#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n4z s ASP 2 N 0.00 6.30 0.04 4.52 3.68 -1.26 -4.98 116.67 124.98 3n4z s ASP 2 Ca 0.00 -1.95 -0.09 0.00 2.13 0.00 0.00 52.55 52.64 3n4z s ASP 2 Cb 0.00 -2.21 -0.02 0.00 -1.45 0.00 0.00 42.92 39.24 3n4z s ASP 2 CO 0.00 -0.81 1.05 0.33 0.13 0.00 0.00 175.17 175.87 3n4z n PHE 3 N 5.04 -0.12 -0.27 -5.34 7.35 -1.26 -1.31 117.46 121.54 3n4z n PHE 3 Ca -0.09 0.34 0.07 0.00 -0.76 0.00 0.00 57.45 57.02 3n4z n PHE 3 Cb 0.41 -0.49 0.22 0.00 0.35 0.00 0.00 39.48 39.98 3n4z n PHE 3 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3n4z h ALA 4 N -0.49 1.16 -0.12 3.13 0.00 -1.98 0.20 119.26 121.16 3n4z h ALA 4 Ca 0.04 0.13 -0.19 0.00 0.00 0.00 0.00 54.91 54.90 3n4z h ALA 4 Cb 0.11 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3n4z h ALA 4 CO -0.26 -0.25 -0.70 0.35 0.00 0.00 0.00 179.25 178.39 3n4z h PHE 5 N 0.43 0.72 -0.02 0.00 3.57 -1.71 -1.76 116.94 118.17 3n4z h PHE 5 Ca 0.46 -0.30 -0.22 0.00 3.53 0.00 0.00 57.97 61.44 3n4z h PHE 5 Cb 0.75 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.37 3n4z h PHE 5 CO -0.17 1.07 -0.90 0.93 -2.23 0.00 0.00 178.31 177.02 3n4z h GLU 6 N 0.38 0.40 0.17 1.11 4.39 -0.34 -1.16 114.58 119.53 3n4z h GLU 6 Ca -0.03 -0.41 -0.01 0.00 0.34 0.00 0.00 59.36 59.26 3n4z h GLU 6 Cb 1.28 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 30.04 3n4z h GLU 6 CO 0.13 1.07 -0.08 1.25 -1.16 0.00 0.00 179.01 180.22 3n4z h LEU 7 N 0.23 -0.19 -0.95 1.33 5.85 -0.60 0.65 115.31 121.63 3n4z h LEU 7 Ca -0.07 -0.13 0.09 0.00 0.84 0.00 0.00 57.88 58.62 3n4z h LEU 7 Cb 1.52 0.05 -0.07 0.00 0.37 0.00 0.00 40.66 42.53 3n4z h LEU 7 CO 0.15 0.01 0.59 0.11 -0.34 0.00 0.00 178.44 178.97 3n4z h LYS 8 N -0.39 0.99 -0.26 1.25 6.56 -1.29 -1.04 116.57 122.38 3n4z h LYS 8 Ca -0.02 -0.06 -0.18 0.00 -1.06 0.00 0.00 60.65 59.33 3n4z h LYS 8 Cb 0.31 -0.22 -0.00 0.00 -0.57 0.00 0.00 32.23 31.74 3n4z h LYS 8 CO 0.04 0.65 -0.55 -0.22 -2.06 0.00 0.00 179.45 177.31 3n4z h LYS 9 N 1.02 0.78 -0.85 3.15 3.64 -0.97 -1.95 116.57 121.39 3n4z h LYS 9 Ca 0.44 -0.50 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 3n4z h LYS 9 Cb 0.31 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.15 3n4z h LYS 9 CO -0.22 1.12 0.48 0.00 -2.27 0.00 0.00 179.45 178.56 3n4z h ALA 10 N 0.78 1.25 -0.21 5.00 0.00 -0.44 0.32 119.26 125.95 3n4z h ALA 10 Ca 0.01 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 3n4z h ALA 10 Cb 1.14 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 3n4z h ALA 10 CO 0.12 0.62 -0.13 0.37 0.00 0.00 0.00 179.25 180.23 3n4z h GLN 11 N 1.18 0.34 0.08 0.00 4.15 -1.01 0.16 115.11 120.01 3n4z h GLN 11 Ca 0.30 -0.09 -0.35 0.00 0.77 0.00 0.00 58.65 59.28 3n4z h GLN 11 Cb 0.00 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.62 3n4z h GLN 11 CO -0.05 0.47 -2.02 -0.25 -1.93 0.00 0.00 178.83 175.05 3n4z n ASP 12 N -4.24 1.73 -0.00 -0.69 8.00 -0.64 -4.38 116.55 116.33 3n4z n ASP 12 Ca -0.00 0.20 0.07 0.00 0.71 0.00 0.00 54.79 55.76 3n4z n ASP 12 Cb 0.29 -0.54 -0.09 0.00 -0.02 0.00 0.00 41.12 40.76 3n4z n ASP 12 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3n4z n THR 13 N -3.32 0.00 -0.45 -3.53 -2.24 0.01 -5.03 114.28 99.72 3n4z n THR 13 Ca -0.31 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 3n4z n THR 13 Cb 1.05 0.66 0.00 0.00 -2.10 0.00 0.00 70.33 69.94 3n4z n THR 13 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3n4z n GLY 14 N 1.47 3.75 2.76 3.38 0.00 0.55 -4.52 105.19 112.58 3n4z n GLY 14 Ca 0.00 -1.72 -0.19 0.00 0.00 0.00 0.00 46.02 44.12 3n4z n GLY 14 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3n4z s LYS 15 N 4.39 0.04 0.02 1.61 2.20 0.64 -4.85 119.74 123.79 3n4z s LYS 15 Ca 0.00 0.38 0.07 0.00 -0.36 0.00 0.00 55.97 56.06 3n4z s LYS 15 Cb 0.00 -0.70 -0.02 0.00 -1.51 0.00 0.00 37.83 35.60 3n4z s LYS 15 CO 0.00 -0.42 -0.22 0.96 -0.36 0.00 0.00 175.35 175.31 3n4z s ILE 16 N 2.26 1.74 -0.10 5.43 -4.36 -1.26 -0.70 121.20 124.21 3n4z s ILE 16 Ca 0.04 -1.09 0.02 0.00 -0.26 0.00 0.00 60.65 59.36 3n4z s ILE 16 Cb -0.13 -1.48 -0.02 0.00 1.25 0.00 0.00 42.46 42.08 3n4z s ILE 16 CO -0.07 0.35 -0.16 -0.69 0.24 0.00 0.00 174.94 174.62 3n4z s VAL 17 N -0.66 2.83 0.09 8.37 1.01 0.35 -4.95 120.40 127.45 3n4z s VAL 17 Ca 0.08 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.34 3n4z s VAL 17 Cb -0.09 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 3n4z s VAL 17 CO 0.01 0.55 0.04 -0.04 0.00 0.00 0.00 175.10 175.66 3n4z s MET 18 N -0.02 2.73 0.00 2.72 -1.94 -1.26 0.23 119.30 121.76 3n4z s MET 18 Ca -0.05 -0.77 0.00 0.00 -1.71 0.00 0.00 55.69 53.16 3n4z s MET 18 Cb -0.14 -2.63 0.00 0.00 2.01 0.00 0.00 34.83 34.06 3n4z s MET 18 CO 0.04 0.55 0.00 0.41 -0.01 0.00 0.00 175.02 176.01 3n4z n GLY 19 N 0.46 2.57 0.33 -0.03 0.00 0.71 -4.67 105.19 104.56 3n4z n GLY 19 Ca -0.10 -1.80 -0.06 0.00 0.00 0.00 0.00 46.02 44.06 3n4z n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n4z h ALA 20 N 0.00 1.03 -0.53 4.61 0.00 -1.92 -2.29 119.26 120.17 3n4z h ALA 20 Ca 0.00 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.57 3n4z h ALA 20 Cb 0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3n4z h ALA 20 CO 0.00 0.64 -0.13 -0.22 0.00 0.00 0.00 179.25 179.55 3n4z h LYS 21 N 1.04 1.00 0.04 0.00 3.64 -1.93 -0.76 116.57 119.61 3n4z h LYS 21 Ca 0.22 -0.38 -0.23 0.00 -1.27 0.00 0.00 60.65 59.00 3n4z h LYS 21 Cb 0.32 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 3n4z h LYS 21 CO -0.00 1.06 -1.08 0.87 -2.27 0.00 0.00 179.45 178.02 3n4z h LYS 22 N 0.89 0.10 -0.46 1.90 1.57 -1.83 -3.08 116.57 115.66 3n4z h LYS 22 Ca 0.13 -0.17 -0.10 0.00 -1.87 0.00 0.00 60.65 58.65 3n4z h LYS 22 Cb 0.69 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.04 3n4z h LYS 22 CO 0.05 1.07 -0.12 0.77 -0.57 0.00 0.00 179.45 180.66 3n4z h SER 23 N 0.03 0.84 -0.72 0.86 0.02 -1.14 -1.67 113.55 111.77 3n4z h SER 23 Ca -0.05 -0.26 -0.03 0.00 -0.84 0.00 0.00 61.79 60.60 3n4z h SER 23 Cb 1.83 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 64.11 3n4z h SER 23 CO 0.16 0.98 0.31 0.40 -1.14 0.00 0.00 176.83 177.54 3n4z h ILE 24 N 0.76 1.24 -0.15 3.27 2.04 -1.21 -1.70 117.51 121.76 3n4z h ILE 24 Ca 0.12 -0.73 -0.00 0.00 1.00 0.00 0.00 64.86 65.26 3n4z h ILE 24 Cb 0.62 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 3n4z h ILE 24 CO 0.04 0.30 0.08 1.56 0.00 0.00 0.00 178.15 180.13 3n4z h GLN 25 N 1.02 0.21 -0.37 2.37 1.08 -1.36 0.60 115.11 118.66 3n4z h GLN 25 Ca 0.24 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.42 3n4z h GLN 25 Cb 0.17 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.54 3n4z h GLN 25 CO -0.03 0.23 0.22 1.88 -0.95 0.00 0.00 178.83 180.19 3n4z h TYR 26 N 0.14 0.47 -0.13 2.96 0.05 -1.23 0.24 116.97 119.47 3n4z h TYR 26 Ca 0.05 0.01 -0.10 0.00 0.05 0.00 0.00 58.73 58.74 3n4z h TYR 26 Cb 0.08 -0.16 0.00 0.00 1.01 0.00 0.00 36.73 37.66 3n4z h TYR 26 CO -0.04 0.31 -0.30 0.00 -1.05 0.00 0.00 178.16 177.09 3n4z h ALA 27 N 1.75 0.21 0.53 3.88 0.00 -0.90 0.25 119.26 124.99 3n4z h ALA 27 Ca 0.13 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 3n4z h ALA 27 Cb -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3n4z h ALA 27 CO -0.03 0.24 -0.28 -0.22 0.00 0.00 0.00 179.25 178.97 3n4z h LYS 28 N 0.03 -0.72 -0.13 0.00 3.64 -0.52 -3.32 116.57 115.56 3n4z h LYS 28 Ca 0.00 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3n4z h LYS 28 Cb 0.90 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 3n4z h LYS 28 CO 0.07 -0.48 0.00 -1.33 -2.27 0.00 0.00 179.45 175.44 3n4z n MET 29 N -5.42 1.82 0.00 1.90 2.81 0.81 -4.83 117.12 114.21 3n4z n MET 29 Ca -0.12 -1.77 0.00 0.00 -1.81 0.00 0.00 57.70 54.00 3n4z n MET 29 Cb 0.32 -1.38 0.00 0.00 -0.71 0.00 0.00 33.22 31.45 3n4z n MET 29 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3n4z n GLY 30 N 1.09 -2.48 0.00 3.03 0.00 0.89 -5.00 105.19 102.72 3n4z n GLY 30 Ca 0.13 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.55 3n4z n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n4z n GLY 31 N -0.78 0.82 3.14 -0.02 0.00 -1.26 -4.48 105.19 102.61 3n4z n GLY 31 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 3n4z n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n4z s ALA 32 N -2.00 0.99 -0.20 4.61 0.00 -1.26 -4.74 121.76 119.16 3n4z s ALA 32 Ca 0.00 -0.97 0.20 0.00 0.00 0.00 0.00 51.96 51.20 3n4z s ALA 32 Cb 0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.05 3n4z s ALA 32 CO 0.00 0.07 0.99 0.87 0.00 0.00 0.00 175.76 177.69 3n4z h LYS 33 N 4.21 0.00 -1.87 0.00 1.79 -0.95 -3.47 116.57 116.28 3n4z h LYS 33 Ca -0.39 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.07 3n4z h LYS 33 Cb 1.19 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 31.62 3n4z h LYS 33 CO 0.43 0.11 0.24 -1.17 -1.08 0.00 0.00 179.45 177.97 3n4z s LEU 34 N -5.55 -0.65 -0.08 2.94 2.96 -1.10 -4.30 118.68 112.90 3n4z s LEU 34 Ca -0.01 1.22 0.04 0.00 -0.22 0.00 0.00 54.13 55.16 3n4z s LEU 34 Cb 0.09 2.29 -0.00 0.00 0.50 0.00 0.00 46.19 49.07 3n4z s LEU 34 CO 0.79 -0.24 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.73 3n4z s ILE 35 N 0.23 1.86 -0.14 6.68 1.01 -0.42 0.24 121.20 130.66 3n4z s ILE 35 Ca 0.00 -0.92 -0.01 0.00 0.00 0.00 0.00 60.65 59.72 3n4z s ILE 35 Cb -0.05 -1.61 -0.02 0.00 0.01 0.00 0.00 42.46 40.80 3n4z s ILE 35 CO -0.01 0.52 -0.12 -0.63 0.00 0.00 0.00 174.94 174.70 3n4z s ILE 36 N 0.23 3.16 -0.01 2.92 1.01 -0.17 -0.69 121.20 127.66 3n4z s ILE 36 Ca -0.13 -0.62 0.06 0.00 0.00 0.00 0.00 60.65 59.96 3n4z s ILE 36 Cb -0.16 -2.34 -0.02 0.00 0.01 0.00 0.00 42.46 39.95 3n4z s ILE 36 CO 0.06 0.52 -0.20 0.68 0.00 0.00 0.00 174.94 176.00 3n4z s VAL 37 N 0.38 1.58 0.68 2.92 -7.23 -0.60 -0.86 120.40 117.27 3n4z s VAL 37 Ca -0.10 -0.89 -0.13 0.00 -1.81 0.00 0.00 61.98 59.05 3n4z s VAL 37 Cb -0.16 -1.32 0.01 0.00 0.56 0.00 0.00 36.38 35.47 3n4z s VAL 37 CO 0.05 0.41 1.08 0.00 -0.31 0.00 0.00 175.10 176.33 3n4z s ALA 38 N -0.51 2.52 0.25 1.32 0.00 0.29 -0.96 121.76 124.67 3n4z s ALA 38 Ca 0.08 0.33 -0.04 0.00 0.00 0.00 0.00 51.96 52.32 3n4z s ALA 38 Cb -0.08 -3.25 0.28 0.00 0.00 0.00 0.00 23.12 20.07 3n4z s ALA 38 CO -0.00 -1.29 1.77 0.00 0.00 0.00 0.00 175.76 176.24 3n4z h ARG 39 N -0.36 0.94 -0.70 0.00 3.08 -0.69 -2.93 114.38 113.72 3n4z h ARG 39 Ca -0.45 -0.22 -0.13 0.00 0.07 0.00 0.00 59.98 59.25 3n4z h ARG 39 Cb 1.23 -0.13 -0.08 0.00 0.08 0.00 0.00 29.97 31.07 3n4z h ARG 39 CO 0.55 0.85 0.16 0.27 -1.07 0.00 0.00 179.97 180.74 3n4z n ASN 40 N -4.24 5.13 -4.77 7.04 6.94 -1.26 -4.95 115.26 119.14 3n4z n ASN 40 Ca 0.04 -3.07 -0.38 0.00 -0.02 0.00 0.00 54.58 51.15 3n4z n ASN 40 Cb 0.25 -0.72 -0.00 0.00 -2.36 0.00 0.00 39.78 36.95 3n4z n ASN 40 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3n4z s ALA 41 N -2.84 3.01 0.22 -2.53 0.00 -1.11 -4.89 121.76 113.63 3n4z s ALA 41 Ca 0.54 1.05 -0.29 0.00 0.00 0.00 0.00 51.96 53.26 3n4z s ALA 41 Cb 0.42 -3.43 -0.16 0.00 0.00 0.00 0.00 23.12 19.95 3n4z s ALA 41 CO 0.14 -0.79 0.77 1.63 0.00 0.00 0.00 175.76 177.52 3n4z n LYS 42 N -0.41 0.56 -0.28 0.00 5.02 -1.26 -4.67 118.16 117.12 3n4z n LYS 42 Ca 0.07 0.20 -0.02 0.00 -2.02 0.00 0.00 58.31 56.54 3n4z n LYS 42 Cb 0.47 -1.40 0.10 0.00 -0.02 0.00 0.00 35.03 34.18 3n4z n LYS 42 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 3n4z h PRO 43 N 1.66 0.92 -0.65 1.97 0.11 -1.96 -0.40 132.00 133.64 3n4z h PRO 43 Ca -0.34 -0.06 0.12 0.00 0.11 0.00 0.00 66.00 65.83 3n4z h PRO 43 Cb 1.40 -0.21 -0.12 0.00 0.11 0.00 0.00 31.00 32.18 3n4z h PRO 43 CO 0.60 0.61 -0.26 0.22 -0.21 0.00 0.00 178.00 178.96 3n4z h ASP 44 N 0.94 -0.91 -0.25 -2.05 3.58 -2.00 -1.76 116.42 113.98 3n4z h ASP 44 Ca 0.32 0.22 -0.06 0.00 0.42 0.00 0.00 57.03 57.93 3n4z h ASP 44 Cb 0.06 0.51 -0.01 0.00 1.72 0.00 0.00 39.33 41.61 3n4z h ASP 44 CO -0.13 -0.27 -0.07 0.40 -2.88 0.00 0.00 179.24 176.29 3n4z h ILE 45 N -0.08 1.29 -0.48 2.25 1.08 -1.44 -2.64 117.51 117.48 3n4z h ILE 45 Ca 0.28 -1.09 -0.00 0.00 -0.39 0.00 0.00 64.86 63.66 3n4z h ILE 45 Cb 0.53 1.49 -0.02 0.00 -3.07 0.00 0.00 36.82 35.75 3n4z h ILE 45 CO -0.70 0.34 0.29 0.11 -0.69 0.00 0.00 178.15 177.50 3n4z h LYS 46 N 0.23 0.66 0.23 2.37 1.57 -1.09 -2.35 116.57 118.18 3n4z h LYS 46 Ca 0.06 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3n4z h LYS 46 Cb 0.54 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.69 3n4z h LYS 46 CO 0.03 0.49 -0.30 1.49 -0.57 0.00 0.00 179.45 180.58 3n4z h GLU 47 N 0.64 -0.57 -0.18 3.15 4.81 -1.31 -1.84 114.58 119.28 3n4z h GLU 47 Ca 0.17 0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.46 3n4z h GLU 47 Cb 0.00 0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 3n4z h GLU 47 CO -0.03 -0.38 0.05 -0.44 -0.73 0.00 0.00 179.01 177.48 3n4z h ASP 48 N -0.59 0.04 -0.78 1.04 3.32 -1.38 -0.91 116.42 117.15 3n4z h ASP 48 Ca 0.00 0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.11 3n4z h ASP 48 Cb 0.57 0.02 -0.05 0.00 0.22 0.00 0.00 39.33 40.09 3n4z h ASP 48 CO -0.11 0.05 0.49 0.40 -1.72 0.00 0.00 179.24 178.36 3n4z h ILE 49 N 0.13 1.10 -0.28 0.35 2.04 -1.38 0.26 117.51 119.72 3n4z h ILE 49 Ca 0.08 -0.33 -0.16 0.00 1.00 0.00 0.00 64.86 65.45 3n4z h ILE 49 Cb 0.06 0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 36.20 3n4z h ILE 49 CO -0.09 0.17 -0.44 -0.33 0.00 0.00 0.00 178.15 177.46 3n4z h GLU 50 N 0.95 0.80 -0.35 2.37 5.08 -0.97 0.42 114.58 122.88 3n4z h GLU 50 Ca 0.32 -0.48 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 3n4z h GLU 50 Cb 0.05 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 3n4z h GLU 50 CO -0.12 1.11 0.20 -0.92 -1.00 0.00 0.00 179.01 178.28 3n4z h TYR 51 N 0.55 0.47 -0.16 4.33 3.20 -0.93 -2.17 116.97 122.26 3n4z h TYR 51 Ca 0.02 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.86 3n4z h TYR 51 Cb 1.04 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 39.15 3n4z h TYR 51 CO 0.08 0.35 -0.00 1.88 -1.64 0.00 0.00 178.16 178.82 3n4z h TYR 52 N 0.45 0.32 -0.88 -3.82 0.05 -0.92 -3.13 116.97 109.03 3n4z h TYR 52 Ca 0.12 -0.06 0.05 0.00 0.05 0.00 0.00 58.73 58.90 3n4z h TYR 52 Cb 0.02 -0.08 -0.05 0.00 1.01 0.00 0.00 36.73 37.63 3n4z h TYR 52 CO -0.03 0.51 0.57 0.00 -1.05 0.00 0.00 178.16 178.16 3n4z h ALA 53 N 0.76 1.50 -0.60 3.88 0.00 -0.89 0.40 119.26 124.32 3n4z h ALA 53 Ca 0.05 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3n4z h ALA 53 Cb 0.39 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3n4z h ALA 53 CO 0.01 0.38 0.20 1.57 0.00 0.00 0.00 179.25 181.41 3n4z h LYS 54 N 1.03 0.93 -0.23 0.00 5.09 -1.40 0.26 116.57 122.25 3n4z h LYS 54 Ca 0.37 -0.19 -0.11 0.00 0.09 0.00 0.00 60.65 60.80 3n4z h LYS 54 Cb 0.14 -0.14 -0.01 0.00 0.10 0.00 0.00 32.23 32.32 3n4z h LYS 54 CO -0.13 0.82 -0.33 -0.07 -2.09 0.00 0.00 179.45 177.65 3n4z h LEU 55 N 0.85 0.50 -0.49 7.07 -0.00 -1.34 -2.81 115.31 119.08 3n4z h LEU 55 Ca 0.20 -0.19 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 3n4z h LEU 55 Cb 0.27 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 40.79 3n4z h LEU 55 CO -0.01 0.80 0.00 0.28 -0.00 0.00 0.00 178.44 179.51 3n4z h SER 56 N 0.41 0.00 -1.02 -0.43 0.02 -0.60 -3.47 113.55 108.47 3n4z h SER 56 Ca 0.05 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.84 3n4z h SER 56 Cb 0.78 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.30 3n4z h SER 56 CO 0.06 0.00 -0.19 0.61 -1.14 0.00 0.00 176.83 176.17 3n4z n GLY 57 N 0.74 0.18 3.62 -3.77 0.00 0.21 -4.96 105.19 101.21 3n4z n GLY 57 Ca 0.03 -0.57 -0.37 0.00 0.00 0.00 0.00 46.02 45.11 3n4z n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3n4z s ILE 58 N -2.38 5.16 0.30 -0.61 1.01 0.68 -5.01 121.20 120.34 3n4z s ILE 58 Ca 0.00 0.11 -0.29 0.00 0.00 0.00 0.00 60.65 60.47 3n4z s ILE 58 Cb 0.00 -3.41 -0.11 0.00 0.01 0.00 0.00 42.46 38.95 3n4z s ILE 58 CO 0.00 0.34 1.47 -2.84 0.00 0.00 0.00 174.94 173.91 3n4z s PRO 59 N 1.21 4.21 -0.10 2.79 0.02 -1.26 -4.42 135.00 137.44 3n4z s PRO 59 Ca 0.07 2.42 0.01 0.00 0.02 0.00 0.00 61.00 63.51 3n4z s PRO 59 Cb -0.14 -3.05 -0.02 0.00 0.02 0.00 0.00 34.50 31.31 3n4z s PRO 59 CO 0.05 -0.46 -0.12 0.08 -0.33 0.00 0.00 177.00 176.22 3n4z s VAL 60 N -0.41 3.16 -0.13 3.83 1.01 -1.26 -1.30 120.40 125.30 3n4z s VAL 60 Ca 0.57 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.93 3n4z s VAL 60 Cb -0.44 -2.30 0.00 0.00 0.00 0.00 0.00 36.38 33.64 3n4z s VAL 60 CO 0.50 0.55 -0.20 -0.47 0.00 0.00 0.00 175.10 175.47 3n4z s TYR 61 N -0.06 2.67 -0.49 5.22 5.04 0.13 -4.83 117.35 125.04 3n4z s TYR 61 Ca -0.02 -1.08 -0.19 0.00 -2.44 0.00 0.00 57.07 53.33 3n4z s TYR 61 Cb -0.14 -1.79 0.05 0.00 0.35 0.00 0.00 41.96 40.43 3n4z s TYR 61 CO 0.04 -0.46 0.62 -2.00 -1.34 0.00 0.00 175.55 172.41 3n4z s GLU 62 N 0.57 3.16 0.11 4.97 2.12 -1.26 -1.56 118.70 126.81 3n4z s GLU 62 Ca -0.12 -0.75 -0.31 0.00 0.36 0.00 0.00 54.97 54.16 3n4z s GLU 62 Cb -0.16 -4.05 -0.10 0.00 0.26 0.00 0.00 34.13 30.08 3n4z s GLU 62 CO 0.04 -1.15 1.71 0.12 -0.54 0.00 0.00 175.26 175.43 3n4z s PHE 63 N 2.68 2.45 0.42 5.30 5.36 -0.14 -4.89 117.98 129.16 3n4z s PHE 63 Ca 0.17 0.24 0.40 0.00 -0.96 0.00 0.00 56.93 56.78 3n4z s PHE 63 Cb -0.18 -4.05 1.96 0.00 -0.34 0.00 0.00 43.02 40.42 3n4z s PHE 63 CO 0.14 -4.18 2.20 1.05 -1.46 0.00 0.00 175.22 172.97 3n4z h GLU 64 N 8.10 0.00 0.00 10.12 4.11 -1.96 -2.55 114.58 132.40 3n4z h GLU 64 Ca -0.44 0.00 -0.42 0.00 0.07 0.00 0.00 59.36 58.57 3n4z h GLU 64 Cb 1.21 0.00 0.12 0.00 0.50 0.00 0.00 28.75 30.57 3n4z h GLU 64 CO 0.94 0.00 0.23 0.41 0.07 0.00 0.00 179.01 180.66 3n4z n GLY 65 N -0.59 -0.27 3.52 1.06 0.00 -1.26 -4.65 105.19 103.00 3n4z n GLY 65 Ca -0.01 -1.89 -0.23 0.00 0.00 0.00 0.00 46.02 43.88 3n4z n GLY 65 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3n4z n THR 66 N -3.17 0.00 -0.09 2.61 -2.24 -1.26 -1.15 114.28 108.98 3n4z n THR 66 Ca 0.15 -1.19 -0.13 0.00 -2.27 0.00 0.00 64.05 60.61 3n4z n THR 66 Cb 0.54 -1.21 -0.05 0.00 -2.10 0.00 0.00 70.33 67.52 3n4z n THR 66 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3n4z h SER 67 N -1.00 0.71 -0.84 3.42 0.02 -1.90 -1.42 113.55 112.54 3n4z h SER 67 Ca -0.34 -0.47 0.16 0.00 -0.84 0.00 0.00 61.79 60.29 3n4z h SER 67 Cb 1.10 -0.20 -0.10 0.00 0.14 0.00 0.00 62.40 63.34 3n4z h SER 67 CO 0.30 1.04 0.40 0.58 -1.14 0.00 0.00 176.83 178.01 3n4z h VAL 68 N 0.40 0.67 -0.04 2.27 2.07 -1.86 -1.05 116.25 118.71 3n4z h VAL 68 Ca 0.04 -0.19 -0.23 0.00 0.82 0.00 0.00 66.70 67.14 3n4z h VAL 68 Cb 0.84 0.07 0.01 0.00 -1.52 0.00 0.00 31.29 30.70 3n4z h VAL 68 CO 0.07 0.10 -0.92 -0.33 0.02 0.00 0.00 177.57 176.51 3n4z h GLU 69 N 0.55 0.59 -0.69 1.57 5.08 -1.84 -2.01 114.58 117.83 3n4z h GLU 69 Ca 0.47 -0.58 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3n4z h GLU 69 Cb 0.71 0.15 -0.03 0.00 0.50 0.00 0.00 28.75 30.08 3n4z h GLU 69 CO -0.40 1.20 0.43 1.25 -1.00 0.00 0.00 179.01 180.49 3n4z h LEU 70 N 0.36 0.82 0.28 1.33 5.85 -0.84 -0.95 115.31 122.15 3n4z h LEU 70 Ca -0.09 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 3n4z h LEU 70 Cb 1.55 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.37 3n4z h LEU 70 CO 0.17 0.62 -0.18 1.23 -0.34 0.00 0.00 178.44 179.94 3n4z h GLY 71 N 0.94 -0.45 1.41 3.75 0.00 -1.11 -2.08 103.07 105.53 3n4z h GLY 71 Ca 0.25 0.20 0.02 0.00 0.00 0.00 0.00 47.33 47.79 3n4z h GLY 71 CO -0.05 -0.18 0.36 -0.91 0.00 0.00 0.00 176.54 175.76 3n4z h THR 72 N -0.44 1.10 -0.02 4.70 1.35 -1.21 0.23 112.91 118.62 3n4z h THR 72 Ca -0.03 -0.23 0.01 0.00 -0.55 0.00 0.00 66.41 65.61 3n4z h THR 72 Cb 0.37 0.36 -0.00 0.00 -1.73 0.00 0.00 68.15 67.15 3n4z h THR 72 CO 0.02 0.12 0.02 0.25 -0.25 0.00 0.00 175.52 175.69 3n4z h LEU 73 N 0.68 0.00 -2.64 3.87 5.85 -0.77 -1.10 115.31 121.20 3n4z h LEU 73 Ca 0.21 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.93 3n4z h LEU 73 Cb -0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 3n4z h LEU 73 CO -0.05 0.00 0.00 0.18 -0.34 0.00 0.00 178.44 178.23 3n4z n LEU 74 N -4.39 4.06 -1.50 2.25 4.77 0.71 -4.75 117.00 118.16 3n4z n LEU 74 Ca -0.02 -2.06 -0.13 0.00 -0.03 0.00 0.00 56.01 53.77 3n4z n LEU 74 Cb 0.11 -0.58 -0.00 0.00 -2.33 0.00 0.00 43.42 40.62 3n4z n LEU 74 CO 0.33 0.55 -0.14 0.61 -1.33 0.00 0.00 177.39 177.41 3n4z n GLY 75 N 0.61 -0.14 3.14 -0.72 0.00 -0.42 -5.01 105.19 102.66 3n4z n GLY 75 Ca 0.19 -0.34 -0.25 0.00 0.00 0.00 0.00 46.02 45.62 3n4z n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3n4z s LYS 76 N -4.70 1.54 0.00 1.61 1.02 -0.65 -5.00 119.74 113.55 3n4z s LYS 76 Ca 0.02 -0.60 0.18 0.00 0.02 0.00 0.00 55.97 55.59 3n4z s LYS 76 Cb -0.01 -1.41 0.77 0.00 -0.52 0.00 0.00 37.83 36.66 3n4z s LYS 76 CO 0.03 0.30 1.56 -2.30 -0.92 0.00 0.00 175.35 174.02 3n4z n PRO 77 N 2.90 0.03 -3.77 -1.68 -0.02 -1.26 -2.88 135.00 128.32 3n4z n PRO 77 Ca -0.16 0.19 -0.24 0.00 -2.02 0.00 0.00 63.50 61.26 3n4z n PRO 77 Cb 0.54 -1.50 -0.02 0.00 -0.02 0.00 0.00 33.50 32.50 3n4z n PRO 77 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 3n4z n HIS 78 N -1.48 -0.20 -2.99 6.00 1.44 -1.26 -4.96 115.22 111.77 3n4z n HIS 78 Ca 0.05 -2.08 -0.32 0.00 -2.01 0.00 0.00 57.72 53.36 3n4z n HIS 78 Cb 0.20 -0.36 -0.05 0.00 0.12 0.00 0.00 29.99 29.89 3n4z n HIS 78 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 3n4z s THR 79 N -2.45 4.66 -0.15 0.61 -4.23 -1.26 -4.14 115.64 108.68 3n4z s THR 79 Ca 0.19 0.96 -0.02 0.00 -1.18 0.00 0.00 61.69 61.64 3n4z s THR 79 Cb -0.02 -3.64 0.05 0.00 1.34 0.00 0.00 72.50 70.23 3n4z s THR 79 CO 0.12 -0.30 0.01 -0.69 -0.54 0.00 0.00 174.62 173.22 3n4z s VAL 80 N -2.13 0.58 -0.19 2.29 1.01 -1.01 -4.85 120.40 116.10 3n4z s VAL 80 Ca 0.55 -0.37 0.17 0.00 0.00 0.00 0.00 61.98 62.33 3n4z s VAL 80 Cb -0.10 -0.93 0.04 0.00 0.00 0.00 0.00 36.38 35.38 3n4z s VAL 80 CO 0.21 -0.01 1.26 0.77 0.00 0.00 0.00 175.10 177.32 3n4z h SER 81 N 8.25 0.00 -4.68 3.32 4.64 -1.93 -3.40 113.55 119.75 3n4z h SER 81 Ca -0.19 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.13 3n4z h SER 81 Cb 1.12 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.01 3n4z h SER 81 CO 0.33 0.40 0.32 0.00 -0.87 0.00 0.00 176.83 177.01 3n4z s ALA 82 N -3.03 -1.83 0.06 5.18 0.00 -1.26 -0.55 121.76 120.34 3n4z s ALA 82 Ca 0.02 1.40 -0.06 0.00 0.00 0.00 0.00 51.96 53.33 3n4z s ALA 82 Cb 0.08 -0.24 -0.01 0.00 0.00 0.00 0.00 23.12 22.94 3n4z s ALA 82 CO 0.76 -0.36 0.10 -0.48 0.00 0.00 0.00 175.76 175.78 3n4z s LEU 83 N -1.20 1.82 -0.11 0.00 0.05 -0.04 -0.21 118.68 118.99 3n4z s LEU 83 Ca -0.07 -0.69 0.01 0.00 0.05 0.00 0.00 54.13 53.43 3n4z s LEU 83 Cb -0.00 0.67 -0.02 0.00 -2.05 0.00 0.00 46.19 44.80 3n4z s LEU 83 CO 0.06 -0.61 -0.15 0.00 -0.55 0.00 0.00 176.35 175.11 3n4z s ALA 84 N -3.39 2.58 -0.57 1.48 0.00 0.13 -1.00 121.76 121.00 3n4z s ALA 84 Ca 0.02 -0.92 -0.19 0.00 0.00 0.00 0.00 51.96 50.87 3n4z s ALA 84 Cb 0.03 -1.11 0.09 0.00 0.00 0.00 0.00 23.12 22.13 3n4z s ALA 84 CO -0.08 0.32 0.70 0.08 0.00 0.00 0.00 175.76 176.77 3n4z s VAL 85 N 0.12 4.80 -0.04 0.00 1.01 0.14 -0.49 120.40 125.94 3n4z s VAL 85 Ca -0.07 -0.80 -0.17 0.00 0.00 0.00 0.00 61.98 60.95 3n4z s VAL 85 Cb -0.15 -4.44 -0.32 0.00 0.00 0.00 0.00 36.38 31.47 3n4z s VAL 85 CO 0.05 -1.05 0.80 0.58 0.00 0.00 0.00 175.10 175.48 3n4z h VAL 86 N 5.91 1.22 -3.35 2.92 2.07 -1.19 0.12 116.25 123.94 3n4z h VAL 86 Ca -0.29 -2.55 -0.39 0.00 0.82 0.00 0.00 66.70 64.30 3n4z h VAL 86 Cb 1.09 2.96 -0.37 0.00 -1.52 0.00 0.00 31.29 33.45 3n4z h VAL 86 CO 1.06 0.77 -0.75 -0.62 0.02 0.00 0.00 177.57 178.05 3n4z s ASP 87 N -7.23 1.08 0.57 0.57 2.15 -0.23 -4.25 116.67 109.33 3n4z s ASP 87 Ca -0.14 -0.02 0.35 0.00 0.43 0.00 0.00 52.55 53.17 3n4z s ASP 87 Cb 0.03 -0.29 1.66 0.00 -0.30 0.00 0.00 42.92 44.03 3n4z s ASP 87 CO 0.85 -0.17 2.10 -0.65 -0.17 0.00 0.00 175.17 177.13 3n4z h PRO 88 N 7.98 0.00 0.00 4.34 0.11 -1.87 0.18 132.00 142.75 3n4z h PRO 88 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3n4z h PRO 88 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3n4z h PRO 88 CO 0.30 0.04 0.00 0.41 -0.21 0.00 0.00 178.00 178.54 3n4z n GLY 89 N -0.42 2.54 1.10 -0.55 0.00 -1.26 -2.27 105.19 104.34 3n4z n GLY 89 Ca -0.01 -0.37 -0.02 0.00 0.00 0.00 0.00 46.02 45.62 3n4z n GLY 89 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3n4z n GLU 90 N 12.52 1.85 -3.81 1.61 1.02 -1.26 -4.91 120.64 127.66 3n4z n GLU 90 Ca 0.00 -0.93 -0.23 0.00 -0.02 0.00 0.00 57.16 55.98 3n4z n GLU 90 Cb 0.00 -1.58 -0.04 0.00 -0.02 0.00 0.00 31.44 29.80 3n4z n GLU 90 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3n4z s SER 91 N -0.01 4.76 -0.17 1.62 1.04 -0.96 -4.99 113.70 114.99 3n4z s SER 91 Ca 0.17 -0.95 0.17 0.00 0.48 0.00 0.00 55.95 55.81 3n4z s SER 91 Cb 0.13 -0.36 0.46 0.00 0.10 0.00 0.00 66.02 66.36 3n4z s SER 91 CO 0.04 -0.70 1.35 0.54 0.98 0.00 0.00 173.24 175.45 3n4z n ARG 92 N -1.48 2.39 0.31 4.02 1.74 -1.26 -4.70 116.66 117.67 3n4z n ARG 92 Ca 0.01 -2.80 0.21 0.00 -0.77 0.00 0.00 57.85 54.50 3n4z n ARG 92 Cb 0.63 -1.75 1.04 0.00 -1.02 0.00 0.00 32.46 31.36 3n4z n ARG 92 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3n4z h ILE 93 N 1.24 0.00 0.00 0.55 2.10 -1.90 -1.71 117.51 117.79 3n4z h ILE 93 Ca 0.01 -0.15 0.00 0.00 1.08 0.00 0.00 64.86 65.81 3n4z h ILE 93 Cb 1.33 1.12 0.00 0.00 -1.09 0.00 0.00 36.82 38.18 3n4z h ILE 93 CO 0.17 0.00 0.00 0.18 -1.08 0.00 0.00 178.15 177.42 3n4z n LEU 94 N -3.03 0.30 -0.26 2.19 4.77 -1.26 -2.85 117.00 116.86 3n4z n LEU 94 Ca -0.02 0.57 -0.07 0.00 -0.03 0.00 0.00 56.01 56.47 3n4z n LEU 94 Cb 0.14 -0.54 0.06 0.00 -2.33 0.00 0.00 43.42 40.75 3n4z n LEU 94 CO 0.22 -0.39 0.96 0.00 -1.33 0.00 0.00 177.39 176.84 3n4z h ALA 95 N 2.39 0.97 -1.86 -1.18 0.00 -1.70 -3.44 119.26 114.44 3n4z h ALA 95 Ca 0.00 -0.24 -0.54 0.00 0.00 0.00 0.00 54.91 54.13 3n4z h ALA 95 Cb 0.30 -0.28 0.19 0.00 0.00 0.00 0.00 17.79 18.01 3n4z h ALA 95 CO 0.00 0.67 -1.40 1.28 0.00 0.00 0.00 179.25 179.80 3n4z n LEU 96 N -4.24 -4.50 0.00 0.00 4.77 -1.13 -5.13 117.00 106.77 3n4z n LEU 96 Ca 0.06 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 3n4z n LEU 96 Cb 0.25 -0.75 0.00 0.00 -2.33 0.00 0.00 43.42 40.59 3n4z n LEU 96 CO 0.42 -5.03 0.00 0.61 -1.33 0.00 0.00 177.39 172.06