#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ycz n LYS 2 N 0.00 2.33 -0.22 2.12 5.02 -1.26 -4.84 118.16 121.31 1ycz n LYS 2 Ca 0.00 0.83 0.10 0.00 -2.02 0.00 0.00 58.31 57.21 1ycz n LYS 2 Cb 0.00 -2.51 0.37 0.00 -0.02 0.00 0.00 35.03 32.87 1ycz n LYS 2 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1ycz h GLU 3 N 3.91 0.69 0.00 1.97 4.57 -2.00 -0.88 114.58 122.84 1ycz h GLU 3 Ca -0.46 -0.04 -0.06 0.00 -1.18 0.00 0.00 59.36 57.62 1ycz h GLU 3 Cb 1.26 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 29.68 1ycz h GLU 3 CO 0.73 0.46 -0.27 1.57 -1.18 0.00 0.00 179.01 180.32 1ycz h LYS 4 N 0.71 0.00 0.12 1.92 2.10 -1.99 -0.40 116.57 119.04 1ycz h LYS 4 Ca 0.38 0.00 -0.27 0.00 -2.00 0.00 0.00 60.65 58.76 1ycz h LYS 4 Cb 0.51 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 31.87 1ycz h LYS 4 CO -0.15 0.27 -1.14 0.82 -2.00 0.00 0.00 179.45 177.25 1ycz h ILE 5 N 0.00 1.33 -0.60 0.07 2.04 -1.55 -1.74 117.51 117.06 1ycz h ILE 5 Ca -0.00 -2.44 0.03 0.00 1.00 0.00 0.00 64.86 63.44 1ycz h ILE 5 Cb 0.53 2.78 -0.04 0.00 -0.74 0.00 0.00 36.82 39.35 1ycz h ILE 5 CO 0.03 0.73 0.37 -0.09 0.00 0.00 0.00 178.15 179.20 1ycz h ARG 6 N 0.14 0.71 -0.48 2.37 2.43 -0.96 -0.72 114.38 117.87 1ycz h ARG 6 Ca -0.18 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 58.97 1ycz h ARG 6 Cb 1.84 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 31.19 1ycz h ARG 6 CO 0.22 0.47 0.28 -0.22 -1.51 0.00 0.00 179.97 179.21 1ycz h LYS 7 N 0.74 0.55 -0.73 0.20 3.64 -1.06 -1.67 116.57 118.23 1ycz h LYS 7 Ca 0.24 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.55 1ycz h LYS 7 Cb 0.01 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.68 1ycz h LYS 7 CO -0.10 0.36 0.30 -0.22 -2.27 0.00 0.00 179.45 177.53 1ycz h LYS 8 N 0.56 1.08 -0.43 1.90 3.64 -0.83 -1.53 116.57 120.96 1ycz h LYS 8 Ca 0.19 -0.19 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1ycz h LYS 8 Cb 0.03 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.65 1ycz h LYS 8 CO -0.09 0.88 0.27 0.82 -2.27 0.00 0.00 179.45 179.06 1ycz h ILE 9 N 1.04 1.13 0.00 2.00 2.04 -0.81 -2.09 117.51 120.82 1ycz h ILE 9 Ca 0.24 -0.28 -0.05 0.00 1.00 0.00 0.00 64.86 65.78 1ycz h ILE 9 Cb 0.20 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 1ycz h ILE 9 CO -0.02 0.13 -0.22 -0.07 0.00 0.00 0.00 178.15 177.97 1ycz h LEU 10 N 0.58 0.00 -0.01 1.44 3.38 -0.86 -2.67 115.31 117.16 1ycz h LEU 10 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1ycz h LEU 10 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1ycz h LEU 10 CO -0.03 0.22 -0.47 0.18 0.09 0.00 0.00 178.44 178.42 1ycz n LEU 11 N -3.44 0.49 -4.75 1.67 4.77 -0.62 -4.98 117.00 110.14 1ycz n LEU 11 Ca -0.00 0.01 -0.41 0.00 -0.03 0.00 0.00 56.01 55.58 1ycz n LEU 11 Cb 0.40 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1ycz n LEU 11 CO 0.33 0.12 1.06 0.00 -1.33 0.00 0.00 177.39 177.57 1ycz n ALA 12 N -1.48 2.04 -1.72 -1.18 0.00 -0.81 -4.97 120.51 112.39 1ycz n ALA 12 Ca 0.06 0.33 -0.31 0.00 0.00 0.00 0.00 53.44 53.52 1ycz n ALA 12 Cb 0.34 -2.37 0.04 0.00 0.00 0.00 0.00 19.45 17.45 1ycz n ALA 12 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1ycz s PRO 13 N -2.12 3.07 -1.43 0.00 0.04 -1.26 -4.12 135.00 129.17 1ycz s PRO 13 Ca 0.55 0.77 -0.11 0.00 0.04 0.00 0.00 61.00 62.26 1ycz s PRO 13 Cb -0.49 -2.02 0.05 0.00 0.04 0.00 0.00 34.50 32.08 1ycz s PRO 13 CO 0.62 -0.96 2.33 0.39 0.04 0.00 0.00 177.00 179.43 1ycz n GLU 14 N -3.01 3.49 -3.98 4.56 1.02 -1.26 -1.35 120.64 120.10 1ycz n GLU 14 Ca 0.07 -2.86 -0.09 0.00 -0.02 0.00 0.00 57.16 54.26 1ycz n GLU 14 Cb 0.55 -2.99 -0.10 0.00 -0.02 0.00 0.00 31.44 28.87 1ycz n GLU 14 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1ycz s GLU 15 N 1.64 0.48 0.55 3.49 0.41 -1.26 -4.86 118.70 119.14 1ycz s GLU 15 Ca 0.51 -0.79 -0.21 0.00 -0.41 0.00 0.00 54.97 54.08 1ycz s GLU 15 Cb 0.14 0.18 -0.05 0.00 -1.78 0.00 0.00 34.13 32.62 1ycz s GLU 15 CO -0.06 -0.10 1.23 -1.25 -0.49 0.00 0.00 175.26 174.59 1ycz s PRO 16 N -2.41 3.23 -0.03 0.39 0.04 -0.96 -0.43 135.00 134.83 1ycz s PRO 16 Ca -0.07 1.90 -0.29 0.00 0.04 0.00 0.00 61.00 62.58 1ycz s PRO 16 Cb -0.03 -2.13 0.09 0.00 0.04 0.00 0.00 34.50 32.48 1ycz s PRO 16 CO -0.04 -1.02 1.30 0.20 0.04 0.00 0.00 177.00 177.48 1ycz s GLY 17 N -1.40 -0.13 0.01 0.56 0.00 -0.58 -1.89 107.32 103.90 1ycz s GLY 17 Ca 0.72 0.03 0.08 0.00 0.00 0.00 0.00 44.72 45.55 1ycz s GLY 17 CO 0.36 6.10 -0.24 0.14 0.00 0.00 0.00 173.10 179.46 1ycz s VAL 18 N -2.01 1.92 0.09 1.40 1.01 -0.19 -0.94 120.40 121.68 1ycz s VAL 18 Ca 0.31 -1.16 0.07 0.00 0.00 0.00 0.00 61.98 61.20 1ycz s VAL 18 Cb -0.01 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 1ycz s VAL 18 CO -0.01 0.42 -0.19 -0.72 0.00 0.00 0.00 175.10 174.60 1ycz s TYR 19 N -0.68 1.63 -0.19 5.22 -0.85 0.06 -0.35 117.35 122.19 1ycz s TYR 19 Ca 0.10 -0.43 -0.03 0.00 -0.52 0.00 0.00 57.07 56.19 1ycz s TYR 19 Cb -0.09 -0.90 0.06 0.00 0.38 0.00 0.00 41.96 41.41 1ycz s TYR 19 CO 0.00 0.16 0.05 0.42 -1.52 0.00 0.00 175.55 174.66 1ycz s ILE 20 N -1.17 0.42 0.16 -3.49 1.01 0.06 -1.21 121.20 116.97 1ycz s ILE 20 Ca 0.04 -0.51 -0.30 0.00 0.00 0.00 0.00 60.65 59.88 1ycz s ILE 20 Cb -0.10 -0.97 -0.07 0.00 0.01 0.00 0.00 42.46 41.33 1ycz s ILE 20 CO 0.04 -0.24 0.94 -0.36 0.00 0.00 0.00 174.94 175.32 1ycz s PHE 21 N 1.90 3.88 0.14 3.97 0.40 -0.12 -0.77 117.98 127.38 1ycz s PHE 21 Ca -0.00 1.82 0.04 0.00 -0.60 0.00 0.00 56.93 58.19 1ycz s PHE 21 Cb -0.17 -3.00 -0.04 0.00 0.51 0.00 0.00 43.02 40.31 1ycz s PHE 21 CO -0.09 0.32 -0.10 0.15 0.70 0.00 0.00 175.22 176.20 1ycz s LYS 22 N -0.50 1.01 -0.05 0.44 1.02 -0.02 -0.11 119.74 121.54 1ycz s LYS 22 Ca 0.44 -1.40 -0.00 0.00 0.02 0.00 0.00 55.97 55.02 1ycz s LYS 22 Cb -0.24 -0.58 0.03 0.00 -0.52 0.00 0.00 37.83 36.51 1ycz s LYS 22 CO 0.30 0.07 0.00 1.21 -0.92 0.00 0.00 175.35 176.01 1ycz s ASN 23 N -3.06 1.04 -1.49 2.83 2.47 0.10 -0.61 114.94 116.21 1ycz s ASN 23 Ca 0.15 -0.05 -0.07 0.00 0.42 0.00 0.00 52.86 53.31 1ycz s ASN 23 Cb 0.02 -0.33 0.06 0.00 -1.45 0.00 0.00 41.25 39.55 1ycz s ASN 23 CO 0.00 -0.15 0.65 0.29 -3.72 0.00 0.00 177.10 174.17 1ycz n LYS 24 N 4.66 -3.87 -0.24 0.43 5.02 -1.26 -1.65 118.16 121.25 1ycz n LYS 24 Ca -0.16 0.46 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 1ycz n LYS 24 Cb 0.50 -4.92 0.00 0.00 -0.02 0.00 0.00 35.03 30.59 1ycz n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ycz n GLY 25 N -1.74 2.11 3.54 0.72 0.00 -1.26 -5.02 105.19 103.54 1ycz n GLY 25 Ca -0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 1ycz n GLY 25 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ycz s VAL 26 N -3.09 4.52 0.24 1.61 1.01 -0.66 -5.07 120.40 118.97 1ycz s VAL 26 Ca 0.00 -0.12 -0.31 0.00 0.00 0.00 0.00 61.98 61.55 1ycz s VAL 26 Cb 0.00 -3.07 -0.12 0.00 0.00 0.00 0.00 36.38 33.20 1ycz s VAL 26 CO 0.00 0.41 1.66 -2.84 0.00 0.00 0.00 175.10 174.32 1ycz s PRO 27 N 0.92 4.13 -0.01 2.72 0.02 -1.26 -0.72 135.00 140.79 1ycz s PRO 27 Ca 0.03 2.58 0.10 0.00 0.02 0.00 0.00 61.00 63.73 1ycz s PRO 27 Cb -0.14 -3.06 -0.15 0.00 0.02 0.00 0.00 34.50 31.18 1ycz s PRO 27 CO 0.03 -0.69 0.22 0.44 -0.33 0.00 0.00 177.00 176.66 1ycz n ILE 28 N 3.25 0.00 -3.66 2.83 -5.35 0.84 -4.21 119.36 113.05 1ycz n ILE 28 Ca 0.13 -0.22 -0.10 0.00 -0.27 0.00 0.00 62.75 62.29 1ycz n ILE 28 Cb 0.36 0.31 -0.08 0.00 -1.74 0.00 0.00 39.64 38.49 1ycz n ILE 28 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 1ycz s TYR 29 N -2.63 -0.84 -0.07 4.28 5.04 -1.09 -0.85 117.35 121.19 1ycz s TYR 29 Ca -0.03 1.77 0.05 0.00 -2.44 0.00 0.00 57.07 56.42 1ycz s TYR 29 Cb 0.06 0.43 -0.01 0.00 0.35 0.00 0.00 41.96 42.80 1ycz s TYR 29 CO 0.39 -0.43 -0.23 0.42 -1.34 0.00 0.00 175.55 174.37 1ycz s ILE 30 N 1.24 1.91 0.26 3.14 1.01 -1.26 -0.94 121.20 126.55 1ycz s ILE 30 Ca -0.07 -0.97 0.01 0.00 0.00 0.00 0.00 60.65 59.61 1ycz s ILE 30 Cb -0.06 -1.63 -0.03 0.00 0.01 0.00 0.00 42.46 40.75 1ycz s ILE 30 CO -0.13 0.53 0.23 -0.83 0.00 0.00 0.00 174.94 174.75 1ycz s GLY 31 N 0.03 1.67 0.33 6.18 0.00 -0.35 -4.98 107.32 110.20 1ycz s GLY 31 Ca -0.08 -1.75 0.05 0.00 0.00 0.00 0.00 44.72 42.94 1ycz s GLY 31 CO 0.05 -1.34 0.01 -1.59 0.00 0.00 0.00 173.10 170.23 1ycz s LYS 32 N -3.83 1.68 -0.11 2.90 -2.85 -1.26 -0.76 119.74 115.50 1ycz s LYS 32 Ca 0.38 -1.91 -0.13 0.00 -1.00 0.00 0.00 55.97 53.31 1ycz s LYS 32 Cb 0.04 -1.12 0.03 0.00 -2.06 0.00 0.00 37.83 34.73 1ycz s LYS 32 CO 0.18 -0.08 0.35 0.00 0.10 0.00 0.00 175.35 175.89 1ycz s ALA 33 N -3.08 -0.86 0.19 0.59 0.00 -0.11 -4.95 121.76 113.54 1ycz s ALA 33 Ca 0.34 0.88 -0.04 0.00 0.00 0.00 0.00 51.96 53.14 1ycz s ALA 33 Cb 0.07 -0.47 0.12 0.00 0.00 0.00 0.00 23.12 22.84 1ycz s ALA 33 CO 0.15 -0.18 1.52 0.87 0.00 0.00 0.00 175.76 178.12 1ycz h LYS 34 N 5.29 0.61 -3.54 0.00 1.57 -1.86 -1.53 116.57 117.11 1ycz h LYS 34 Ca -0.27 -0.36 -0.53 0.00 -1.87 0.00 0.00 60.65 57.63 1ycz h LYS 34 Cb 1.18 0.03 -0.40 0.00 0.08 0.00 0.00 32.23 33.13 1ycz h LYS 34 CO 0.30 0.96 -0.76 1.03 -0.57 0.00 0.00 179.45 180.41 1ycz s ARG 35 N -4.11 0.67 0.24 3.15 0.52 -1.26 -2.27 118.95 115.89 1ycz s ARG 35 Ca -0.08 -0.51 -0.06 0.00 -0.52 0.00 0.00 55.73 54.56 1ycz s ARG 35 Cb 0.11 -2.09 0.42 0.00 0.52 0.00 0.00 34.95 33.92 1ycz s ARG 35 CO 0.84 -0.69 1.69 -0.07 0.02 0.00 0.00 175.30 177.10 1ycz h LEU 36 N 8.23 0.03 -0.12 2.53 3.38 -0.71 -2.16 115.31 126.49 1ycz h LEU 36 Ca -0.16 0.14 0.04 0.00 0.09 0.00 0.00 57.88 57.99 1ycz h LEU 36 Cb 1.10 0.18 -0.06 0.00 0.09 0.00 0.00 40.66 41.97 1ycz h LEU 36 CO 0.36 -0.02 -0.37 0.77 0.09 0.00 0.00 178.44 179.27 1ycz h SER 37 N 0.28 -1.14 -0.19 -0.43 4.64 -1.37 0.30 113.55 115.65 1ycz h SER 37 Ca 0.39 0.16 0.01 0.00 -0.47 0.00 0.00 61.79 61.88 1ycz h SER 37 Cb 0.64 0.47 -0.01 0.00 -0.31 0.00 0.00 62.40 63.19 1ycz h SER 37 CO -0.48 -0.39 0.10 0.78 -0.87 0.00 0.00 176.83 175.96 1ycz h ASN 38 N -0.45 0.15 -0.24 4.97 2.35 -1.74 -1.35 115.58 119.27 1ycz h ASN 38 Ca 0.08 0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.76 1ycz h ASN 38 Cb 0.59 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.93 1ycz h ASN 38 CO -0.37 0.11 -0.16 -0.09 -1.65 0.00 0.00 177.43 175.28 1ycz h ARG 39 N 0.21 0.54 -0.17 0.81 9.65 -1.25 -3.08 114.38 121.10 1ycz h ARG 39 Ca 0.07 -0.25 -0.11 0.00 -1.10 0.00 0.00 59.98 58.59 1ycz h ARG 39 Cb 0.01 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.57 1ycz h ARG 39 CO -0.05 0.82 -0.37 -0.07 2.80 0.00 0.00 179.97 183.11 1ycz h LEU 40 N 0.25 0.37 -2.02 3.80 3.38 -0.91 -2.45 115.31 117.73 1ycz h LEU 40 Ca 0.05 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1ycz h LEU 40 Cb 0.69 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 1ycz h LEU 40 CO 0.04 0.71 -0.10 0.03 0.09 0.00 0.00 178.44 179.22 1ycz h ARG 41 N 0.30 0.00 0.00 1.13 3.08 -1.17 -1.14 114.38 116.59 1ycz h ARG 41 Ca 0.03 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 1ycz h ARG 41 Cb 0.79 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.84 1ycz h ARG 41 CO 0.06 0.10 -0.02 0.66 -1.07 0.00 0.00 179.97 179.69 1ycz h SER 42 N 0.00 0.00 0.95 7.04 4.64 -1.35 -0.87 113.55 123.96 1ycz h SER 42 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ycz h SER 42 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1ycz h SER 42 CO 0.01 0.02 0.00 1.88 -0.87 0.00 0.00 176.83 177.88 1ycz h TYR 43 N 0.00 0.00 0.00 4.77 -1.99 -1.33 -2.90 116.97 115.51 1ycz h TYR 43 Ca -0.00 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.63 1ycz h TYR 43 Cb 0.06 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.78 1ycz h TYR 43 CO 0.00 0.00 -0.47 -0.07 -0.00 0.00 0.00 178.16 177.62 1ycz h LEU 44 N 0.00 0.00 -7.04 3.88 3.38 -1.29 -3.36 115.31 110.88 1ycz h LEU 44 Ca 0.00 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.35 1ycz h LEU 44 Cb 0.48 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 40.82 1ycz h LEU 44 CO 0.00 0.47 -0.68 0.20 0.09 0.00 0.00 178.44 178.52 1ycz s ASN 45 N -6.47 3.97 0.01 -0.43 0.01 -1.10 -5.09 114.94 105.86 1ycz s ASN 45 Ca 0.02 -3.24 -0.30 0.00 -0.71 0.00 0.00 52.86 48.62 1ycz s ASN 45 Cb 0.10 -1.33 -0.07 0.00 0.41 0.00 0.00 41.25 40.36 1ycz s ASN 45 CO 0.72 -0.18 1.65 -2.16 -1.51 0.00 0.00 177.10 175.63 1ycz s PRO 46 N -0.52 4.19 0.31 -0.60 0.04 -1.26 -4.87 135.00 132.29 1ycz s PRO 46 Ca 0.22 2.26 0.24 0.00 0.04 0.00 0.00 61.00 63.76 1ycz s PRO 46 Cb -0.14 -3.79 0.37 0.00 0.04 0.00 0.00 34.50 30.98 1ycz s PRO 46 CO -0.09 -0.78 1.49 1.96 0.04 0.00 0.00 177.00 179.62 1ycz h GLN 47 N 8.94 0.00 -4.49 4.56 1.08 -1.95 -3.47 115.11 119.78 1ycz h GLN 47 Ca -0.41 0.00 -0.19 0.00 -1.45 0.00 0.00 58.65 56.60 1ycz h GLN 47 Cb 1.19 0.00 -0.15 0.00 -0.05 0.00 0.00 27.48 28.47 1ycz h GLN 47 CO 0.94 0.00 -0.68 0.95 -0.95 0.00 0.00 178.83 179.09 1ycz s THR 48 N -3.21 0.41 0.26 -0.54 -4.23 -1.26 -5.05 115.64 102.02 1ycz s THR 48 Ca 0.06 -1.89 -0.05 0.00 -1.18 0.00 0.00 61.69 58.63 1ycz s THR 48 Cb 0.08 -1.77 0.25 0.00 1.34 0.00 0.00 72.50 72.41 1ycz s THR 48 CO 0.69 -0.77 1.93 -0.33 -0.54 0.00 0.00 174.62 175.59 1ycz h GLU 49 N 2.97 1.24 -0.61 3.99 4.39 -1.99 -1.83 114.58 122.72 1ycz h GLU 49 Ca -0.35 -0.09 -0.00 0.00 0.34 0.00 0.00 59.36 59.26 1ycz h GLU 49 Cb 1.17 -0.27 -0.03 0.00 -0.10 0.00 0.00 28.75 29.52 1ycz h GLU 49 CO 0.64 0.83 0.38 -0.22 -1.16 0.00 0.00 179.01 179.48 1ycz h LYS 50 N 1.27 0.83 -0.86 2.33 3.64 -1.99 0.09 116.57 121.88 1ycz h LYS 50 Ca 0.34 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.63 1ycz h LYS 50 Cb -0.12 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 31.48 1ycz h LYS 50 CO -0.07 0.58 0.43 0.28 -2.27 0.00 0.00 179.45 178.40 1ycz h VAL 51 N 0.83 1.26 0.01 2.00 2.07 -1.90 -0.57 116.25 119.95 1ycz h VAL 51 Ca 0.22 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1ycz h VAL 51 Cb -0.04 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 29.86 1ycz h VAL 51 CO -0.04 0.31 -0.02 0.15 0.02 0.00 0.00 177.57 177.98 1ycz h PHE 52 N 1.22 -0.06 -0.40 1.57 3.57 -0.69 -2.59 116.94 119.55 1ycz h PHE 52 Ca 0.30 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.84 1ycz h PHE 52 Cb 0.09 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.81 1ycz h PHE 52 CO 0.01 -0.04 0.16 0.00 -2.23 0.00 0.00 178.31 176.21 1ycz h ARG 53 N -0.04 0.32 -0.33 1.11 3.08 -0.53 -1.84 114.38 116.15 1ycz h ARG 53 Ca 0.01 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.09 1ycz h ARG 53 Cb 0.05 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 29.98 1ycz h ARG 53 CO -0.02 0.21 0.03 0.82 -1.07 0.00 0.00 179.97 179.95 1ycz h ILE 54 N 0.33 0.80 0.00 2.04 2.04 -1.04 0.70 117.51 122.37 1ycz h ILE 54 Ca 0.18 -0.05 -0.05 0.00 1.00 0.00 0.00 64.86 65.95 1ycz h ILE 54 Cb 0.15 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 1ycz h ILE 54 CO -0.17 0.02 -0.22 1.23 0.00 0.00 0.00 178.15 179.02 1ycz h GLY 55 N 0.13 0.00 0.80 5.37 0.00 -1.11 -2.35 103.07 105.92 1ycz h GLY 55 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.14 1ycz h GLY 55 CO -0.24 0.00 -1.85 0.83 0.00 0.00 0.00 176.54 175.28 1ycz h GLU 56 N 0.00 0.24 -0.00 4.80 4.39 -0.85 -3.39 114.58 119.77 1ycz h GLU 56 Ca -0.00 -0.41 -0.17 0.00 0.34 0.00 0.00 59.36 59.11 1ycz h GLU 56 Cb 0.58 0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.36 1ycz h GLU 56 CO 0.03 1.10 -0.80 1.49 -1.16 0.00 0.00 179.01 179.67 1ycz h GLU 57 N 0.07 0.06 -6.93 2.33 4.81 -0.82 -3.46 114.58 110.64 1ycz h GLU 57 Ca -0.37 -0.06 -0.54 0.00 -0.13 0.00 0.00 59.36 58.27 1ycz h GLU 57 Cb 2.04 0.02 0.10 0.00 0.63 0.00 0.00 28.75 31.54 1ycz h GLU 57 CO 0.11 0.82 0.80 0.00 -0.73 0.00 0.00 179.01 180.01 1ycz s ALA 58 N -3.25 3.60 -1.14 2.92 0.00 -0.89 -4.76 121.76 118.25 1ycz s ALA 58 Ca -0.01 1.58 0.10 0.00 0.00 0.00 0.00 51.96 53.63 1ycz s ALA 58 Cb 0.11 -3.62 0.13 0.00 0.00 0.00 0.00 23.12 19.75 1ycz s ALA 58 CO 0.80 -1.05 0.93 -0.40 0.00 0.00 0.00 175.76 176.03 1ycz n ASP 59 N 0.71 2.11 -3.61 0.00 5.68 0.22 -4.67 116.55 116.98 1ycz n ASP 59 Ca 0.02 -1.58 -0.15 0.00 -0.50 0.00 0.00 54.79 52.58 1ycz n ASP 59 Cb 0.39 -0.06 -0.07 0.00 -1.14 0.00 0.00 41.12 40.24 1ycz n ASP 59 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 1ycz s GLU 60 N -0.88 0.86 -0.11 0.11 2.12 -1.09 -4.98 118.70 114.73 1ycz s GLU 60 Ca 0.14 0.51 0.00 0.00 0.36 0.00 0.00 54.97 55.98 1ycz s GLU 60 Cb 0.09 0.41 0.02 0.00 0.26 0.00 0.00 34.13 34.91 1ycz s GLU 60 CO 0.13 -0.20 -0.10 -1.17 -0.54 0.00 0.00 175.26 173.38 1ycz s LEU 61 N -0.47 1.38 -0.10 2.70 2.96 -1.26 -0.84 118.68 123.05 1ycz s LEU 61 Ca -0.06 -0.33 -0.03 0.00 -0.22 0.00 0.00 54.13 53.49 1ycz s LEU 61 Cb -0.03 -0.89 -0.03 0.00 0.50 0.00 0.00 46.19 45.73 1ycz s LEU 61 CO 0.05 -0.07 0.02 -0.70 -1.32 0.00 0.00 176.35 174.33 1ycz s GLU 62 N 1.41 3.17 0.07 1.98 2.12 0.05 -4.98 118.70 122.53 1ycz s GLU 62 Ca 0.00 -0.37 0.09 0.00 0.36 0.00 0.00 54.97 55.05 1ycz s GLU 62 Cb -0.13 -2.89 -0.03 0.00 0.26 0.00 0.00 34.13 31.33 1ycz s GLU 62 CO -0.06 0.65 -0.24 0.95 -0.54 0.00 0.00 175.26 176.03 1ycz s THR 63 N -0.73 1.94 -0.19 -1.70 -4.23 -1.26 -0.76 115.64 108.71 1ycz s THR 63 Ca 0.12 -1.43 0.00 0.00 -1.18 0.00 0.00 61.69 59.20 1ycz s THR 63 Cb -0.12 -1.70 0.04 0.00 1.34 0.00 0.00 72.50 72.07 1ycz s THR 63 CO 0.02 0.19 -0.07 -0.63 -0.54 0.00 0.00 174.62 173.59 1ycz s ILE 64 N -0.91 1.36 0.10 2.99 1.01 0.53 -5.00 121.20 121.28 1ycz s ILE 64 Ca 0.10 -0.85 -0.30 0.00 0.00 0.00 0.00 60.65 59.60 1ycz s ILE 64 Cb -0.10 -1.51 -0.06 0.00 0.01 0.00 0.00 42.46 40.80 1ycz s ILE 64 CO 0.03 0.11 1.05 -0.69 0.00 0.00 0.00 174.94 175.44 1ycz s VAL 65 N 1.52 4.30 0.42 2.92 1.01 -1.26 -1.02 120.40 128.29 1ycz s VAL 65 Ca -0.01 1.83 0.06 0.00 0.00 0.00 0.00 61.98 63.86 1ycz s VAL 65 Cb -0.16 -4.17 -0.07 0.00 0.00 0.00 0.00 36.38 31.98 1ycz s VAL 65 CO -0.08 0.24 0.01 0.68 0.00 0.00 0.00 175.10 175.96 1ycz s VAL 66 N 0.29 1.88 0.21 2.92 -7.23 -0.79 -4.97 120.40 112.70 1ycz s VAL 66 Ca 0.51 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.64 1ycz s VAL 66 Cb -0.26 -2.89 -0.01 0.00 0.56 0.00 0.00 36.38 33.79 1ycz s VAL 66 CO 0.31 0.00 1.57 0.24 -0.31 0.00 0.00 175.10 176.91 1ycz h MET 67 N 1.72 0.64 -2.49 4.82 2.86 -1.95 -3.43 114.93 117.10 1ycz h MET 67 Ca -0.44 -0.32 0.18 0.00 -2.06 0.00 0.00 59.70 57.05 1ycz h MET 67 Cb 1.25 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.88 1ycz h MET 67 CO 0.80 0.92 0.61 0.54 1.06 0.00 0.00 176.91 180.85 1ycz s ASN 68 N -6.85 -0.00 0.39 1.22 2.20 -1.26 -4.98 114.94 105.67 1ycz s ASN 68 Ca -0.08 -0.63 0.17 0.00 -0.94 0.00 0.00 52.86 51.38 1ycz s ASN 68 Cb 0.12 0.47 0.82 0.00 -2.00 0.00 0.00 41.25 40.66 1ycz s ASN 68 CO 0.83 -0.93 1.84 -0.33 -2.94 0.00 0.00 177.10 175.57 1ycz h GLU 69 N 2.00 0.00 -0.49 3.55 5.08 -1.94 -2.02 114.58 120.76 1ycz h GLU 69 Ca -0.27 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.06 1ycz h GLU 69 Cb 1.22 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 1ycz h GLU 69 CO 0.35 0.34 0.18 0.00 -1.00 0.00 0.00 179.01 178.89 1ycz h ARG 70 N 0.00 0.75 -0.63 2.33 3.08 -2.00 -1.44 114.38 116.47 1ycz h ARG 70 Ca -0.00 -0.14 -0.08 0.00 0.07 0.00 0.00 59.98 59.82 1ycz h ARG 70 Cb 0.68 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 1ycz h ARG 70 CO 0.04 0.68 0.07 1.49 -1.07 0.00 0.00 179.97 181.18 1ycz h GLU 71 N 0.66 1.06 -0.83 0.04 4.81 -1.82 -2.71 114.58 115.79 1ycz h GLU 71 Ca 0.16 -0.30 0.07 0.00 -0.13 0.00 0.00 59.36 59.16 1ycz h GLU 71 Cb 0.22 -0.12 -0.06 0.00 0.63 0.00 0.00 28.75 29.42 1ycz h GLU 71 CO -0.01 1.00 0.51 0.00 -0.73 0.00 0.00 179.01 179.78 1ycz h ALA 72 N 1.02 1.15 0.12 2.92 0.00 -1.16 0.05 119.26 123.36 1ycz h ALA 72 Ca 0.19 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1ycz h ALA 72 Cb 0.48 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1ycz h ALA 72 CO 0.02 0.22 -0.06 0.35 0.00 0.00 0.00 179.25 179.78 1ycz h PHE 73 N 0.91 -0.15 -0.04 0.00 3.57 -0.96 -0.83 116.94 119.44 1ycz h PHE 73 Ca 0.37 -0.00 -0.23 0.00 3.53 0.00 0.00 57.97 61.64 1ycz h PHE 73 Cb 0.20 0.05 0.01 0.00 2.79 0.00 0.00 35.95 39.00 1ycz h PHE 73 CO -0.04 -0.06 -0.91 0.97 -2.23 0.00 0.00 178.31 176.05 1ycz h ILE 74 N -0.21 1.34 -0.43 1.41 6.09 -1.36 -2.49 117.51 121.85 1ycz h ILE 74 Ca -0.02 -2.24 -0.03 0.00 -1.37 0.00 0.00 64.86 61.20 1ycz h ILE 74 Cb 0.16 2.27 -0.02 0.00 0.47 0.00 0.00 36.82 39.70 1ycz h ILE 74 CO 0.03 0.69 0.15 0.25 -3.07 0.00 0.00 178.15 176.19 1ycz h LEU 75 N 0.35 0.62 -0.19 2.19 5.85 -0.96 -0.22 115.31 122.95 1ycz h LEU 75 Ca -0.08 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.45 1ycz h LEU 75 Cb 1.54 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.39 1ycz h LEU 75 CO 0.17 0.65 0.12 -0.08 -0.34 0.00 0.00 178.44 178.96 1ycz h GLU 76 N 0.56 0.24 -0.45 1.25 4.81 -1.16 -0.36 114.58 119.47 1ycz h GLU 76 Ca 0.14 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.39 1ycz h GLU 76 Cb 0.25 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.54 1ycz h GLU 76 CO -0.01 0.16 0.23 0.00 -0.73 0.00 0.00 179.01 178.67 1ycz h ALA 77 N 1.08 0.57 -0.57 2.92 0.00 -1.23 -0.66 119.26 121.37 1ycz h ALA 77 Ca 0.07 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ycz h ALA 77 Cb -0.02 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1ycz h ALA 77 CO -0.03 -0.11 0.35 -0.91 0.00 0.00 0.00 179.25 178.55 1ycz h ASN 78 N 0.47 0.68 0.21 0.00 2.35 -0.74 -1.36 115.58 117.19 1ycz h ASN 78 Ca 0.19 -0.05 -0.16 0.00 -0.55 0.00 0.00 56.30 55.73 1ycz h ASN 78 Cb 0.08 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 1ycz h ASN 78 CO -0.12 0.53 -0.59 -0.07 -1.65 0.00 0.00 177.43 175.53 1ycz h LEU 79 N 0.77 0.43 -0.36 1.61 3.38 -0.72 -0.94 115.31 119.48 1ycz h LEU 79 Ca 0.20 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 1ycz h LEU 79 Cb -0.02 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1ycz h LEU 79 CO -0.04 0.93 0.04 0.40 0.09 0.00 0.00 178.44 179.86 1ycz h ILE 80 N 0.29 1.25 -0.91 1.22 2.04 -0.95 -0.48 117.51 119.96 1ycz h ILE 80 Ca -0.00 -0.89 -0.00 0.00 1.00 0.00 0.00 64.86 64.97 1ycz h ILE 80 Cb 1.12 1.13 -0.04 0.00 -0.74 0.00 0.00 36.82 38.28 1ycz h ILE 80 CO 0.10 0.30 0.57 0.11 0.00 0.00 0.00 178.15 179.23 1ycz h LYS 81 N 0.44 1.23 -0.18 2.37 1.57 -1.07 0.20 116.57 121.12 1ycz h LYS 81 Ca 0.11 -0.10 -0.08 0.00 -1.87 0.00 0.00 60.65 58.71 1ycz h LYS 81 Cb 0.39 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 1ycz h LYS 81 CO 0.01 0.85 -0.20 -0.22 -0.57 0.00 0.00 179.45 179.31 1ycz h LYS 82 N 1.25 0.45 0.00 3.15 3.64 -0.82 -3.36 116.57 120.88 1ycz h LYS 82 Ca 0.33 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1ycz h LYS 82 Cb -0.08 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 1ycz h LYS 82 CO -0.06 0.83 -1.87 0.66 -2.27 0.00 0.00 179.45 176.73 1ycz n TYR 83 N -4.46 0.03 -3.99 1.91 4.02 -0.22 -5.02 117.16 109.43 1ycz n TYR 83 Ca -0.06 0.01 -0.39 0.00 -0.01 0.00 0.00 57.90 57.45 1ycz n TYR 83 Cb 0.41 -0.47 0.01 0.00 -0.02 0.00 0.00 39.34 39.28 1ycz n TYR 83 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1ycz n ARG 84 N -2.20 -0.53 -2.02 -0.72 5.12 0.70 -4.83 116.66 112.17 1ycz n ARG 84 Ca -0.03 0.17 -0.35 0.00 -1.93 0.00 0.00 57.85 55.71 1ycz n ARG 84 Cb 0.55 -2.14 0.03 0.00 -1.16 0.00 0.00 32.46 29.73 1ycz n ARG 84 CO 0.00 0.00 0.00 -2.14 -1.93 0.00 0.00 177.63 173.56 1ycz s PRO 85 N -6.72 3.04 0.27 5.56 0.02 -1.26 -4.89 135.00 131.01 1ycz s PRO 85 Ca 0.35 1.64 -0.06 0.00 0.02 0.00 0.00 61.00 62.95 1ycz s PRO 85 Cb -0.20 -1.96 0.50 0.00 0.02 0.00 0.00 34.50 32.87 1ycz s PRO 85 CO 0.89 -1.11 1.60 -0.22 -0.33 0.00 0.00 177.00 177.83 1ycz h LYS 86 N 0.76 0.05 -0.10 5.54 3.64 -1.71 -1.08 116.57 123.66 1ycz h LYS 86 Ca -0.49 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1ycz h LYS 86 Cb 1.27 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 1ycz h LYS 86 CO 0.55 0.03 0.00 0.66 -2.27 0.00 0.00 179.45 178.42 1ycz n TYR 87 N -5.45 0.11 -3.23 1.91 4.01 -0.03 -4.88 117.16 109.60 1ycz n TYR 87 Ca 0.16 -0.05 -0.39 0.00 -0.16 0.00 0.00 57.90 57.46 1ycz n TYR 87 Cb 0.54 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.51 1ycz n TYR 87 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1ycz s ASN 88 N -1.85 7.08 0.00 7.72 -0.87 -0.41 -5.00 114.94 121.62 1ycz s ASN 88 Ca 0.34 1.29 0.27 0.00 -1.57 0.00 0.00 52.86 53.19 1ycz s ASN 88 Cb 0.20 -2.38 0.88 0.00 -0.02 0.00 0.00 41.25 39.94 1ycz s ASN 88 CO 0.31 0.24 1.65 1.33 -2.57 0.00 0.00 177.10 178.06