#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d4z s ASP 3 N 0.00 6.35 0.54 0.00 -1.08 -1.26 -4.88 116.67 116.34 1d4z s ASP 3 Ca 0.00 2.29 0.35 0.00 -0.52 0.00 0.00 52.55 54.67 1d4z s ASP 3 Cb 0.00 -2.53 1.68 0.00 -1.46 0.00 0.00 42.92 40.62 1d4z s ASP 3 CO 0.00 -1.18 2.06 0.11 0.52 0.00 0.00 175.17 176.68 1d4z h LYS 4 N 10.99 0.00 -0.63 4.34 1.79 -2.00 -2.10 116.57 128.96 1d4z h LYS 4 Ca -0.43 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.04 1d4z h LYS 4 Cb 1.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 1d4z h LYS 4 CO 0.96 0.00 0.00 0.39 -1.08 0.00 0.00 179.45 179.72 1d4z n GLU 5 N -2.92 3.24 -1.67 3.15 -0.58 -1.26 -4.25 120.64 116.35 1d4z n GLU 5 Ca -0.01 -2.31 -0.46 0.00 -0.42 0.00 0.00 57.16 53.96 1d4z n GLU 5 Cb 0.19 -1.79 -0.04 0.00 -0.57 0.00 0.00 31.44 29.23 1d4z n GLU 5 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1d4z n LEU 6 N 0.86 3.17 -4.63 -4.62 7.94 -0.79 -4.82 117.00 114.11 1d4z n LEU 6 Ca 0.21 1.08 -0.43 0.00 -1.11 0.00 0.00 56.01 55.76 1d4z n LEU 6 Cb 0.75 -1.43 -0.03 0.00 0.53 0.00 0.00 43.42 43.24 1d4z n LEU 6 CO 0.20 -0.25 0.89 -0.75 -1.11 0.00 0.00 177.39 176.37 1d4z s LYS 7 N 1.10 4.03 0.03 1.96 2.20 -1.26 -4.54 119.74 123.26 1d4z s LYS 7 Ca 0.79 0.96 -0.03 0.00 -0.36 0.00 0.00 55.97 57.33 1d4z s LYS 7 Cb -0.67 -3.74 -0.04 0.00 -1.51 0.00 0.00 37.83 31.87 1d4z s LYS 7 CO 0.38 -0.88 0.23 -0.06 -0.36 0.00 0.00 175.35 174.66 1d4z s PHE 8 N 3.55 3.54 -0.17 4.03 0.40 0.33 0.11 117.98 129.77 1d4z s PHE 8 Ca 0.43 0.39 0.01 0.00 -0.60 0.00 0.00 56.93 57.16 1d4z s PHE 8 Cb -0.12 -1.86 0.02 0.00 0.51 0.00 0.00 43.02 41.57 1d4z s PHE 8 CO 0.15 0.60 -0.19 -1.17 0.70 0.00 0.00 175.22 175.32 1d4z s LEU 9 N -2.13 2.01 -0.29 -0.37 2.96 -0.31 -1.03 118.68 119.53 1d4z s LEU 9 Ca 0.31 -0.60 -0.10 0.00 -0.22 0.00 0.00 54.13 53.51 1d4z s LEU 9 Cb -0.13 -1.40 -0.03 0.00 0.50 0.00 0.00 46.19 45.14 1d4z s LEU 9 CO 0.21 -0.01 0.16 -0.69 -1.32 0.00 0.00 176.35 174.70 1d4z s VAL 10 N 1.32 4.85 -0.19 1.68 1.01 -0.01 -1.13 120.40 127.94 1d4z s VAL 10 Ca 0.04 -0.15 -0.02 0.00 0.00 0.00 0.00 61.98 61.86 1d4z s VAL 10 Cb -0.13 -3.38 -0.00 0.00 0.00 0.00 0.00 36.38 32.87 1d4z s VAL 10 CO -0.12 0.18 -0.10 -0.69 0.00 0.00 0.00 175.10 174.37 1d4z s VAL 11 N 1.68 3.02 -0.14 2.92 1.01 0.10 -1.57 120.40 127.42 1d4z s VAL 11 Ca 0.06 -0.63 -0.30 0.00 0.00 0.00 0.00 61.98 61.10 1d4z s VAL 11 Cb -0.16 -2.33 0.13 0.00 0.00 0.00 0.00 36.38 34.02 1d4z s VAL 11 CO 0.08 0.48 1.04 -0.62 0.00 0.00 0.00 175.10 176.07 1d4z s ASP 12 N 1.11 -0.30 0.00 3.32 2.15 -0.87 -1.54 116.67 120.54 1d4z s ASP 12 Ca 0.01 0.22 0.12 0.00 0.43 0.00 0.00 52.55 53.32 1d4z s ASP 12 Cb -0.14 0.27 0.41 0.00 -0.30 0.00 0.00 42.92 43.15 1d4z s ASP 12 CO -0.03 -0.36 1.31 -0.90 -0.17 0.00 0.00 175.17 175.03 1d4z n ASP 13 N 0.37 1.47 -4.09 -0.34 5.75 -1.20 -4.16 116.55 114.35 1d4z n ASP 13 Ca -0.07 -1.90 -0.32 0.00 -0.01 0.00 0.00 54.79 52.48 1d4z n ASP 13 Cb 0.59 -0.16 -0.16 0.00 -1.03 0.00 0.00 41.12 40.36 1d4z n ASP 13 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 1d4z s PHE 14 N -1.68 2.90 0.33 2.11 0.40 -1.26 -5.01 117.98 115.77 1d4z s PHE 14 Ca 0.22 -1.85 0.01 0.00 -0.60 0.00 0.00 56.93 54.71 1d4z s PHE 14 Cb 0.12 -1.90 0.58 0.00 0.51 0.00 0.00 43.02 42.33 1d4z s PHE 14 CO 0.16 -0.82 1.97 0.66 0.70 0.00 0.00 175.22 177.89 1d4z h SER 15 N 7.89 0.81 -0.56 1.36 4.64 -1.99 -1.83 113.55 123.87 1d4z h SER 15 Ca -0.36 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 60.93 1d4z h SER 15 Cb 1.10 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 62.98 1d4z h SER 15 CO 0.57 0.57 0.29 0.74 -0.87 0.00 0.00 176.83 178.13 1d4z h THR 16 N 0.95 1.19 -0.24 2.95 2.02 -1.98 0.55 112.91 118.34 1d4z h THR 16 Ca 0.29 -0.52 -0.11 0.00 0.77 0.00 0.00 66.41 66.85 1d4z h THR 16 Cb 0.01 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 1d4z h THR 16 CO -0.08 0.21 -0.31 -0.03 0.37 0.00 0.00 175.52 175.69 1d4z h MET 17 N 0.75 0.50 -0.78 6.66 -1.53 -1.88 -1.22 114.93 117.44 1d4z h MET 17 Ca 0.19 -0.21 -0.05 0.00 -3.44 0.00 0.00 59.70 56.20 1d4z h MET 17 Cb 0.08 -0.02 -0.03 0.00 -0.55 0.00 0.00 31.60 31.07 1d4z h MET 17 CO -0.03 0.75 0.31 0.00 0.14 0.00 0.00 176.91 178.08 1d4z h ARG 18 N 0.43 1.17 -0.83 0.39 3.08 -0.72 -1.89 114.38 116.02 1d4z h ARG 18 Ca 0.05 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 59.86 1d4z h ARG 18 Cb 0.75 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 30.58 1d4z h ARG 18 CO 0.06 0.96 0.41 -0.09 -1.07 0.00 0.00 179.97 180.24 1d4z h ARG 19 N 1.14 1.18 0.07 0.04 9.65 -0.38 0.28 114.38 126.35 1d4z h ARG 19 Ca 0.26 -0.16 -0.00 0.00 -1.10 0.00 0.00 59.98 58.98 1d4z h ARG 19 Cb 0.22 -0.22 0.00 0.00 -1.39 0.00 0.00 29.97 28.59 1d4z h ARG 19 CO -0.02 0.89 -0.03 0.82 2.80 0.00 0.00 179.97 184.43 1d4z h ILE 20 N 1.17 1.01 -0.48 1.20 2.04 -0.84 0.26 117.51 121.87 1d4z h ILE 20 Ca 0.29 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.90 1d4z h ILE 20 Cb 0.09 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 1d4z h ILE 20 CO -0.04 0.06 0.28 0.58 0.00 0.00 0.00 178.15 179.03 1d4z h VAL 21 N -0.19 1.16 -0.60 1.67 2.07 -1.10 0.80 116.25 120.06 1d4z h VAL 21 Ca -0.01 -0.39 0.02 0.00 0.82 0.00 0.00 66.70 67.14 1d4z h VAL 21 Cb 0.16 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 1d4z h VAL 21 CO 0.01 0.17 0.38 -0.09 0.02 0.00 0.00 177.57 178.06 1d4z h ARG 22 N 0.64 0.73 -0.61 1.57 2.43 -0.81 0.32 114.38 118.64 1d4z h ARG 22 Ca 0.17 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.21 1d4z h ARG 22 Cb 0.02 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.39 1d4z h ARG 22 CO -0.03 0.48 0.04 -0.97 -1.51 0.00 0.00 179.97 177.98 1d4z h ASN 23 N 0.75 1.02 -0.62 -3.80 -0.73 -0.36 -1.00 115.58 110.84 1d4z h ASN 23 Ca 0.24 -0.29 -0.04 0.00 1.87 0.00 0.00 56.30 58.08 1d4z h ASN 23 Cb -0.01 -0.27 -0.03 0.00 0.27 0.00 0.00 38.32 38.28 1d4z h ASN 23 CO -0.09 1.05 0.24 -0.07 -0.37 0.00 0.00 177.43 178.20 1d4z h LEU 24 N 0.95 0.85 -0.83 0.34 3.38 -0.39 -1.79 115.31 117.82 1d4z h LEU 24 Ca 0.18 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1d4z h LEU 24 Cb 0.50 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 1d4z h LEU 24 CO 0.02 0.79 0.51 -0.07 0.09 0.00 0.00 178.44 179.79 1d4z h LEU 25 N 0.86 0.99 -0.37 1.67 3.38 -0.65 -2.57 115.31 118.62 1d4z h LEU 25 Ca 0.21 -0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.16 1d4z h LEU 25 Cb 0.21 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 1d4z h LEU 25 CO -0.02 0.75 0.13 0.50 0.09 0.00 0.00 178.44 179.89 1d4z h LYS 26 N 1.14 0.27 -0.10 1.13 3.64 -0.75 0.29 116.57 122.18 1d4z h LYS 26 Ca 0.30 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.69 1d4z h LYS 26 Cb -0.07 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.69 1d4z h LYS 26 CO -0.06 0.18 0.07 1.49 -2.27 0.00 0.00 179.45 178.86 1d4z h GLU 27 N 0.28 0.02 -0.00 1.90 4.81 -0.96 -0.67 114.58 119.95 1d4z h GLU 27 Ca 0.17 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1d4z h GLU 27 Cb 0.14 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.52 1d4z h GLU 27 CO -0.17 0.01 -0.25 1.28 -0.73 0.00 0.00 179.01 179.15 1d4z n LEU 28 N -4.51 0.66 0.00 1.64 4.77 -0.61 -4.93 117.00 114.02 1d4z n LEU 28 Ca -0.01 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1d4z n LEU 28 Cb 0.17 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1d4z n LEU 28 CO 0.34 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 1d4z n GLY 29 N 1.37 0.90 3.24 -0.72 0.00 -0.26 -5.06 105.19 104.66 1d4z n GLY 29 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1d4z n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1d4z s PHE 30 N -2.00 3.40 -0.84 1.61 0.08 -0.01 -4.79 117.98 115.42 1d4z s PHE 30 Ca 0.00 -1.76 0.19 0.00 0.12 0.00 0.00 56.93 55.48 1d4z s PHE 30 Cb 0.00 -3.58 -0.21 0.00 -0.57 0.00 0.00 43.02 38.66 1d4z s PHE 30 CO 0.00 -1.00 0.78 0.09 -0.10 0.00 0.00 175.22 174.99 1d4z n ASN 31 N 4.92 0.87 -4.47 1.36 3.02 -1.26 -3.10 115.26 116.60 1d4z n ASN 31 Ca -0.08 -0.89 -0.44 0.00 -0.03 0.00 0.00 54.58 53.14 1d4z n ASN 31 Cb 0.41 1.05 -0.01 0.00 -0.61 0.00 0.00 39.78 40.62 1d4z n ASN 31 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1d4z s ASN 32 N -2.87 6.89 -0.02 6.41 2.47 -1.26 -4.95 114.94 121.61 1d4z s ASN 32 Ca 0.06 -2.59 0.05 0.00 0.42 0.00 0.00 52.86 50.81 1d4z s ASN 32 Cb 0.14 -2.41 -0.01 0.00 -1.45 0.00 0.00 41.25 37.52 1d4z s ASN 32 CO 0.78 -0.90 -0.17 -0.69 -3.72 0.00 0.00 177.10 172.40 1d4z s VAL 33 N 2.20 1.33 0.27 -5.21 1.01 -1.26 -0.51 120.40 118.23 1d4z s VAL 33 Ca 0.40 -0.71 0.05 0.00 0.00 0.00 0.00 61.98 61.72 1d4z s VAL 33 Cb -0.03 -1.12 -0.06 0.00 0.00 0.00 0.00 36.38 35.17 1d4z s VAL 33 CO -0.03 0.38 -0.01 -1.61 0.00 0.00 0.00 175.10 173.83 1d4z s GLU 34 N -0.29 1.47 0.17 2.72 0.41 -0.20 -4.96 118.70 118.03 1d4z s GLU 34 Ca 0.04 -1.76 0.07 0.00 -0.41 0.00 0.00 54.97 52.91 1d4z s GLU 34 Cb -0.08 -0.86 -0.04 0.00 -1.78 0.00 0.00 34.13 31.37 1d4z s GLU 34 CO -0.00 -0.07 -0.15 -1.21 -0.49 0.00 0.00 175.26 173.35 1d4z s GLU 35 N -3.82 1.22 0.02 1.61 2.02 -1.26 -0.83 118.70 117.66 1d4z s GLU 35 Ca 0.30 -1.46 -0.05 0.00 0.02 0.00 0.00 54.97 53.79 1d4z s GLU 35 Cb 0.06 -1.06 -0.01 0.00 0.10 0.00 0.00 34.13 33.21 1d4z s GLU 35 CO 0.11 0.19 0.08 0.00 0.02 0.00 0.00 175.26 175.66 1d4z s ALA 36 N -2.63 -0.10 -0.97 5.21 0.00 -0.61 -4.90 121.76 117.76 1d4z s ALA 36 Ca 0.17 -0.44 0.22 0.00 0.00 0.00 0.00 51.96 51.92 1d4z s ALA 36 Cb -0.02 0.19 0.03 0.00 0.00 0.00 0.00 23.12 23.31 1d4z s ALA 36 CO 0.05 -0.26 1.07 -0.85 0.00 0.00 0.00 175.76 175.78 1d4z n GLU 37 N 1.12 0.02 -3.88 0.00 0.28 -1.26 -2.05 120.64 114.87 1d4z n GLU 37 Ca -0.21 -0.00 -0.03 0.00 -0.16 0.00 0.00 57.16 56.76 1d4z n GLU 37 Cb 0.57 -1.50 0.02 0.00 1.43 0.00 0.00 31.44 31.95 1d4z n GLU 37 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 177.13 177.13 1d4z s ASP 38 N -3.05 -0.00 0.24 -1.84 1.47 -1.26 -3.25 116.67 108.98 1d4z s ASP 38 Ca 0.09 -0.64 -0.06 0.00 1.18 0.00 0.00 52.55 53.11 1d4z s ASP 38 Cb 0.16 0.48 0.29 0.00 -0.34 0.00 0.00 42.92 43.51 1d4z s ASP 38 CO 0.81 -0.95 1.87 1.23 0.68 0.00 0.00 175.17 178.81 1d4z h GLY 39 N 2.00 1.27 0.85 2.12 0.00 -1.47 -1.00 103.07 106.84 1d4z h GLY 39 Ca -0.27 -0.41 -0.08 0.00 0.00 0.00 0.00 47.33 46.57 1d4z h GLY 39 CO 0.35 0.33 -0.15 -2.08 0.00 0.00 0.00 176.54 174.99 1d4z h VAL 40 N 1.04 1.31 -0.97 4.60 2.07 -1.89 -1.21 116.25 121.20 1d4z h VAL 40 Ca 0.35 -1.27 0.00 0.00 0.82 0.00 0.00 66.70 66.61 1d4z h VAL 40 Cb 0.06 1.63 -0.05 0.00 -1.52 0.00 0.00 31.29 31.41 1d4z h VAL 40 CO -0.14 0.39 0.62 -0.78 0.02 0.00 0.00 177.57 177.69 1d4z h ASP 41 N 0.23 1.13 -0.29 0.57 3.58 -1.93 -2.09 116.42 117.62 1d4z h ASP 41 Ca 0.05 -0.04 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 1d4z h ASP 41 Cb 0.68 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.43 1d4z h ASP 41 CO 0.04 0.84 0.16 0.00 -2.88 0.00 0.00 179.24 177.40 1d4z h ALA 42 N 1.34 0.37 -0.99 -0.78 0.00 -1.00 -2.30 119.26 115.89 1d4z h ALA 42 Ca 0.35 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.24 1d4z h ALA 42 Cb -0.12 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.50 1d4z h ALA 42 CO -0.07 -0.12 0.65 -0.07 0.00 0.00 0.00 179.25 179.64 1d4z h LEU 43 N 0.35 1.08 -0.37 0.00 3.38 -0.72 -1.00 115.31 118.04 1d4z h LEU 43 Ca 0.10 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1d4z h LEU 43 Cb 0.04 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1d4z h LEU 43 CO -0.02 0.74 0.17 0.78 0.09 0.00 0.00 178.44 180.20 1d4z h ASN 44 N 1.25 0.49 -0.86 -0.43 2.35 -1.05 -1.34 115.58 116.00 1d4z h ASN 44 Ca 0.40 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 1d4z h ASN 44 Cb 0.01 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.21 1d4z h ASN 44 CO -0.12 0.50 0.55 0.11 -1.65 0.00 0.00 177.43 176.81 1d4z h LYS 45 N 0.46 1.15 0.00 0.81 1.79 -0.92 -1.88 116.57 117.98 1d4z h LYS 45 Ca 0.13 -0.09 -0.08 0.00 -2.18 0.00 0.00 60.65 58.43 1d4z h LYS 45 Cb 0.14 -0.25 -0.01 0.00 -1.58 0.00 0.00 32.23 30.53 1d4z h LYS 45 CO -0.01 0.78 -0.36 -0.07 -1.08 0.00 0.00 179.45 178.71 1d4z h LEU 46 N 1.17 0.00 -1.25 2.94 3.38 -0.99 -2.41 115.31 118.16 1d4z h LEU 46 Ca 0.31 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.29 1d4z h LEU 46 Cb -0.10 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 1d4z h LEU 46 CO -0.06 0.36 0.51 1.56 0.09 0.00 0.00 178.44 180.90 1d4z h GLN 47 N 0.00 1.01 -0.37 1.13 1.08 -0.39 -1.45 115.11 116.12 1d4z h GLN 47 Ca -0.00 -0.06 0.05 0.00 -1.45 0.00 0.00 58.65 57.19 1d4z h GLN 47 Cb 0.64 -0.23 -0.02 0.00 -0.05 0.00 0.00 27.48 27.82 1d4z h GLN 47 CO 0.05 0.67 0.25 0.00 -0.95 0.00 0.00 178.83 178.85 1d4z h ALA 48 N 1.52 2.01 0.00 3.87 0.00 -1.31 -3.48 119.26 121.87 1d4z h ALA 48 Ca 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1d4z h ALA 48 Cb -0.12 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1d4z h ALA 48 CO -0.06 -0.08 0.00 0.41 0.00 0.00 0.00 179.25 179.52 1d4z n GLY 49 N -1.53 0.86 2.97 0.00 0.00 -0.55 -5.02 105.19 101.91 1d4z n GLY 49 Ca 0.04 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.11 1d4z n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d4z n GLY 50 N 1.30 1.02 3.80 -0.02 0.00 -1.26 -4.97 105.19 105.06 1d4z n GLY 50 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1d4z n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1d4z s TYR 51 N -3.97 3.35 0.00 1.61 2.02 -1.26 -4.53 117.35 114.58 1d4z s TYR 51 Ca 0.00 1.66 0.00 0.00 -0.37 0.00 0.00 57.07 58.36 1d4z s TYR 51 Cb 0.00 -2.96 0.00 0.00 -0.40 0.00 0.00 41.96 38.60 1d4z s TYR 51 CO 0.00 -0.24 0.05 0.41 -1.57 0.00 0.00 175.55 174.20 1d4z n GLY 52 N -0.07 0.73 3.61 0.71 0.00 0.12 -4.91 105.19 105.38 1d4z n GLY 52 Ca 0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 1d4z n GLY 52 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1d4z s PHE 53 N -0.68 -0.84 -0.08 1.61 2.19 -1.00 -4.36 117.98 114.81 1d4z s PHE 53 Ca 0.00 1.94 0.04 0.00 0.33 0.00 0.00 56.93 59.24 1d4z s PHE 53 Cb 0.00 0.36 -0.01 0.00 -1.31 0.00 0.00 43.02 42.06 1d4z s PHE 53 CO 0.00 -0.41 -0.23 0.08 1.83 0.00 0.00 175.22 176.49 1d4z s VAL 54 N 0.70 2.22 -0.18 3.12 1.01 -0.14 -1.16 120.40 125.97 1d4z s VAL 54 Ca -0.03 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 60.98 1d4z s VAL 54 Cb -0.05 -1.84 0.03 0.00 0.00 0.00 0.00 36.38 34.52 1d4z s VAL 54 CO -0.04 0.56 -0.15 -0.63 0.00 0.00 0.00 175.10 174.83 1d4z s ILE 55 N 0.07 1.82 0.03 2.22 1.01 -0.28 -0.39 121.20 125.68 1d4z s ILE 55 Ca -0.10 -0.90 0.01 0.00 0.00 0.00 0.00 60.65 59.67 1d4z s ILE 55 Cb -0.16 -1.73 -0.02 0.00 0.01 0.00 0.00 42.46 40.56 1d4z s ILE 55 CO 0.06 0.40 -0.06 -0.94 0.00 0.00 0.00 174.94 174.40 1d4z s SER 56 N 1.36 0.63 0.56 3.58 1.04 -0.75 0.03 113.70 120.15 1d4z s SER 56 Ca 0.03 -0.51 -0.14 0.00 0.48 0.00 0.00 55.95 55.80 1d4z s SER 56 Cb -0.14 0.05 -0.06 0.00 0.10 0.00 0.00 66.02 65.97 1d4z s SER 56 CO -0.11 -0.23 1.01 -0.62 0.98 0.00 0.00 173.24 174.27 1d4z s ASP 57 N -1.47 6.41 0.10 7.02 2.15 -0.59 -0.59 116.67 129.69 1d4z s ASP 57 Ca -0.12 1.54 -0.08 0.00 0.43 0.00 0.00 52.55 54.32 1d4z s ASP 57 Cb -0.10 -2.50 -0.17 0.00 -0.30 0.00 0.00 42.92 39.86 1d4z s ASP 57 CO -0.00 -0.74 1.24 -0.25 -0.17 0.00 0.00 175.17 175.25 1d4z h TRP 58 N 0.43 0.76 -3.45 -5.34 2.91 -1.47 -3.11 115.95 106.67 1d4z h TRP 58 Ca -0.46 -0.43 -0.72 0.00 1.13 0.00 0.00 58.89 58.41 1d4z h TRP 58 Cb 1.19 -0.08 -0.25 0.00 -0.51 0.00 0.00 29.16 29.51 1d4z h TRP 58 CO 0.64 1.27 -0.44 1.21 -1.03 0.00 0.00 178.44 180.08 1d4z s ASN 59 N -7.18 5.80 0.03 2.65 2.47 -1.26 -1.56 114.94 115.88 1d4z s ASN 59 Ca -0.07 -1.30 -0.11 0.00 0.42 0.00 0.00 52.86 51.79 1d4z s ASN 59 Cb 0.08 -2.05 0.01 0.00 -1.45 0.00 0.00 41.25 37.84 1d4z s ASN 59 CO 0.89 -0.52 0.24 -0.04 -3.72 0.00 0.00 177.10 173.95 1d4z s MET 60 N 1.52 0.70 0.69 0.43 -1.94 -1.26 -4.75 119.30 114.69 1d4z s MET 60 Ca 0.03 -0.48 -0.11 0.00 -1.71 0.00 0.00 55.69 53.41 1d4z s MET 60 Cb -0.22 0.30 0.00 0.00 2.01 0.00 0.00 34.83 36.92 1d4z s MET 60 CO 0.05 -0.20 1.07 -1.25 -0.01 0.00 0.00 175.02 174.68 1d4z s PRO 61 N -2.19 3.02 0.00 2.03 0.04 -1.26 -3.74 135.00 132.90 1d4z s PRO 61 Ca -0.08 0.60 0.00 0.00 0.04 0.00 0.00 61.00 61.56 1d4z s PRO 61 Cb -0.03 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.49 1d4z s PRO 61 CO -0.02 -0.95 0.00 0.09 0.04 0.00 0.00 177.00 176.16 1d4z n ASN 62 N -2.98 0.00 -3.65 6.66 3.02 -1.26 -4.36 115.26 112.69 1d4z n ASN 62 Ca 0.07 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.39 1d4z n ASN 62 Cb 0.56 0.00 -0.18 0.00 -0.61 0.00 0.00 39.78 39.55 1d4z n ASN 62 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1d4z s MET 63 N 0.00 -0.01 0.60 3.52 1.75 -1.26 -4.96 119.30 118.94 1d4z s MET 63 Ca 0.00 0.21 -0.09 0.00 -1.25 0.00 0.00 55.69 54.55 1d4z s MET 63 Cb 0.00 -0.99 0.14 0.00 2.84 0.00 0.00 34.83 36.81 1d4z s MET 63 CO 0.00 -0.45 0.82 -0.40 -0.65 0.00 0.00 175.02 174.34 1d4z n ASP 64 N 5.29 0.18 -0.29 1.11 5.68 -1.25 -1.51 116.55 125.76 1d4z n ASP 64 Ca -0.05 -1.37 -0.02 0.00 -0.50 0.00 0.00 54.79 52.86 1d4z n ASP 64 Cb 0.50 -0.62 0.10 0.00 -1.14 0.00 0.00 41.12 39.96 1d4z n ASP 64 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1d4z h GLY 65 N -1.02 1.18 1.01 6.12 0.00 -1.21 -1.57 103.07 107.59 1d4z h GLY 65 Ca -0.27 -0.39 -0.06 0.00 0.00 0.00 0.00 47.33 46.61 1d4z h GLY 65 CO 0.20 0.33 0.14 -2.00 0.00 0.00 0.00 176.54 175.22 1d4z h LEU 66 N 1.01 0.89 -0.58 3.11 5.85 -1.86 -0.61 115.31 123.12 1d4z h LEU 66 Ca 0.33 -0.23 -0.14 0.00 0.84 0.00 0.00 57.88 58.68 1d4z h LEU 66 Cb 0.02 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 1d4z h LEU 66 CO -0.12 0.89 -0.35 -0.33 -0.34 0.00 0.00 178.44 178.20 1d4z h GLU 67 N 0.85 0.75 -0.15 1.25 4.39 -1.88 -0.06 114.58 119.73 1d4z h GLU 67 Ca 0.18 -0.36 -0.01 0.00 0.34 0.00 0.00 59.36 59.51 1d4z h GLU 67 Cb 0.35 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 1d4z h GLU 67 CO 0.00 0.98 0.06 1.25 -1.16 0.00 0.00 179.01 180.14 1d4z h LEU 68 N 0.63 0.21 -0.37 1.33 5.85 -1.09 -1.58 115.31 120.29 1d4z h LEU 68 Ca 0.06 -0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.64 1d4z h LEU 68 Cb 0.88 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.83 1d4z h LEU 68 CO 0.08 0.33 0.18 0.25 -0.34 0.00 0.00 178.44 178.94 1d4z h LEU 69 N 0.08 0.27 -0.77 2.25 5.85 -0.96 -1.17 115.31 120.86 1d4z h LEU 69 Ca 0.05 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.80 1d4z h LEU 69 Cb 0.19 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 1d4z h LEU 69 CO -0.00 0.20 0.51 0.11 -0.34 0.00 0.00 178.44 178.91 1d4z h LYS 70 N 0.38 1.02 -0.38 1.25 1.57 -0.86 -0.83 116.57 118.72 1d4z h LYS 70 Ca 0.16 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.79 1d4z h LYS 70 Cb 0.07 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 1d4z h LYS 70 CO -0.11 0.68 -0.08 1.15 -0.57 0.00 0.00 179.45 180.51 1d4z h THR 71 N 1.04 1.28 -0.72 -0.16 2.02 -0.97 -1.09 112.91 114.31 1d4z h THR 71 Ca 0.28 -1.16 0.03 0.00 0.77 0.00 0.00 66.41 66.34 1d4z h THR 71 Cb -0.12 1.25 -0.05 0.00 -1.74 0.00 0.00 68.15 67.49 1d4z h THR 71 CO -0.06 0.38 0.45 0.40 0.37 0.00 0.00 175.52 177.06 1d4z h ILE 72 N 0.53 1.09 -0.09 3.11 2.04 -0.91 -1.25 117.51 122.04 1d4z h ILE 72 Ca 0.10 -0.30 -0.11 0.00 1.00 0.00 0.00 64.86 65.55 1d4z h ILE 72 Cb 0.60 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 1d4z h ILE 72 CO 0.04 0.16 -0.42 0.03 0.00 0.00 0.00 178.15 177.96 1d4z h ARG 73 N 0.87 0.20 0.00 2.37 2.47 -0.97 -2.80 114.38 116.53 1d4z h ARG 73 Ca 0.29 -0.10 0.00 0.00 -1.26 0.00 0.00 59.98 58.92 1d4z h ARG 73 Cb 0.03 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.35 1d4z h ARG 73 CO -0.11 0.59 -0.04 0.00 0.56 0.00 0.00 179.97 180.96 1d4z n ALA 74 N -2.47 2.42 -2.21 0.04 0.00 -0.43 -4.53 120.51 113.33 1d4z n ALA 74 Ca -0.02 -0.11 -0.41 0.00 0.00 0.00 0.00 53.44 52.90 1d4z n ALA 74 Cb 0.48 -1.44 -0.05 0.00 0.00 0.00 0.00 19.45 18.44 1d4z n ALA 74 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1d4z s ASP 75 N -3.11 7.50 0.04 0.00 -1.08 -0.52 -4.99 116.67 114.50 1d4z s ASP 75 Ca 0.14 1.79 -0.25 0.00 -0.52 0.00 0.00 52.55 53.70 1d4z s ASP 75 Cb 0.18 -2.58 -0.17 0.00 -1.46 0.00 0.00 42.92 38.89 1d4z s ASP 75 CO 0.55 -0.03 1.47 1.23 0.52 0.00 0.00 175.17 178.91 1d4z h GLY 76 N 5.38 -0.17 2.00 2.66 0.00 -1.88 -0.08 103.07 110.98 1d4z h GLY 76 Ca -0.43 0.06 -0.09 0.00 0.00 0.00 0.00 47.33 46.86 1d4z h GLY 76 CO 0.71 -0.06 -0.45 0.00 0.00 0.00 0.00 176.54 176.74 1d4z h ALA 77 N 0.46 1.04 -0.16 3.60 0.00 -1.94 -3.33 119.26 118.92 1d4z h ALA 77 Ca -0.02 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1d4z h ALA 77 Cb 0.32 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1d4z h ALA 77 CO 0.03 0.56 0.00 -1.33 0.00 0.00 0.00 179.25 178.51 1d4z n MET 78 N -3.69 2.03 0.08 0.00 2.81 -1.22 -4.79 117.12 112.33 1d4z n MET 78 Ca -0.01 -1.59 0.21 0.00 -1.81 0.00 0.00 57.70 54.50 1d4z n MET 78 Cb 0.52 -1.17 0.72 0.00 -0.71 0.00 0.00 33.22 32.58 1d4z n MET 78 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1d4z h SER 79 N 1.40 0.00 -0.31 7.83 4.64 -0.87 -1.10 113.55 125.14 1d4z h SER 79 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1d4z h SER 79 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1d4z h SER 79 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1d4z n ALA 80 N -2.30 2.42 -1.68 5.18 0.00 -1.26 -4.54 120.51 118.33 1d4z n ALA 80 Ca 0.08 -0.93 -0.42 0.00 0.00 0.00 0.00 53.44 52.17 1d4z n ALA 80 Cb 0.69 -0.82 -0.03 0.00 0.00 0.00 0.00 19.45 19.30 1d4z n ALA 80 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1d4z s LEU 81 N -1.52 4.42 0.27 0.00 2.96 -0.42 -4.92 118.68 119.48 1d4z s LEU 81 Ca 0.35 2.73 -0.30 0.00 -0.22 0.00 0.00 54.13 56.68 1d4z s LEU 81 Cb 0.21 -3.55 -0.12 0.00 0.50 0.00 0.00 46.19 43.23 1d4z s LEU 81 CO 0.30 -1.04 1.50 -2.65 -1.32 0.00 0.00 176.35 173.14 1d4z n PRO 82 N 6.69 2.38 -3.78 0.98 -0.02 -1.26 -4.89 135.00 135.09 1d4z n PRO 82 Ca 0.19 0.84 -0.25 0.00 -2.02 0.00 0.00 63.50 62.26 1d4z n PRO 82 Cb 0.40 -2.56 -0.17 0.00 -0.02 0.00 0.00 33.50 31.14 1d4z n PRO 82 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1d4z s VAL 83 N -0.08 0.53 -0.27 -1.45 1.01 -1.26 -0.97 120.40 117.91 1d4z s VAL 83 Ca 0.65 -0.16 -0.09 0.00 0.00 0.00 0.00 61.98 62.39 1d4z s VAL 83 Cb -0.57 -0.77 -0.03 0.00 0.00 0.00 0.00 36.38 35.01 1d4z s VAL 83 CO 0.50 0.14 0.13 -0.22 0.00 0.00 0.00 175.10 175.64 1d4z s LEU 84 N 1.89 3.77 -0.02 3.92 2.96 0.47 -0.19 118.68 131.48 1d4z s LEU 84 Ca 0.03 -0.21 -0.21 0.00 -0.22 0.00 0.00 54.13 53.52 1d4z s LEU 84 Cb -0.14 -2.00 -0.05 0.00 0.50 0.00 0.00 46.19 44.50 1d4z s LEU 84 CO -0.06 -0.07 0.59 -0.32 -1.32 0.00 0.00 176.35 175.17 1d4z s MET 85 N 1.66 4.32 -0.09 1.98 -2.45 -0.29 -1.81 119.30 122.63 1d4z s MET 85 Ca 0.06 0.72 0.00 0.00 -1.25 0.00 0.00 55.69 55.23 1d4z s MET 85 Cb -0.16 -3.36 -0.03 0.00 1.25 0.00 0.00 34.83 32.54 1d4z s MET 85 CO 0.07 0.33 -0.08 0.08 1.05 0.00 0.00 175.02 176.47 1d4z s VAL 86 N -0.06 3.62 0.02 10.11 1.01 0.24 -0.25 120.40 135.10 1d4z s VAL 86 Ca 0.31 -0.50 -0.09 0.00 0.00 0.00 0.00 61.98 61.71 1d4z s VAL 86 Cb -0.18 -2.50 0.00 0.00 0.00 0.00 0.00 36.38 33.71 1d4z s VAL 86 CO 0.17 0.57 0.18 0.28 0.00 0.00 0.00 175.10 176.30 1d4z s THR 87 N -0.51 0.10 -0.07 3.92 -1.32 -0.47 -1.08 115.64 116.21 1d4z s THR 87 Ca 0.07 -0.81 0.13 0.00 -1.21 0.00 0.00 61.69 59.87 1d4z s THR 87 Cb -0.12 -0.73 -0.06 0.00 -1.51 0.00 0.00 72.50 70.09 1d4z s THR 87 CO 0.02 -0.45 1.27 0.00 -2.21 0.00 0.00 174.62 173.25 1d4z h ALA 88 N 3.78 0.59 -3.00 11.08 0.00 -1.88 0.12 119.26 129.94 1d4z h ALA 88 Ca -0.31 -0.69 -0.23 0.00 0.00 0.00 0.00 54.91 53.68 1d4z h ALA 88 Cb 1.19 -0.02 -0.32 0.00 0.00 0.00 0.00 17.79 18.63 1d4z h ALA 88 CO 0.45 0.89 -0.55 -2.00 0.00 0.00 0.00 179.25 178.04 1d4z s GLU 89 N -2.87 0.13 0.18 0.00 2.12 -1.26 -4.69 118.70 112.31 1d4z s GLU 89 Ca 0.02 0.60 -0.30 0.00 0.36 0.00 0.00 54.97 55.65 1d4z s GLU 89 Cb 0.08 -0.13 -0.08 0.00 0.26 0.00 0.00 34.13 34.26 1d4z s GLU 89 CO 0.78 -0.24 1.31 0.00 -0.54 0.00 0.00 175.26 176.57 1d4z s ALA 90 N 1.92 3.53 -0.04 6.30 0.00 -1.26 -5.01 121.76 127.19 1d4z s ALA 90 Ca -0.03 1.10 0.00 0.00 0.00 0.00 0.00 51.96 53.03 1d4z s ALA 90 Cb -0.12 -3.49 0.03 0.00 0.00 0.00 0.00 23.12 19.54 1d4z s ALA 90 CO -0.08 -0.54 -0.01 0.15 0.00 0.00 0.00 175.76 175.28 1d4z s LYS 91 N 0.09 0.50 0.19 0.00 1.02 -1.26 -5.06 119.74 115.21 1d4z s LYS 91 Ca 0.58 0.04 -0.24 0.00 0.02 0.00 0.00 55.97 56.36 1d4z s LYS 91 Cb -0.36 -0.67 0.08 0.00 -0.52 0.00 0.00 37.83 36.36 1d4z s LYS 91 CO 0.37 -0.15 1.55 -0.22 -0.92 0.00 0.00 175.35 175.98 1d4z h LYS 92 N 7.45 -0.08 -0.49 1.68 3.64 -2.00 0.16 116.57 126.93 1d4z h LYS 92 Ca -0.36 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.00 1d4z h LYS 92 Cb 1.14 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.95 1d4z h LYS 92 CO 0.43 -0.05 0.20 0.93 -2.27 0.00 0.00 179.45 178.69 1d4z h GLU 93 N -0.08 0.70 -0.63 1.90 3.07 -2.00 -2.59 114.58 114.95 1d4z h GLU 93 Ca 0.24 -0.09 -0.05 0.00 -0.50 0.00 0.00 59.36 58.95 1d4z h GLU 93 Cb 0.53 -0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 28.29 1d4z h GLU 93 CO -0.87 0.57 0.19 -0.91 -1.40 0.00 0.00 179.01 176.59 1d4z h ASN 94 N 0.70 0.93 -0.52 1.42 4.21 -1.43 -0.38 115.58 120.51 1d4z h ASN 94 Ca 0.17 -0.21 -0.11 0.00 1.21 0.00 0.00 56.30 57.36 1d4z h ASN 94 Cb 0.13 -0.24 -0.02 0.00 -1.12 0.00 0.00 38.32 37.07 1d4z h ASN 94 CO -0.02 0.89 -0.11 -0.37 -1.29 0.00 0.00 177.43 176.53 1d4z h VAL 95 N 0.91 1.27 -0.12 2.81 -1.51 -1.02 -0.29 116.25 118.31 1d4z h VAL 95 Ca 0.20 -1.26 -0.09 0.00 -1.23 0.00 0.00 66.70 64.33 1d4z h VAL 95 Cb 0.30 1.02 0.00 0.00 -2.13 0.00 0.00 31.29 30.48 1d4z h VAL 95 CO -0.01 0.44 -0.26 0.40 -1.23 0.00 0.00 177.57 176.91 1d4z h ILE 96 N 0.85 1.38 -0.50 7.19 2.04 -1.36 -1.54 117.51 125.56 1d4z h ILE 96 Ca 0.13 -1.55 0.04 0.00 1.00 0.00 0.00 64.86 64.47 1d4z h ILE 96 Cb 0.68 2.09 -0.04 0.00 -0.74 0.00 0.00 36.82 38.81 1d4z h ILE 96 CO 0.05 0.45 0.27 0.00 0.00 0.00 0.00 178.15 178.93 1d4z h ALA 97 N 0.52 0.64 -0.43 1.87 0.00 -0.96 0.26 119.26 121.16 1d4z h ALA 97 Ca 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1d4z h ALA 97 Cb 0.86 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1d4z h ALA 97 CO 0.06 -0.05 0.14 0.00 0.00 0.00 0.00 179.25 179.39 1d4z h ALA 98 N 1.25 0.56 -0.00 0.00 0.00 -1.07 -1.18 119.26 118.81 1d4z h ALA 98 Ca 0.21 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1d4z h ALA 98 Cb 0.08 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1d4z h ALA 98 CO -0.13 0.21 0.00 0.00 0.00 0.00 0.00 179.25 179.33 1d4z h ALA 99 N 0.99 0.00 0.00 0.00 0.00 -0.82 -0.44 119.26 118.99 1d4z h ALA 99 Ca 0.14 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1d4z h ALA 99 Cb 0.26 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1d4z h ALA 99 CO -0.00 -0.42 -0.16 1.96 0.00 0.00 0.00 179.25 180.62 1d4z h GLN 100 N -0.15 0.00 -0.00 0.00 4.20 -0.45 -1.15 115.11 117.56 1d4z h GLN 100 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1d4z h GLN 100 Cb 0.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.94 1d4z h GLN 100 CO -0.00 0.16 -0.01 0.00 -0.67 0.00 0.00 178.83 178.32 1d4z n ALA 101 N -2.39 2.63 0.00 3.87 0.00 -0.45 -4.91 120.51 119.25 1d4z n ALA 101 Ca -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1d4z n ALA 101 Cb 0.25 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.21 1d4z n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1d4z n GLY 102 N 1.10 1.07 3.78 0.00 0.00 -0.43 -4.59 105.19 106.12 1d4z n GLY 102 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 1d4z n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d4z s ALA 103 N -2.00 3.54 0.16 4.61 0.00 -0.20 -4.80 121.76 123.06 1d4z s ALA 103 Ca 0.00 1.56 0.11 0.00 0.00 0.00 0.00 51.96 53.63 1d4z s ALA 103 Cb 0.00 -3.61 0.14 0.00 0.00 0.00 0.00 23.12 19.65 1d4z s ALA 103 CO 0.00 -1.07 1.48 0.77 0.00 0.00 0.00 175.76 176.94 1d4z h SER 104 N 2.94 0.00 -5.83 0.00 0.02 -0.92 -3.44 113.55 106.32 1d4z h SER 104 Ca -0.51 0.00 0.34 0.00 -0.84 0.00 0.00 61.79 60.78 1d4z h SER 104 Cb 1.24 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.70 1d4z h SER 104 CO 0.64 0.73 0.89 -0.83 -1.14 0.00 0.00 176.83 177.12 1d4z s GLY 105 N -4.55 -0.19 -0.02 -3.77 0.00 -1.17 -4.86 107.32 92.76 1d4z s GLY 105 Ca 0.00 0.18 -0.11 0.00 0.00 0.00 0.00 44.72 44.80 1d4z s GLY 105 CO 0.77 4.42 0.23 -2.52 0.00 0.00 0.00 173.10 176.01 1d4z s TYR 106 N -2.10 -0.11 0.01 1.90 -0.85 -1.26 -1.14 117.35 113.80 1d4z s TYR 106 Ca 0.26 0.19 -0.02 0.00 -0.52 0.00 0.00 57.07 56.98 1d4z s TYR 106 Cb 0.01 0.04 -0.01 0.00 0.38 0.00 0.00 41.96 42.38 1d4z s TYR 106 CO -0.01 -0.31 0.02 0.54 -1.52 0.00 0.00 175.55 174.27 1d4z s VAL 107 N -1.09 0.07 -0.14 -3.49 0.11 0.66 -4.92 120.40 111.59 1d4z s VAL 107 Ca -0.12 -0.58 -0.13 0.00 -2.93 0.00 0.00 61.98 58.22 1d4z s VAL 107 Cb -0.06 -0.23 -0.05 0.00 -1.53 0.00 0.00 36.38 34.52 1d4z s VAL 107 CO 0.03 -0.32 0.28 -0.69 -3.33 0.00 0.00 175.10 171.06 1d4z s VAL 108 N -0.97 5.30 0.18 2.04 1.01 -1.26 -1.37 120.40 125.34 1d4z s VAL 108 Ca -0.11 0.52 0.03 0.00 0.00 0.00 0.00 61.98 62.43 1d4z s VAL 108 Cb -0.06 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 1d4z s VAL 108 CO -0.00 0.44 0.30 -1.59 0.00 0.00 0.00 175.10 174.24 1d4z s LYS 109 N 0.15 3.41 0.57 2.72 -2.85 0.41 -4.21 119.74 119.94 1d4z s LYS 109 Ca 0.16 -0.66 -0.17 0.00 -1.00 0.00 0.00 55.97 54.30 1d4z s LYS 109 Cb -0.13 -2.93 -0.04 0.00 -2.06 0.00 0.00 37.83 32.67 1d4z s LYS 109 CO 0.04 0.49 1.08 -1.25 0.10 0.00 0.00 175.35 175.82 1d4z s PRO 110 N -3.46 3.31 0.13 1.78 0.04 -1.26 -4.62 135.00 130.91 1d4z s PRO 110 Ca 0.34 1.37 0.00 0.00 0.04 0.00 0.00 61.00 62.75 1d4z s PRO 110 Cb -0.10 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 1d4z s PRO 110 CO 0.28 -0.84 0.00 -0.59 0.04 0.00 0.00 177.00 175.90 1d4z s PHE 111 N -2.18 0.95 0.49 0.56 -0.12 -1.26 -5.17 117.98 111.24 1d4z s PHE 111 Ca 0.67 -1.08 0.09 0.00 -0.05 0.00 0.00 56.93 56.56 1d4z s PHE 111 Cb -0.19 -0.55 0.04 0.00 -0.63 0.00 0.00 43.02 41.69 1d4z s PHE 111 CO 0.32 -0.32 0.66 0.95 -0.05 0.00 0.00 175.22 176.79 1d4z s THR 112 N -3.81 2.62 0.17 -4.49 -4.23 -1.26 -4.95 115.64 99.68 1d4z s THR 112 Ca 0.19 -1.00 -0.13 0.00 -1.18 0.00 0.00 61.69 59.57 1d4z s THR 112 Cb 0.07 -2.63 0.06 0.00 1.34 0.00 0.00 72.50 71.34 1d4z s THR 112 CO -0.00 0.00 1.75 0.00 -0.54 0.00 0.00 174.62 175.83 1d4z h ALA 113 N 0.44 0.71 -0.83 3.99 0.00 -1.99 -0.34 119.26 121.25 1d4z h ALA 113 Ca -0.36 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 1d4z h ALA 113 Cb 1.28 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 1d4z h ALA 113 CO 0.43 0.27 0.51 0.00 0.00 0.00 0.00 179.25 180.46 1d4z h ALA 114 N 1.11 1.05 -0.37 0.00 0.00 -1.97 0.33 119.26 119.41 1d4z h ALA 114 Ca 0.19 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1d4z h ALA 114 Cb 0.11 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1d4z h ALA 114 CO -0.02 0.51 -0.15 1.15 0.00 0.00 0.00 179.25 180.73 1d4z h THR 115 N 1.13 1.28 -0.68 0.00 2.02 -1.88 -1.14 112.91 113.64 1d4z h THR 115 Ca 0.30 -1.26 -0.07 0.00 0.77 0.00 0.00 66.41 66.14 1d4z h THR 115 Cb -0.06 1.32 -0.03 0.00 -1.74 0.00 0.00 68.15 67.65 1d4z h THR 115 CO -0.06 0.42 0.13 0.25 0.37 0.00 0.00 175.52 176.63 1d4z h LEU 116 N 0.55 1.06 -0.77 2.58 5.85 -0.59 -1.78 115.31 122.21 1d4z h LEU 116 Ca 0.09 -0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.53 1d4z h LEU 116 Cb 0.69 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 1d4z h LEU 116 CO 0.05 1.04 0.35 -0.08 -0.34 0.00 0.00 178.44 179.46 1d4z h GLU 117 N 1.05 1.13 -0.54 1.25 4.81 -0.16 -0.75 114.58 121.36 1d4z h GLU 117 Ca 0.21 -0.18 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 1d4z h GLU 117 Cb 0.41 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1d4z h GLU 117 CO 0.01 0.89 0.22 0.93 -0.73 0.00 0.00 179.01 180.32 1d4z h GLU 118 N 1.10 0.81 -0.32 1.92 5.08 -0.93 -1.05 114.58 121.19 1d4z h GLU 118 Ca 0.26 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 1d4z h GLU 118 Cb 0.15 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1d4z h GLU 118 CO -0.03 0.71 0.12 0.87 -1.00 0.00 0.00 179.01 179.68 1d4z h LYS 119 N 0.74 0.48 -0.22 2.33 1.79 -0.93 -1.76 116.57 119.00 1d4z h LYS 119 Ca 0.18 -0.09 -0.00 0.00 -2.18 0.00 0.00 60.65 58.56 1d4z h LYS 119 Cb 0.20 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.76 1d4z h LYS 119 CO -0.01 0.50 0.12 -0.07 -1.08 0.00 0.00 179.45 178.91 1d4z h LEU 120 N 0.37 0.27 -1.04 2.94 3.38 -0.98 -1.48 115.31 118.76 1d4z h LEU 120 Ca 0.11 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1d4z h LEU 120 Cb 0.20 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 1d4z h LEU 120 CO -0.01 0.27 0.54 0.78 0.09 0.00 0.00 178.44 180.11 1d4z h ASN 121 N 0.25 1.06 -0.46 -0.43 2.35 -1.14 0.35 115.58 117.55 1d4z h ASN 121 Ca 0.08 -0.06 -0.04 0.00 -0.55 0.00 0.00 56.30 55.73 1d4z h ASN 121 Cb 0.05 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 1d4z h ASN 121 CO -0.01 0.81 0.14 0.50 -1.65 0.00 0.00 177.43 177.22 1d4z h LYS 122 N 1.22 0.72 -0.17 0.81 3.64 -1.08 0.76 116.57 122.48 1d4z h LYS 122 Ca 0.32 -0.16 -0.03 0.00 -1.27 0.00 0.00 60.65 59.51 1d4z h LYS 122 Cb -0.06 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 1d4z h LYS 122 CO -0.06 0.69 -0.01 0.82 -2.27 0.00 0.00 179.45 178.62 1d4z h ILE 123 N 0.62 1.26 -0.64 2.00 2.04 -0.70 -0.39 117.51 121.70 1d4z h ILE 123 Ca 0.15 -0.89 0.06 0.00 1.00 0.00 0.00 64.86 65.18 1d4z h ILE 123 Cb 0.27 1.52 -0.06 0.00 -0.74 0.00 0.00 36.82 37.82 1d4z h ILE 123 CO -0.00 0.27 0.34 -0.26 0.00 0.00 0.00 178.15 178.49 1d4z h PHE 124 N 0.04 0.62 -0.17 1.37 0.04 -0.14 0.25 116.94 118.94 1d4z h PHE 124 Ca 0.05 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.82 1d4z h PHE 124 Cb 0.41 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.37 1d4z h PHE 124 CO 0.04 0.28 0.03 1.49 -0.60 0.00 0.00 178.31 179.55 1d4z h GLU 125 N 0.62 0.28 -0.86 1.51 4.81 -0.74 0.26 114.58 120.46 1d4z h GLU 125 Ca 0.29 -0.08 0.04 0.00 -0.13 0.00 0.00 59.36 59.48 1d4z h GLU 125 Cb 0.21 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.51 1d4z h GLU 125 CO -0.19 0.45 0.57 -0.22 -0.73 0.00 0.00 179.01 178.88 1d4z h LYS 126 N 0.07 1.02 -0.00 1.92 3.64 -0.59 -2.30 116.57 120.33 1d4z h LYS 126 Ca 0.05 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1d4z h LYS 126 Cb 0.31 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1d4z h LYS 126 CO 0.00 0.68 -0.29 1.28 -2.27 0.00 0.00 179.45 178.85 1d4z n LEU 127 N -4.45 0.49 -0.46 5.20 4.77 0.03 -4.94 117.00 117.63 1d4z n LEU 127 Ca 0.12 0.05 -0.04 0.00 -0.03 0.00 0.00 56.01 56.11 1d4z n LEU 127 Cb 0.12 -0.26 -0.00 0.00 -2.33 0.00 0.00 43.42 40.95 1d4z n LEU 127 CO 0.35 0.11 -0.05 0.61 -1.33 0.00 0.00 177.39 177.07 1d4z n GLY 128 N 1.43 0.20 0.79 -0.72 0.00 0.02 -5.06 105.19 101.85 1d4z n GLY 128 Ca 0.09 -0.72 0.13 0.00 0.00 0.00 0.00 46.02 45.51 1d4z n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35