00 -0.00 0.00 0.00 177.39 179.29 1eei n ALA 32 N 1.14 2.23 -1.63 1.47 0.00 -1.26 -4.73 120.51 117.74 1eei n ALA 32 Ca 0.13 0.36 -0.49 0.00 0.00 0.00 0.00 53.44 53.43 1eei n ALA 32 Cb 0.50 -2.41 -0.05 0.00 0.00 0.00 0.00 19.45 17.50 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 1.07 0.79 2.72 0.00 0.00 -1.26 -0.71 105.19 107.80 1eei n GLY 33 Ca 0.04 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.74 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 2.95 -0.79 -1.98 1.61 4.76 -1.26 -4.78 118.16 118.67 1eei n LYS 34 Ca 0.18 0.20 0.02 0.00 -2.87 0.00 0.00 58.31 55.83 1eei n LYS 34 Cb 0.24 -3.90 0.04 0.00 -1.84 0.00 0.00 35.03 29.57 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 -1.21 0.78 -2.29 1.97 5.12 0.11 -4.99 116.66 116.15 1eei n ARG 35 Ca 0.00 -2.66 -0.40 0.00 -1.93 0.00 0.00 57.85 52.87 1eei n ARG 35 Cb 0.20 -0.71 -0.03 0.00 -1.16 0.00 0.00 32.46 30.76 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 -1.61 2.90 0.35 5.56 8.01 -1.02 -4.28 118.70 128.61 1eei s GLU 36 Ca 0.32 0.18 -0.17 0.00 0.01 0.00 0.00 54.97 55.31 1eei s GLU 36 Cb 0.36 -4.29 0.05 0.00 -4.31 0.00 0.00 34.13 25.94 1eei s GLU 36 CO -0.11 -2.45 0.80 0.00 0.01 0.00 0.00 175.26 173.51 1eei s MET 37 N 6.40 2.08 0.05 1.61 0.23 -0.94 -4.39 119.30 124.34 1eei s MET 37 Ca 0.51 -1.31 0.06 0.00 -1.03 0.00 0.00 55.69 53.92 1eei s MET 37 Cb -0.10 0.60 -0.03 0.00 -1.53 0.00 0.00 34.83 33.77 1eei s MET 37 CO 0.18 -0.97 -0.16 0.00 -2.03 0.00 0.00 175.02 172.04 1eei s ALA 38 N -2.58 1.30 -0.03 3.16 0.00 -1.25 -1.05 121.76 121.31 1eei s ALA 38 Ca 0.15 -0.93 -0.01 0.00 0.00 0.00 0.00 51.96 51.17 1eei s ALA 38 Cb -0.05 -0.19 0.03 0.00 0.00 0.00 0.00 23.12 22.91 1eei s ALA 38 CO 0.10 0.24 0.05 0.42 0.00 0.00 0.00 175.76 176.58 1eei s ILE 39 N -0.98 -0.05 0.14 0.00 1.01 0.89 -1.89 121.20 120.33 1eei s ILE 39 Ca 0.02 0.18 0.07 0.00 0.00 0.00 0.00 60.65 60.92 1eei s ILE 39 Cb -0.09 -0.11 -0.04 0.00 0.01 0.00 0.00 42.46 42.23 1eei s ILE 39 CO 0.02 0.08 -0.15 0.27 0.00 0.00 0.00 174.94 175.15 1eei s ILE 40 N 0.96 1.48 0.14 2.92 -4.36 -0.45 -0.12 121.20 121.77 1eei s ILE 40 Ca -0.08 -1.84 0.02 0.00 -0.26 0.00 0.00 60.65 58.50 1eei s ILE 40 Cb -0.11 -1.68 -0.04 0.00 1.25 0.00 0.00 42.46 41.88 1eei s ILE 40 CO -0.03 -0.43 -0.03 0.42 0.24 0.00 0.00 174.94 175.11 1eei s THR 41 N -2.27 0.72 0.05 8.37 -4.23 -0.97 -0.25 115.64 117.06 1eei s THR 41 Ca 0.12 -1.97 0.08 0.00 -1.18 0.00 0.00 61.69 58.74 1eei s THR 41 Cb -0.04 -1.94 -0.03 0.00 1.34 0.00 0.00 72.50 71.82 1eei s THR 41 CO 0.04 -0.64 -0.20 -0.36 -0.54 0.00 0.00 174.62 172.93 1eei s PHE 42 N -3.62 2.51 -0.40 3.99 0.40 -0.60 -0.89 117.98 119.37 1eei s PHE 42 Ca 0.19 -0.28 -0.43 0.00 -0.60 0.00 0.00 56.93 55.81 1eei s PHE 42 Cb 0.05 -1.44 -0.18 0.00 0.51 0.00 0.00 43.02 41.97 1eei s PHE 42 CO 0.01 0.25 1.74 1.63 0.70 0.00 0.00 175.22 179.54 1eei n LYS 43 N 1.50 0.56 -2.03 0.44 4.76 -1.26 -0.20 118.16 121.92 1eei n LYS 43 Ca -0.16 0.20 -0.14 0.00 -2.87 0.00 0.00 58.31 55.33 1eei n LYS 43 Cb 0.52 -1.81 -0.03 0.00 -1.84 0.00 0.00 35.03 31.87 1eei n LYS 43 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1eei n ASN 44 N 5.18 -4.11 0.00 4.39 4.13 -1.26 -4.89 115.26 118.70 1eei n ASN 44 Ca 0.32 0.23 0.00 0.00 1.68 0.00 0.00 54.58 56.80 1eei n ASN 44 Cb 0.04 -3.59 0.00 0.00 -1.54 0.00 0.00 39.78 34.69 1eei n ASN 44 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1eei n GLY 45 N -0.62 5.70 3.83 7.41 0.00 0.71 -5.16 105.19 117.06 1eei n GLY 45 Ca -0.16 -1.53 -0.30 0.00 0.00 0.00 0.00 46.02 44.03 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 -2.00 2.35 -0.05 4.61 0.00 -1.26 -4.56 121.76 120.85 1eei s ALA 46 Ca 0.00 -0.36 0.04 0.00 0.00 0.00 0.00 51.96 51.64 1eei s ALA 46 Cb 0.00 -3.05 -0.03 0.00 0.00 0.00 0.00 23.12 20.04 1eei s ALA 46 CO 0.00 -1.70 -0.14 0.99 0.00 0.00 0.00 175.76 174.91 1eei s THR 47 N -3.28 3.08 0.09 0.00 2.01 -1.26 -1.56 115.64 114.72 1eei s THR 47 Ca 0.61 -0.72 0.04 0.00 0.31 0.00 0.00 61.69 61.93 1eei s THR 47 Cb -0.13 -2.21 -0.04 0.00 0.01 0.00 0.00 72.50 70.14 1eei s THR 47 CO 0.53 0.59 -0.10 -0.36 -0.69 0.00 0.00 174.62 174.59 1eei s PHE 48 N -0.73 1.06 0.18 4.92 0.08 0.66 -4.14 117.98 120.01 1eei s PHE 48 Ca 0.11 -0.64 0.06 0.00 0.12 0.00 0.00 56.93 56.58 1eei s PHE 48 Cb -0.11 -0.58 -0.05 0.00 -0.57 0.00 0.00 43.02 41.71 1eei s PHE 48 CO 0.01 0.00 -0.11 1.14 -0.10 0.00 0.00 175.22 176.15 1eei s GLN 49 N -2.70 1.21 -0.30 0.44 -2.07 -0.85 -1.34 119.66 114.05 1eei s GLN 49 Ca 0.05 -1.54 -0.04 0.00 -1.82 0.00 0.00 55.36 52.01 1eei s GLN 49 Cb -0.03 -0.86 0.04 0.00 -1.09 0.00 0.00 33.01 31.06 1eei s GLN 49 CO 0.00 0.11 0.02 0.08 -1.32 0.00 0.00 175.29 174.19 1eei s VAL 50 N -3.16 3.29 0.54 3.63 1.01 -0.79 -0.47 120.40 124.45 1eei s VAL 50 Ca 0.20 -1.16 -0.20 0.00 0.00 0.00 0.00 61.98 60.83 1eei s VAL 50 Cb 0.01 -2.82 -0.07 0.00 0.00 0.00 0.00 36.38 33.51 1eei s VAL 50 CO 0.04 -0.04 0.92 -0.62 0.00 0.00 0.00 175.10 175.41 1eei n GLU 51 N 4.71 1.00 -2.12 2.72 1.02 -1.26 -3.90 120.64 122.80 1eei n GLU 51 Ca -0.14 0.38 -0.41 0.00 -0.02 0.00 0.00 57.16 56.97 1eei n GLU 51 Cb 0.45 -2.08 -0.02 0.00 -0.02 0.00 0.00 31.44 29.77 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 -1.47 2.87 -0.50 2.62 1.01 -1.26 -4.84 120.40 118.83 1eei s VAL 52 Ca 0.71 0.78 -0.28 0.00 0.00 0.00 0.00 61.98 63.19 1eei s VAL 52 Cb -0.46 -3.50 -0.09 0.00 0.00 0.00 0.00 36.38 32.33 1eei s VAL 52 CO 0.51 0.14 2.40 -2.65 0.00 0.00 0.00 175.10 175.51 1eei n PRO 53 N 1.89 1.05 -2.85 2.72 -0.02 -1.26 -4.90 135.00 131.63 1eei n PRO 53 Ca 0.04 0.11 -0.15 0.00 -2.02 0.00 0.00 63.50 61.48 1eei n PRO 53 Cb 0.42 -3.05 -0.00 0.00 -0.02 0.00 0.00 33.50 30.84 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 6.10 2.98 0.27 -1.23 0.00 -1.26 -4.99 105.19 107.05 1eei n GLY 54 Ca 0.40 -2.25 0.11 0.00 0.00 0.00 0.00 46.02 44.29 1eei n GLY 54 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1eei h SER 55 N 0.39 0.00 0.05 1.61 4.64 -2.03 -1.49 113.55 116.72 1eei h SER 55 Ca -0.20 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.12 1eei h SER 55 Cb 0.70 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.79 1eei h SER 55 CO 0.31 0.03 -0.00 0.06 -0.87 0.00 0.00 176.83 176.36 1eei h GLN 56 N 0.00 0.00 -5.91 4.77 -0.00 -1.95 -3.42 115.11 108.60 1eei h GLN 56 Ca -0.00 0.00 -0.60 0.00 -0.00 0.00 0.00 58.65 58.05 1eei h GLN 56 Cb 0.07 0.00 -0.06 0.00 -0.00 0.00 0.00 27.48 27.49 1eei h GLN 56 CO 0.00 0.00 -0.20 -1.01 -0.00 0.00 0.00 178.83 177.62 1eei s HIS 57 N -4.15 3.67 0.37 0.06 3.76 -0.56 -5.09 115.29 113.35 1eei s HIS 57 Ca -0.05 0.94 -0.14 0.00 -0.15 0.00 0.00 55.06 55.66 1eei s HIS 57 Cb 0.13 -2.34 -0.08 0.00 1.11 0.00 0.00 32.58 31.40 1eei s HIS 57 CO 0.42 0.52 0.78 0.96 -0.85 0.00 0.00 174.74 176.57 1eei s ILE 58 N -0.63 4.69 0.39 0.60 -4.36 -1.26 -4.92 121.20 115.71 1eei s ILE 58 Ca 0.23 0.89 0.18 0.00 -0.26 0.00 0.00 60.65 61.68 1eei s ILE 58 Cb -0.16 -3.66 0.38 0.00 1.25 0.00 0.00 42.46 40.28 1eei s ILE 58 CO 0.12 -0.34 1.77 -0.78 0.24 0.00 0.00 174.94 175.95 1eei h ASP 59 N 1.81 0.47 0.02 4.36 3.58 -1.98 -0.30 116.42 124.39 1eei h ASP 59 Ca -0.48 0.09 -0.00 0.00 0.42 0.00 0.00 57.03 57.06 1eei h ASP 59 Cb 1.18 0.01 -0.00 0.00 1.72 0.00 0.00 39.33 42.24 1eei h ASP 59 CO 0.64 0.09 -0.02 0.77 -2.88 0.00 0.00 179.24 177.84 1eei h SER 60 N 0.41 0.00 0.84 2.28 4.64 -2.05 -2.99 113.55 116.68 1eei h SER 60 Ca 0.60 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.85 1eei h SER 60 Cb 1.48 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.56 1eei h SER 60 CO -0.31 0.02 -0.35 1.56 -0.87 0.00 0.00 176.83 176.87 1eei h GLN 61 N 0.00 0.00 -0.31 4.77 4.20 -1.43 -3.36 115.11 118.99 1eei h GLN 61 Ca -0.00 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.77 1eei h GLN 61 Cb 0.03 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 27.73 1eei h GLN 61 CO 0.00 0.35 -0.38 0.87 -0.67 0.00 0.00 178.83 179.01 1eei h LYS 62 N 0.00 -0.34 -0.75 1.46 1.79 -1.64 0.37 116.57 117.46 1eei h LYS 62 Ca -0.00 0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 58.46 1eei h LYS 62 Cb 0.87 0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 31.56 1eei h LYS 62 CO 0.05 -0.22 0.33 0.87 -1.08 0.00 0.00 179.45 179.39 1eei h LYS 63 N -0.35 1.09 -0.29 3.15 1.57 -1.81 -1.06 116.57 118.87 1eei h LYS 63 Ca 0.13 -0.17 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 1eei h LYS 63 Cb 0.57 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 1eei h LYS 63 CO -0.49 0.86 -0.01 0.00 -0.57 0.00 0.00 179.45 179.23 1eei h ALA 64 N 1.29 1.44 -0.50 3.86 0.00 -1.40 0.12 119.26 124.06 1eei h ALA 64 Ca 0.26 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1eei h ALA 64 Cb 0.15 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1eei h ALA 64 CO -0.03 0.40 0.00 0.82 0.00 0.00 0.00 179.25 180.44 1eei h ILE 65 N 0.43 1.26 -0.67 0.00 2.04 0.92 -0.45 117.51 121.04 1eei h ILE 65 Ca 0.09 -1.07 -0.08 0.00 1.00 0.00 0.00 64.86 64.80 1eei h ILE 65 Cb 0.30 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 1eei h ILE 65 CO 0.01 0.38 0.11 -0.33 0.00 0.00 0.00 178.15 178.32 1eei h GLU 66 N 0.75 1.10 -0.45 2.37 4.39 -0.39 -2.77 114.58 119.58 1eei h GLU 66 Ca 0.14 -0.29 -0.04 0.00 0.34 0.00 0.00 59.36 59.52 1eei h GLU 66 Cb 0.51 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.01 1eei h GLU 66 CO 0.02 1.01 0.14 -0.09 -1.16 0.00 0.00 179.01 178.93 1eei h ARG 67 N 1.04 0.70 -0.86 2.33 2.43 -0.61 -2.35 114.38 117.06 1eei h ARG 67 Ca 0.21 -0.15 0.02 0.00 -0.81 0.00 0.00 59.98 59.25 1eei h ARG 67 Cb 0.43 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.84 1eei h ARG 67 CO 0.01 0.68 0.57 1.98 -1.51 0.00 0.00 179.97 181.70 1eei h MET 68 N 0.59 1.08 -0.24 0.20 4.05 -0.87 0.40 114.93 120.14 1eei h MET 68 Ca 0.14 -0.06 -0.14 0.00 -0.28 0.00 0.00 59.70 59.36 1eei h MET 68 Cb 0.27 -0.24 -0.01 0.00 -0.80 0.00 0.00 31.60 30.82 1eei h MET 68 CO -0.00 0.71 -0.43 0.87 0.23 0.00 0.00 176.91 178.29 1eei h LYS 69 N 1.11 0.59 -0.24 0.39 1.57 -1.24 0.03 116.57 118.79 1eei h LYS 69 Ca 0.33 -0.32 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1eei h LYS 69 Cb -0.04 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1eei h LYS 69 CO -0.09 0.91 0.07 -0.44 -0.57 0.00 0.00 179.45 179.33 1eei h ASP 70 N 0.48 0.36 -0.41 0.86 3.32 -0.84 -1.53 116.42 118.65 1eei h ASP 70 Ca 0.03 -0.22 0.05 0.00 0.02 0.00 0.00 57.03 56.92 1eei h ASP 70 Cb 0.95 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 40.36 1eei h ASP 70 CO 0.09 0.48 0.14 0.74 -1.72 0.00 0.00 179.24 178.97 1eei h THR 71 N 0.21 0.87 -0.68 0.35 2.02 -0.69 -0.48 112.91 114.51 1eei h THR 71 Ca 0.08 -0.10 -0.04 0.00 0.77 0.00 0.00 66.41 67.12 1eei h THR 71 Cb 0.26 0.54 -0.03 0.00 -1.74 0.00 0.00 68.15 67.18 1eei h THR 71 CO -0.00 0.05 0.29 -0.07 0.37 0.00 0.00 175.52 176.16 1eei h LEU 72 N 0.30 0.91 -0.15 2.58 3.38 -0.87 -0.74 115.31 120.72 1eei h LEU 72 Ca 0.19 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1eei h LEU 72 Cb 0.18 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1eei h LEU 72 CO -0.20 0.80 0.05 -0.09 0.09 0.00 0.00 178.44 179.10 1eei h ARG 73 N 0.98 0.23 -0.27 1.13 2.43 -0.20 -1.90 114.38 116.79 1eei h ARG 73 Ca 0.23 -0.05 -0.17 0.00 -0.81 0.00 0.00 59.98 59.19 1eei h ARG 73 Cb 0.17 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1eei h ARG 73 CO -0.02 0.34 -0.51 0.97 -1.51 0.00 0.00 179.97 179.24 1eei h ILE 74 N 0.07 1.29 -0.87 1.20 2.10 -0.89 -0.77 117.51 119.64 1eei h ILE 74 Ca 0.05 -1.71 0.00 0.00 1.08 0.00 0.00 64.86 64.29 1eei h ILE 74 Cb 0.20 1.62 -0.04 0.00 -1.09 0.00 0.00 36.82 37.51 1eei h ILE 74 CO -0.00 0.55 0.57 0.00 -1.08 0.00 0.00 178.15 178.18 1eei h ALA 75 N 0.83 1.11 0.35 0.18 0.00 -1.15 0.15 119.26 120.74 1eei h ALA 75 Ca 0.02 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1eei h ALA 75 Cb 1.08 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1eei h ALA 75 CO 0.11 0.53 -0.17 -0.92 0.00 0.00 0.00 179.25 178.80 1eei h TYR 76 N 1.19 -0.44 -0.60 0.00 3.20 -1.12 0.31 116.97 119.51 1eei h TYR 76 Ca 0.32 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.24 1eei h TYR 76 Cb -0.11 0.15 -0.05 0.00 1.54 0.00 0.00 36.73 38.25 1eei h TYR 76 CO -0.01 -0.22 0.31 -0.07 -1.64 0.00 0.00 178.16 176.54 1eei h LEU 77 N -0.57 0.44 -0.08 2.82 3.38 -0.80 -1.55 115.31 118.95 1eei h LEU 77 Ca -0.05 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1eei h LEU 77 Cb 0.42 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1eei h LEU 77 CO 0.08 0.29 -0.03 0.35 0.09 0.00 0.00 178.44 179.22 1eei n THR 78 N -4.85 0.00 -2.89 0.22 -2.24 0.51 -4.91 114.28 100.12 1eei n THR 78 Ca 0.07 -0.02 -0.22 0.00 -2.27 0.00 0.00 64.05 61.61 1eei n THR 78 Cb 0.17 -0.37 0.03 0.00 -2.10 0.00 0.00 70.33 68.06 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 -1.11 -4.25 -2.24 -0.78 1.02 0.85 -4.94 120.64 109.19 1eei n GLU 79 Ca 0.16 0.94 -0.41 0.00 -0.02 0.00 0.00 57.16 57.83 1eei n GLU 79 Cb 0.23 -5.77 -0.03 0.00 -0.02 0.00 0.00 31.44 25.85 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 -3.16 3.51 0.09 0.62 0.00 0.14 -4.77 121.76 118.19 1eei s ALA 80 Ca 0.24 1.08 -0.31 0.00 0.00 0.00 0.00 51.96 52.97 1eei s ALA 80 Cb -0.11 -3.48 -0.07 0.00 0.00 0.00 0.00 23.12 19.47 1eei s ALA 80 CO 0.30 -0.52 1.31 0.21 0.00 0.00 0.00 175.76 177.06 1eei s LYS 81 N -0.00 4.36 -0.09 0.00 2.20 -1.26 -4.24 119.74 120.71 1eei s LYS 81 Ca 0.57 1.95 -0.20 0.00 -0.36 0.00 0.00 55.97 57.92 1eei s LYS 81 Cb -0.36 -3.30 -0.04 0.00 -1.51 0.00 0.00 37.83 32.62 1eei s LYS 81 CO 0.37 -0.37 0.55 0.08 -0.36 0.00 0.00 175.35 175.63 1eei s VAL 82 N 1.12 5.11 -0.01 4.02 1.01 0.45 -4.12 120.40 127.98 1eei s VAL 82 Ca 0.62 1.13 -0.00 0.00 0.00 0.00 0.00 61.98 63.73 1eei s VAL 82 Cb -0.34 -3.89 -0.00 0.00 0.00 0.00 0.00 36.38 32.15 1eei s VAL 82 CO 0.30 0.32 0.08 -0.08 0.00 0.00 0.00 175.10 175.71 1eei h GLU 83 N 6.55 -0.01 -4.36 2.72 4.81 -1.41 0.39 114.58 123.28 1eei h GLU 83 Ca -0.42 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 58.66 1eei h GLU 83 Cb 1.19 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 30.42 1eei h GLU 83 CO 0.74 -0.01 -0.69 0.15 -0.73 0.00 0.00 179.01 178.48 1eei s LYS 84 N -1.23 0.67 -0.03 1.92 1.02 -1.16 -0.65 119.74 120.28 1eei s LYS 84 Ca -0.00 -1.24 0.04 0.00 0.02 0.00 0.00 55.97 54.79 1eei s LYS 84 Cb 0.00 0.09 -0.01 0.00 -0.52 0.00 0.00 37.83 37.39 1eei s LYS 84 CO 0.01 -0.08 -0.17 -0.51 -0.92 0.00 0.00 175.35 173.68 1eei s LEU 85 N -2.93 1.93 -0.22 3.17 1.43 0.81 -1.75 118.68 121.12 1eei s LEU 85 Ca 0.08 -0.33 -0.07 0.00 -1.03 0.00 0.00 54.13 52.78 1eei s LEU 85 Cb 0.07 -0.92 -0.03 0.00 0.03 0.00 0.00 46.19 45.34 1eei s LEU 85 CO -0.08 0.16 0.05 0.00 0.23 0.00 0.00 176.35 176.70 1eei s VAL 87 N 1.24 1.10 -0.12 0.00 -7.23 -0.47 0.13 120.40 115.05 1eei s VAL 87 Ca 0.04 -2.05 -0.19 0.00 -1.81 0.00 0.00 61.98 57.97 1eei s VAL 87 Cb -0.15 -2.14 -0.04 0.00 0.56 0.00 0.00 36.38 34.62 1eei s VAL 87 CO 0.03 -0.50 0.52 0.26 -0.31 0.00 0.00 175.10 175.10 1eei s TRP 88 N -3.38 3.50 -0.22 2.82 0.51 0.89 -1.93 118.94 121.14 1eei s TRP 88 Ca 0.24 0.93 0.15 0.00 -2.12 0.00 0.00 56.10 55.29 1eei s TRP 88 Cb 0.04 -2.61 0.71 0.00 -0.81 0.00 0.00 33.47 30.80 1eei s TRP 88 CO 0.05 0.11 1.62 0.27 -0.51 0.00 0.00 176.95 178.50 1eei n ASN 89 N 3.87 4.99 -1.13 2.95 0.23 0.49 -2.29 115.26 124.37 1eei n ASN 89 Ca -0.06 -2.98 0.08 0.00 -0.53 0.00 0.00 54.58 51.10 1eei n ASN 89 Cb 0.51 -0.63 0.29 0.00 -2.08 0.00 0.00 39.78 37.87 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 0.15 4.27 -4.06 0.53 6.94 -1.26 -4.93 115.26 116.89 1eei n ASN 90 Ca 0.25 -2.91 -0.12 0.00 -0.02 0.00 0.00 54.58 51.79 1eei n ASN 90 Cb 1.08 -0.56 -0.11 0.00 -2.36 0.00 0.00 39.78 37.83 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 -2.65 0.53 -0.04 -3.83 -0.14 -1.26 -5.09 119.74 107.26 1eei s LYS 91 Ca 0.44 -0.82 -0.02 0.00 -1.36 0.00 0.00 55.97 54.21 1eei s LYS 91 Cb 0.34 -0.19 0.03 0.00 -1.68 0.00 0.00 37.83 36.33 1eei s LYS 91 CO 0.12 0.02 0.07 0.99 -0.76 0.00 0.00 175.35 175.79 1eei s THR 92 N -1.77 -0.11 1.08 2.17 2.01 -1.26 -2.77 115.64 114.99 1eei s THR 92 Ca -0.08 0.31 -0.12 0.00 0.31 0.00 0.00 61.69 62.11 1eei s THR 92 Cb -0.07 -0.16 0.24 0.00 0.01 0.00 0.00 72.50 72.51 1eei s THR 92 CO -0.01 0.13 1.06 -2.84 -0.69 0.00 0.00 174.62 172.27 1eei s PRO 93 N 1.66 -0.24 0.30 4.92 0.02 -1.26 -5.03 135.00 135.37 1eei s PRO 93 Ca -0.02 0.94 -0.30 0.00 0.02 0.00 0.00 61.00 61.64 1eei s PRO 93 Cb -0.12 -1.63 -0.13 0.00 0.02 0.00 0.00 34.50 32.65 1eei s PRO 93 CO -0.04 -3.30 1.39 0.72 -0.33 0.00 0.00 177.00 175.45 1eei n HIS 94 N -4.63 2.36 -3.34 6.54 8.25 -1.11 -4.58 115.22 118.70 1eei n HIS 94 Ca 0.05 0.45 -0.38 0.00 -0.26 0.00 0.00 57.72 57.59 1eei n HIS 94 Cb 0.54 -2.47 -0.06 0.00 1.12 0.00 0.00 29.99 29.13 1eei n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1eei s ALA 95 N -0.53 3.54 -0.10 -1.41 0.00 -0.97 -2.01 121.76 120.28 1eei s ALA 95 Ca 0.61 -0.16 -0.30 0.00 0.00 0.00 0.00 51.96 52.12 1eei s ALA 95 Cb -0.58 -2.59 -0.03 0.00 0.00 0.00 0.00 23.12 19.91 1eei s ALA 95 CO 0.55 0.16 1.30 0.42 0.00 0.00 0.00 175.76 178.20 1eei s ILE 96 N 0.00 4.12 -0.23 0.00 1.01 0.37 -0.08 121.20 126.41 1eei s ILE 96 Ca 0.26 1.41 0.09 0.00 0.00 0.00 0.00 60.65 62.41 1eei s ILE 96 Cb -0.16 -3.91 -0.20 0.00 0.01 0.00 0.00 42.46 38.20 1eei s ILE 96 CO 0.12 -0.07 -0.09 0.00 0.00 0.00 0.00 174.94 174.90 1eei n ALA 97 N 6.06 1.48 -3.52 9.38 0.00 0.12 -4.81 120.51 129.22 1eei n ALA 97 Ca 0.13 -1.18 -0.10 0.00 0.00 0.00 0.00 53.44 52.29 1eei n ALA 97 Cb 0.45 -0.12 -0.02 0.00 0.00 0.00 0.00 19.45 19.75 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 -2.49 -1.42 -0.02 0.00 0.00 -0.82 -4.98 121.76 112.01 1eei s ALA 98 Ca -0.23 0.19 -0.02 0.00 0.00 0.00 0.00 51.96 51.90 1eei s ALA 98 Cb 0.07 0.87 0.01 0.00 0.00 0.00 0.00 23.12 24.07 1eei s ALA 98 CO 0.68 -0.84 0.06 -1.50 0.00 0.00 0.00 175.76 174.16 1eei s ILE 99 N -3.81 -0.00 0.09 0.00 2.07 -1.26 -1.38 121.20 116.90 1eei s ILE 99 Ca 0.05 0.01 0.10 0.00 -1.41 0.00 0.00 60.65 59.40 1eei s ILE 99 Cb -0.02 -0.10 -0.03 0.00 0.13 0.00 0.00 42.46 42.43 1eei s ILE 99 CO -0.07 0.01 -0.27 -0.94 -1.91 0.00 0.00 174.94 171.76 1eei s SER 100 N 0.10 3.24 -0.02 4.50 1.04 -0.72 -5.01 113.70 116.83 1eei s SER 100 Ca -0.01 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 55.76 1eei s SER 100 Cb -0.01 -0.26 0.03 0.00 0.10 0.00 0.00 66.02 65.88 1eei s SER 100 CO -0.00 0.22 0.01 -0.04 0.98 0.00 0.00 173.24 174.41 1eei s MET 101 N -1.63 0.12 -0.01 4.02 -1.94 -1.26 -1.25 119.30 117.35 1eei s MET 101 Ca 0.13 0.13 -0.27 0.00 -1.71 0.00 0.00 55.69 53.97 1eei s MET 101 Cb -0.10 -0.35 0.06 0.00 2.01 0.00 0.00 34.83 36.45 1eei s MET 101 CO 0.04 -0.15 0.60 0.00 -0.01 0.00 0.00 175.02 175.50 1eei s ALA 102 N 1.01 -1.55 -2.20 3.03 0.00 -1.26 -4.88 121.76 115.91 1eei s ALA 102 Ca -0.09 0.97 0.30 0.00 0.00 0.00 0.00 51.96 53.14 1eei s ALA 102 Cb -0.13 0.17 1.57 0.00 0.00 0.00 0.00 23.12 24.73 1eei s ALA 102 CO -0.02 -0.42 2.04 -1.71 0.00 0.00 0.00 175.76 175.64