#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cty n GLU -4 N 0.00 1.57 -3.66 -0.78 1.02 -1.26 -5.03 120.64 112.49 1cty n GLU -4 Ca 0.00 -2.63 -0.08 0.00 -0.02 0.00 0.00 57.16 54.44 1cty n GLU -4 Cb 0.00 -0.82 -0.09 0.00 -0.02 0.00 0.00 31.44 30.51 1cty n GLU -4 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1cty s PHE -3 N -2.27 -0.87 -0.20 -0.32 5.36 -1.26 -5.02 117.98 113.40 1cty s PHE -3 Ca 0.20 1.67 -0.07 0.00 -0.96 0.00 0.00 56.93 57.77 1cty s PHE -3 Cb 0.37 0.41 -0.03 0.00 -0.34 0.00 0.00 43.02 43.43 1cty s PHE -3 CO -0.07 -0.48 0.05 0.15 -1.46 0.00 0.00 175.22 173.40 1cty s LYS -2 N 2.27 3.82 0.44 10.12 1.02 -1.26 -5.10 119.74 131.05 1cty s LYS -2 Ca -0.05 -0.42 -0.26 0.00 0.02 0.00 0.00 55.97 55.27 1cty s LYS -2 Cb -0.10 -3.21 -0.08 0.00 -0.52 0.00 0.00 37.83 33.92 1cty s LYS -2 CO -0.15 0.11 1.39 0.00 -0.92 0.00 0.00 175.35 175.79 1cty s ALA -1 N 0.80 3.25 0.00 5.17 0.00 -1.26 -4.74 121.76 124.97 1cty s ALA -1 Ca 0.03 1.40 0.00 0.00 0.00 0.00 0.00 51.96 53.39 1cty s ALA -1 Cb -0.14 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.42 1cty s ALA -1 CO 0.02 -1.08 0.00 0.41 0.00 0.00 0.00 175.76 175.11 1cty n GLY 1 N 0.60 5.23 3.62 0.00 0.00 -1.26 -4.99 105.19 108.39 1cty n GLY 1 Ca 0.05 -1.55 -0.42 0.00 0.00 0.00 0.00 46.02 44.09 1cty n GLY 1 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1cty s SER 2 N 1.00 6.71 0.20 1.61 0.15 -1.26 -4.87 113.70 117.23 1cty s SER 2 Ca 0.00 0.73 -0.08 0.00 0.70 0.00 0.00 55.95 57.30 1cty s SER 2 Cb 0.00 -2.43 0.11 0.00 -1.71 0.00 0.00 66.02 61.99 1cty s SER 2 CO 0.00 -0.65 1.70 0.00 1.20 0.00 0.00 173.24 175.49 1cty h ALA 3 N 8.10 0.93 0.22 5.45 0.00 -1.89 -1.57 119.26 130.51 1cty h ALA 3 Ca -0.24 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 1cty h ALA 3 Cb 1.09 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1cty h ALA 3 CO 0.91 0.67 -0.26 0.87 0.00 0.00 0.00 179.25 181.44 1cty h LYS 4 N 1.07 -0.47 -0.47 0.00 1.57 -1.92 -0.72 116.57 115.63 1cty h LYS 4 Ca 0.22 0.03 0.10 0.00 -1.87 0.00 0.00 60.65 59.13 1cty h LYS 4 Cb 0.41 0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.80 1cty h LYS 4 CO 0.01 -0.31 0.32 -0.22 -0.57 0.00 0.00 179.45 178.68 1cty h LYS 5 N -0.49 0.18 -0.33 3.15 1.63 -1.92 0.44 116.57 119.22 1cty h LYS 5 Ca -0.03 -0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.73 1cty h LYS 5 Cb 0.43 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.01 1cty h LYS 5 CO -0.05 0.12 0.07 0.78 -3.45 0.00 0.00 179.45 176.92 1cty h GLY 6 N 0.18 0.58 0.91 5.01 0.00 -1.05 -1.43 103.07 107.28 1cty h GLY 6 Ca 0.22 -0.38 0.03 0.00 0.00 0.00 0.00 47.33 47.20 1cty h GLY 6 CO -0.03 0.35 0.53 0.00 0.00 0.00 0.00 176.54 177.38 1cty h ALA 7 N 0.91 1.06 0.00 3.60 0.00 0.59 0.18 119.26 125.60 1cty h ALA 7 Ca 0.10 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1cty h ALA 7 Cb 0.32 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1cty h ALA 7 CO 0.00 0.37 -0.57 1.79 0.00 0.00 0.00 179.25 180.85 1cty h THR 8 N 1.04 0.76 -0.15 0.00 1.35 -1.00 -2.92 112.91 111.99 1cty h THR 8 Ca 0.32 -2.10 -0.18 0.00 -0.55 0.00 0.00 66.41 63.90 1cty h THR 8 Cb -0.03 2.34 -0.00 0.00 -1.73 0.00 0.00 68.15 68.73 1cty h THR 8 CO -0.10 0.43 -0.66 0.25 -0.25 0.00 0.00 175.52 175.19 1cty h LEU 9 N 0.00 0.66 0.11 3.87 5.85 -0.70 -2.08 115.31 123.01 1cty h LEU 9 Ca -0.02 -0.40 -0.01 0.00 0.84 0.00 0.00 57.88 58.30 1cty h LEU 9 Cb 1.37 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.21 1cty h LEU 9 CO 0.06 1.14 -0.05 0.15 -0.34 0.00 0.00 178.44 179.40 1cty h PHE 10 N 0.41 -0.13 0.67 1.25 3.04 -0.98 1.99 116.94 123.20 1cty h PHE 10 Ca -0.02 -0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.90 1cty h PHE 10 Cb 1.24 0.04 0.00 0.00 2.56 0.00 0.00 35.95 39.80 1cty h PHE 10 CO 0.06 0.05 -0.36 0.87 -2.02 0.00 0.00 178.31 176.91 1cty h LYS 11 N -0.29 -0.92 -0.47 1.11 1.57 -1.51 3.37 116.57 119.43 1cty h LYS 11 Ca -0.01 0.06 0.05 0.00 -1.87 0.00 0.00 60.65 58.88 1cty h LYS 11 Cb 0.24 0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.73 1cty h LYS 11 CO 0.02 -0.61 0.31 1.79 -0.57 0.00 0.00 179.45 180.40 1cty h THR 12 N -0.95 1.00 0.00 -0.16 1.35 -1.31 -3.28 112.91 109.56 1cty h THR 12 Ca -0.09 -0.15 -0.02 0.00 -0.55 0.00 0.00 66.41 65.60 1cty h THR 12 Cb 0.75 0.52 -0.00 0.00 -1.73 0.00 0.00 68.15 67.68 1cty h THR 12 CO 0.12 0.08 -1.45 0.54 -0.25 0.00 0.00 175.52 174.57 1cty n ARG 13 N -4.48 0.54 0.00 4.72 1.74 0.67 -4.81 116.66 115.05 1cty n ARG 13 Ca 0.06 -0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1cty n ARG 13 Cb 0.21 -1.22 0.00 0.00 -1.02 0.00 0.00 32.46 30.43 1cty n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1cty h LEU 15 N 0.00 0.22 -1.90 0.00 5.85 -1.37 0.73 115.31 118.84 1cty h LEU 15 Ca 0.00 -0.27 0.24 0.00 0.84 0.00 0.00 57.88 58.69 1cty h LEU 15 Cb 0.62 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 1cty h LEU 15 CO 0.00 1.22 0.70 -0.61 -0.34 0.00 0.00 178.44 179.41 1cty h GLN 16 N 0.04 0.00 0.00 1.25 4.15 -1.86 -2.98 115.11 115.70 1cty h GLN 16 Ca -0.15 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.27 1cty h GLN 16 Cb 1.92 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.61 1cty h GLN 16 CO 0.15 0.00 0.00 0.00 -1.93 0.00 0.00 178.83 177.05 1cty s HIS 18 N -0.02 0.70 0.03 0.00 3.76 0.25 -0.88 115.29 119.13 1cty s HIS 18 Ca 0.00 -0.92 0.04 0.00 -0.15 0.00 0.00 55.06 54.03 1cty s HIS 18 Cb 0.00 -0.44 -0.02 0.00 1.11 0.00 0.00 32.58 33.23 1cty s HIS 18 CO 0.00 -0.23 -0.12 0.95 -0.85 0.00 0.00 174.74 174.49 1cty s THR 19 N -3.44 0.96 -0.12 1.30 -4.23 -1.26 -4.29 115.64 104.56 1cty s THR 19 Ca 0.07 -0.89 0.14 0.00 -1.18 0.00 0.00 61.69 59.83 1cty s THR 19 Cb 0.04 -0.88 -0.20 0.00 1.34 0.00 0.00 72.50 72.81 1cty s THR 19 CO -0.06 -0.01 0.12 1.33 -0.54 0.00 0.00 174.62 175.46 1cty n VAL 20 N 2.03 0.78 -1.64 2.29 0.24 -1.26 -2.11 118.33 118.67 1cty n VAL 20 Ca -0.18 -0.57 -0.46 0.00 -2.04 0.00 0.00 64.34 61.09 1cty n VAL 20 Cb 0.55 -0.43 -0.03 0.00 -1.47 0.00 0.00 33.84 32.45 1cty n VAL 20 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1cty n GLU 21 N -2.43 1.71 -2.14 7.34 4.71 -1.26 -3.60 120.64 124.96 1cty n GLU 21 Ca -0.19 0.61 -0.42 0.00 -0.01 0.00 0.00 57.16 57.14 1cty n GLU 21 Cb 0.85 -2.21 -0.03 0.00 -1.01 0.00 0.00 31.44 29.04 1cty n GLU 21 CO 0.00 0.00 0.00 0.21 0.09 0.00 0.00 177.13 177.43 1cty s LYS 22 N -0.32 4.24 0.00 3.49 2.47 -1.26 0.78 119.74 129.14 1cty s LYS 22 Ca 0.71 2.06 0.00 0.00 -1.56 0.00 0.00 55.97 57.18 1cty s LYS 22 Cb -0.73 -3.67 0.00 0.00 -1.46 0.00 0.00 37.83 31.97 1cty s LYS 22 CO 0.50 -0.67 0.00 0.41 0.16 0.00 0.00 175.35 175.75 1cty n GLY 23 N 3.80 0.70 3.76 5.54 0.00 -1.26 -5.02 105.19 112.71 1cty n GLY 23 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 1cty n GLY 23 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1cty s GLY 24 N -1.40 2.98 0.45 -0.02 0.00 0.23 -5.04 107.32 104.52 1cty s GLY 24 Ca 0.00 0.71 -0.07 0.00 0.00 0.00 0.00 44.72 45.36 1cty s GLY 24 CO 0.00 1.24 0.78 2.56 0.00 0.00 0.00 173.10 177.69 1cty s PRO 25 N -1.66 3.64 0.56 2.90 0.04 -1.26 -4.81 135.00 134.41 1cty s PRO 25 Ca 0.47 0.32 -0.15 0.00 0.04 0.00 0.00 61.00 61.68 1cty s PRO 25 Cb -0.26 -2.38 -0.06 0.00 0.04 0.00 0.00 34.50 31.84 1cty s PRO 25 CO 0.33 -0.14 1.01 -1.01 0.04 0.00 0.00 177.00 177.23 1cty s HIS 26 N -2.59 3.39 0.00 0.56 3.76 -1.26 -4.42 115.29 114.73 1cty s HIS 26 Ca 0.49 1.43 0.00 0.00 -0.15 0.00 0.00 55.06 56.83 1cty s HIS 26 Cb -0.10 -2.82 0.00 0.00 1.11 0.00 0.00 32.58 30.77 1cty s HIS 26 CO 0.39 -0.61 0.00 1.63 -0.85 0.00 0.00 174.74 175.30 1cty n LYS 27 N -2.00 0.09 0.41 1.40 5.02 -1.26 -4.99 118.16 116.84 1cty n LYS 27 Ca 0.07 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.20 1cty n LYS 27 Cb 0.54 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.47 1cty n LYS 27 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1cty h VAL 28 N 0.00 0.00 -2.95 -0.18 2.07 -1.86 -3.41 116.25 109.91 1cty h VAL 28 Ca 0.00 -0.10 -0.46 0.00 0.82 0.00 0.00 66.70 66.96 1cty h VAL 28 Cb 0.00 0.00 0.11 0.00 -1.52 0.00 0.00 31.29 29.88 1cty h VAL 28 CO 0.00 0.00 0.22 -0.83 0.02 0.00 0.00 177.57 176.98 1cty s GLY 29 N -2.04 1.76 0.70 2.17 0.00 -0.06 -5.07 107.32 104.78 1cty s GLY 29 Ca -0.16 -1.45 -0.05 0.00 0.00 0.00 0.00 44.72 43.07 1cty s GLY 29 CO 0.47 -0.85 0.99 -4.14 0.00 0.00 0.00 173.10 169.57 1cty s PRO 30 N -5.37 1.98 -0.14 2.90 0.02 -1.26 -4.73 135.00 128.40 1cty s PRO 30 Ca 0.68 -0.59 -0.29 0.00 0.02 0.00 0.00 61.00 60.82 1cty s PRO 30 Cb -0.06 -2.24 -0.01 0.00 0.02 0.00 0.00 34.50 32.22 1cty s PRO 30 CO 0.47 -1.30 1.01 1.21 -0.33 0.00 0.00 177.00 178.06 1cty s ASN 31 N -4.59 7.20 0.00 2.53 3.84 -1.26 -4.36 114.94 118.29 1cty s ASN 31 Ca 0.62 1.48 0.26 0.00 0.21 0.00 0.00 52.86 55.43 1cty s ASN 31 Cb -0.09 -2.55 1.03 0.00 -0.55 0.00 0.00 41.25 39.10 1cty s ASN 31 CO 0.44 -0.50 1.72 0.18 -2.79 0.00 0.00 177.10 176.15 1cty n LEU 32 N 5.35 1.36 -4.68 3.21 4.77 -0.89 -4.93 117.00 121.18 1cty n LEU 32 Ca 0.09 -0.50 -0.49 0.00 -0.03 0.00 0.00 56.01 55.09 1cty n LEU 32 Cb 0.48 -0.03 -0.05 0.00 -2.33 0.00 0.00 43.42 41.49 1cty n LEU 32 CO 0.52 0.25 1.48 1.57 -1.33 0.00 0.00 177.39 179.87 1cty n HIS 33 N 0.08 2.31 -3.18 -1.77 -0.00 -1.24 -2.35 115.22 109.07 1cty n HIS 33 Ca 0.18 0.03 -0.15 0.00 0.46 0.00 0.00 57.72 58.25 1cty n HIS 33 Cb 0.31 -2.65 0.07 0.00 -0.12 0.00 0.00 29.99 27.60 1cty n HIS 33 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1cty n GLY 34 N 4.37 -0.19 0.07 1.57 0.00 -0.75 -4.97 105.19 105.29 1cty n GLY 34 Ca 0.23 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 46.11 1cty n GLY 34 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1cty h ILE 35 N -1.66 1.34 -3.58 -0.61 6.09 -1.72 -3.43 117.51 113.94 1cty h ILE 35 Ca -0.45 -1.04 -0.57 0.00 -1.37 0.00 0.00 64.86 61.44 1cty h ILE 35 Cb 1.27 1.95 0.14 0.00 0.47 0.00 0.00 36.82 40.66 1cty h ILE 35 CO 0.40 0.28 0.34 0.49 -3.07 0.00 0.00 178.15 176.59 1cty n PHE 36 N -4.82 1.58 -0.86 2.19 3.72 -1.24 -0.69 117.46 117.34 1cty n PHE 36 Ca -0.08 0.47 0.00 0.00 -0.05 0.00 0.00 57.45 57.80 1cty n PHE 36 Cb 0.24 -2.27 0.00 0.00 -0.94 0.00 0.00 39.48 36.51 1cty n PHE 36 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1cty n GLY 37 N 1.02 0.34 3.82 1.37 0.00 0.22 -4.90 105.19 107.05 1cty n GLY 37 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 1cty n GLY 37 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1cty s ARG 38 N -0.83 3.22 0.75 1.61 3.00 0.14 -4.77 118.95 122.06 1cty s ARG 38 Ca 0.00 -0.38 -0.11 0.00 -1.00 0.00 0.00 55.73 54.24 1cty s ARG 38 Cb 0.00 -2.97 0.05 0.00 0.00 0.00 0.00 34.95 32.03 1cty s ARG 38 CO 0.00 0.68 1.12 -1.01 0.00 0.00 0.00 175.30 176.09 1cty s HIS 39 N -1.19 3.12 0.63 5.12 3.76 -1.25 0.25 115.29 125.73 1cty s HIS 39 Ca 0.22 0.84 -0.10 0.00 -0.15 0.00 0.00 55.06 55.87 1cty s HIS 39 Cb -0.12 -3.26 -0.02 0.00 1.11 0.00 0.00 32.58 30.29 1cty s HIS 39 CO 0.13 -1.46 1.02 -1.54 -0.85 0.00 0.00 174.74 172.04 1cty s SER 40 N -4.47 5.96 -1.46 1.40 1.04 0.11 -4.19 113.70 112.10 1cty s SER 40 Ca 0.60 1.24 -0.08 0.00 0.48 0.00 0.00 55.95 58.18 1cty s SER 40 Cb -0.11 -2.24 0.03 0.00 0.10 0.00 0.00 66.02 63.80 1cty s SER 40 CO 0.50 -0.99 0.88 0.61 0.98 0.00 0.00 173.24 175.22 1cty n GLY 41 N -2.76 -0.53 0.17 7.32 0.00 -1.26 -4.76 105.19 103.37 1cty n GLY 41 Ca 0.06 0.19 0.02 0.00 0.00 0.00 0.00 46.02 46.28 1cty n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1cty n GLN 42 N -4.50 0.01 -2.77 1.61 1.13 -1.26 -4.89 117.38 106.71 1cty n GLN 42 Ca -0.03 -0.86 -0.42 0.00 -1.94 0.00 0.00 57.00 53.75 1cty n GLN 42 Cb 0.57 -1.08 -0.03 0.00 0.11 0.00 0.00 30.24 29.81 1cty n GLN 42 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1cty s ALA 43 N -0.42 3.43 0.55 -1.58 0.00 -1.26 -5.02 121.76 117.45 1cty s ALA 43 Ca 0.05 0.26 -0.11 0.00 0.00 0.00 0.00 51.96 52.16 1cty s ALA 43 Cb 0.03 -3.34 -0.05 0.00 0.00 0.00 0.00 23.12 19.76 1cty s ALA 43 CO 0.05 -0.58 0.94 -1.83 0.00 0.00 0.00 175.76 174.34 1cty s GLU 44 N 1.97 3.68 0.00 0.00 -1.05 -1.26 -3.26 118.70 118.78 1cty s GLU 44 Ca 0.45 0.66 0.00 0.00 -0.15 0.00 0.00 54.97 55.93 1cty s GLU 44 Cb -0.18 -2.18 0.00 0.00 -0.44 0.00 0.00 34.13 31.33 1cty s GLU 44 CO 0.16 -0.38 0.00 0.41 0.95 0.00 0.00 175.26 176.41 1cty n GLY 45 N -2.24 1.70 3.20 -3.83 0.00 -1.26 -4.98 105.19 97.78 1cty n GLY 45 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 1cty n GLY 45 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1cty s TYR 46 N -2.95 2.42 -1.20 1.61 5.04 -1.20 -5.08 117.35 115.98 1cty s TYR 46 Ca 0.00 -0.98 -0.10 0.00 -2.44 0.00 0.00 57.07 53.54 1cty s TYR 46 Cb 0.00 -1.63 0.21 0.00 0.35 0.00 0.00 41.96 40.89 1cty s TYR 46 CO 0.00 -0.40 1.51 0.43 -1.34 0.00 0.00 175.55 175.75 1cty n SER 47 N 3.55 5.41 -4.82 4.32 7.64 -1.26 -4.86 113.62 123.60 1cty n SER 47 Ca -0.19 -3.09 -0.30 0.00 1.01 0.00 0.00 58.87 56.30 1cty n SER 47 Cb 0.53 -1.47 0.09 0.00 -1.01 0.00 0.00 64.21 62.35 1cty n SER 47 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1cty s TYR 48 N 0.09 2.88 1.17 1.43 2.02 -1.26 -5.04 117.35 118.64 1cty s TYR 48 Ca 0.38 1.05 -0.17 0.00 -0.37 0.00 0.00 57.07 57.96 1cty s TYR 48 Cb 0.00 -3.18 0.27 0.00 -0.40 0.00 0.00 41.96 38.65 1cty s TYR 48 CO 0.00 -1.75 1.08 0.95 -1.57 0.00 0.00 175.55 174.26 1cty s THR 49 N -3.25 1.70 0.08 -0.71 -4.23 -1.26 -4.92 115.64 103.06 1cty s THR 49 Ca 0.61 0.00 0.10 0.00 -1.18 0.00 0.00 61.69 61.22 1cty s THR 49 Cb -0.14 -2.43 -0.10 0.00 1.34 0.00 0.00 72.50 71.18 1cty s THR 49 CO 0.53 0.00 1.39 0.44 -0.54 0.00 0.00 174.62 176.44 1cty h ASP 50 N -2.48 0.00 -0.41 3.99 3.45 -1.96 -3.27 116.42 115.73 1cty h ASP 50 Ca -0.49 0.00 0.06 0.00 0.43 0.00 0.00 57.03 57.03 1cty h ASP 50 Cb 1.31 0.00 -0.05 0.00 -0.56 0.00 0.00 39.33 40.03 1cty h ASP 50 CO 0.41 0.79 0.10 0.00 -1.57 0.00 0.00 179.24 178.98 1cty h ALA 51 N 1.21 0.46 -0.20 3.45 0.00 -1.87 -2.71 119.26 119.59 1cty h ALA 51 Ca -0.01 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1cty h ALA 51 Cb 1.53 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 1cty h ALA 51 CO 0.10 -0.30 -0.00 -0.97 0.00 0.00 0.00 179.25 178.08 1cty h ASN 52 N 0.24 0.34 -0.08 0.00 -1.24 -1.89 -2.25 115.58 110.70 1cty h ASN 52 Ca 0.20 -0.31 0.00 0.00 0.71 0.00 0.00 56.30 56.90 1cty h ASN 52 Cb 0.23 -0.09 -0.01 0.00 0.73 0.00 0.00 38.32 39.18 1cty h ASN 52 CO -0.24 0.57 0.04 0.40 -1.29 0.00 0.00 177.43 176.91 1cty h ILE 53 N 0.10 1.00 -0.32 2.57 1.08 -1.55 -3.16 117.51 117.23 1cty h ILE 53 Ca 0.05 -0.03 0.02 0.00 -0.39 0.00 0.00 64.86 64.52 1cty h ILE 53 Cb 0.40 0.91 -0.03 0.00 -3.07 0.00 0.00 36.82 35.03 1cty h ILE 53 CO 0.01 0.02 0.16 0.11 -0.69 0.00 0.00 178.15 177.75 1cty h LYS 54 N 0.09 0.32 -0.93 2.37 6.56 -1.56 -3.06 116.57 120.36 1cty h LYS 54 Ca 0.03 -0.02 0.22 0.00 -1.06 0.00 0.00 60.65 59.82 1cty h LYS 54 Cb 0.00 -0.07 -0.17 0.00 -0.57 0.00 0.00 32.23 31.41 1cty h LYS 54 CO -0.02 0.21 -0.12 1.17 -2.06 0.00 0.00 179.45 178.63 1cty n LYS 55 N -4.95 -0.08 -4.15 3.15 0.00 -0.85 -4.83 118.16 106.45 1cty n LYS 55 Ca -0.00 1.42 -0.30 0.00 0.00 0.00 0.00 58.31 59.43 1cty n LYS 55 Cb 0.08 -2.18 -0.05 0.00 0.00 0.00 0.00 35.03 32.87 1cty n LYS 55 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1cty n ASN 56 N -5.45 -0.33 -4.77 3.14 4.05 -1.16 -4.95 115.26 105.79 1cty n ASN 56 Ca 0.18 -1.12 -0.38 0.00 0.45 0.00 0.00 54.58 53.71 1cty n ASN 56 Cb 0.57 -2.41 -0.02 0.00 1.23 0.00 0.00 39.78 39.14 1cty n ASN 56 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1cty s VAL 57 N -3.98 3.28 -0.22 3.44 1.01 -1.26 -4.62 120.40 118.05 1cty s VAL 57 Ca 0.15 1.06 -0.12 0.00 0.00 0.00 0.00 61.98 63.07 1cty s VAL 57 Cb -0.08 -3.58 -0.05 0.00 0.00 0.00 0.00 36.38 32.67 1cty s VAL 57 CO 0.94 0.08 0.21 -0.22 0.00 0.00 0.00 175.10 176.11 1cty s LEU 58 N -2.50 4.15 -0.88 3.92 1.98 -1.26 0.07 118.68 124.16 1cty s LEU 58 Ca 0.57 0.25 -0.24 0.00 -2.89 0.00 0.00 54.13 51.82 1cty s LEU 58 Cb -0.29 -2.20 0.05 0.00 0.66 0.00 0.00 46.19 44.41 1cty s LEU 58 CO 0.36 0.06 1.32 0.26 -1.89 0.00 0.00 176.35 176.47 1cty s TRP 59 N 0.92 2.50 0.12 5.38 0.23 0.70 -4.80 118.94 123.99 1cty s TRP 59 Ca 0.11 -0.58 0.10 0.00 -2.03 0.00 0.00 56.10 53.69 1cty s TRP 59 Cb -0.13 -4.61 -0.04 0.00 0.03 0.00 0.00 33.47 28.72 1cty s TRP 59 CO 0.04 -1.93 -0.21 0.16 0.96 0.00 0.00 176.95 175.97 1cty s ASP 60 N 4.32 3.69 0.41 2.95 1.47 -1.26 0.69 116.67 128.93 1cty s ASP 60 Ca 0.39 -0.62 0.24 0.00 1.18 0.00 0.00 52.55 53.73 1cty s ASP 60 Cb -0.05 -0.43 1.27 0.00 -0.34 0.00 0.00 42.92 43.37 1cty s ASP 60 CO 0.01 0.18 1.67 1.05 0.68 0.00 0.00 175.17 178.75 1cty h GLU 61 N 3.80 0.20 0.06 2.11 4.11 -1.98 0.13 114.58 123.02 1cty h GLU 61 Ca -0.50 -0.01 -0.26 0.00 0.07 0.00 0.00 59.36 58.65 1cty h GLU 61 Cb 1.17 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 30.39 1cty h GLU 61 CO 0.44 0.13 -1.10 -0.91 0.07 0.00 0.00 179.01 177.64 1cty h ASN 62 N 0.21 0.69 0.11 3.06 4.21 -1.96 -3.15 115.58 118.76 1cty h ASN 62 Ca 0.74 -0.61 -0.01 0.00 1.21 0.00 0.00 56.30 57.64 1cty h ASN 62 Cb 2.10 -0.22 0.00 0.00 -1.12 0.00 0.00 38.32 39.09 1cty h ASN 62 CO -0.44 1.42 -0.05 -1.13 -1.29 0.00 0.00 177.43 175.94 1cty h ASN 63 N 0.25 -0.12 -1.04 5.81 -0.73 -1.34 -2.95 115.58 115.45 1cty h ASN 63 Ca -0.13 -0.21 0.30 0.00 1.87 0.00 0.00 56.30 58.13 1cty h ASN 63 Cb 1.77 0.03 -0.04 0.00 0.27 0.00 0.00 38.32 40.34 1cty h ASN 63 CO 0.20 0.14 0.75 -0.03 -0.37 0.00 0.00 177.43 178.12 1cty h MET 64 N -0.40 0.02 0.06 6.67 4.05 -1.30 0.20 114.93 124.23 1cty h MET 64 Ca -0.01 -0.00 -0.22 0.00 -0.28 0.00 0.00 59.70 59.19 1cty h MET 64 Cb 0.33 -0.00 0.02 0.00 -0.80 0.00 0.00 31.60 31.14 1cty h MET 64 CO 0.02 0.01 -0.89 1.03 0.23 0.00 0.00 176.91 177.32 1cty h SER 65 N 0.02 0.68 0.84 1.39 0.87 -1.47 0.02 113.55 115.90 1cty h SER 65 Ca 0.50 -0.81 -0.04 0.00 -1.23 0.00 0.00 61.79 60.21 1cty h SER 65 Cb 1.96 -0.21 0.01 0.00 -0.44 0.00 0.00 62.40 63.72 1cty h SER 65 CO -0.02 1.41 -0.40 -0.08 -0.53 0.00 0.00 176.83 177.21 1cty h GLU 66 N 0.04 -1.08 -0.37 2.24 4.81 -1.21 0.46 114.58 119.47 1cty h GLU 66 Ca -0.13 0.07 0.08 0.00 -0.13 0.00 0.00 59.36 59.25 1cty h GLU 66 Cb 1.60 0.25 -0.08 0.00 0.63 0.00 0.00 28.75 31.15 1cty h GLU 66 CO 0.17 -0.72 -0.14 0.35 -0.73 0.00 0.00 179.01 177.94 1cty h PHE 67 N -1.21 -0.33 -0.93 0.92 3.04 -0.77 0.53 116.94 118.19 1cty h PHE 67 Ca -0.11 0.04 0.19 0.00 3.98 0.00 0.00 57.97 62.06 1cty h PHE 67 Cb 0.86 0.20 -0.08 0.00 2.56 0.00 0.00 35.95 39.50 1cty h PHE 67 CO 0.02 -0.22 0.60 -0.07 -2.02 0.00 0.00 178.31 176.62 1cty h LEU 68 N -0.07 0.56 -0.30 0.59 3.38 -0.79 -1.48 115.31 117.20 1cty h LEU 68 Ca 0.18 0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.28 1cty h LEU 68 Cb 0.35 -0.05 -0.08 0.00 0.09 0.00 0.00 40.66 40.97 1cty h LEU 68 CO -0.42 0.23 -0.33 0.74 0.09 0.00 0.00 178.44 178.75 1cty h THR 69 N 0.56 0.25 -0.84 0.22 2.02 0.50 -3.09 112.91 112.53 1cty h THR 69 Ca 0.50 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.76 1cty h THR 69 Cb 1.01 0.25 -0.21 0.00 -1.74 0.00 0.00 68.15 67.47 1cty h THR 69 CO -0.24 0.00 -0.27 0.21 0.37 0.00 0.00 175.52 175.59 1cty s ASN 70 N -5.02 -1.33 0.00 4.18 3.84 -0.64 -3.91 114.94 112.05 1cty s ASN 70 Ca -0.15 0.28 0.00 0.00 0.21 0.00 0.00 52.86 53.20 1cty s ASN 70 Cb 0.12 1.90 0.00 0.00 -0.55 0.00 0.00 41.25 42.72 1cty s ASN 70 CO 0.67 -0.25 0.07 -2.65 -2.79 0.00 0.00 177.10 172.16 1cty n PRO 71 N 5.37 0.00 0.00 0.43 -0.02 -0.72 -0.48 135.00 139.58 1cty n PRO 71 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 1cty n PRO 71 Cb 0.54 -1.11 0.00 0.00 -0.02 0.00 0.00 33.50 32.92 1cty n PRO 71 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1cty n LYS 73 N -0.44 0.00 -0.01 -0.52 3.00 -1.26 0.34 118.16 119.27 1cty n LYS 73 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.18 1cty n LYS 73 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 34.94 1cty n LYS 73 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.40 176.48 1cty h TYR 74 N 0.00 0.04 -2.96 5.64 3.20 -1.11 -3.39 116.97 118.40 1cty h TYR 74 Ca 0.00 -0.01 -0.60 0.00 3.14 0.00 0.00 58.73 61.26 1cty h TYR 74 Cb 0.00 -0.01 -0.40 0.00 1.54 0.00 0.00 36.73 37.86 1cty h TYR 74 CO 0.00 0.48 -0.76 0.42 -1.64 0.00 0.00 178.16 176.66 1cty s ILE 75 N -4.38 1.12 0.14 1.81 1.01 1.02 -5.08 121.20 116.84 1cty s ILE 75 Ca -0.16 -2.22 -0.31 0.00 0.00 0.00 0.00 60.65 57.97 1cty s ILE 75 Cb 0.02 -1.80 -0.08 0.00 0.01 0.00 0.00 42.46 40.61 1cty s ILE 75 CO 0.68 -0.87 1.37 -2.84 0.00 0.00 0.00 174.94 173.29 1cty s PRO 76 N 0.69 4.33 0.00 2.79 0.02 -1.26 -2.70 135.00 138.87 1cty s PRO 76 Ca 0.16 2.08 0.00 0.00 0.02 0.00 0.00 61.00 63.26 1cty s PRO 76 Cb -0.23 -3.23 0.00 0.00 0.02 0.00 0.00 34.50 31.06 1cty s PRO 76 CO -0.04 -0.40 0.00 0.41 -0.33 0.00 0.00 177.00 176.65 1cty n GLY 77 N 3.19 1.85 3.61 0.52 0.00 -1.26 -4.78 105.19 108.32 1cty n GLY 77 Ca 0.10 -0.59 -0.47 0.00 0.00 0.00 0.00 46.02 45.06 1cty n GLY 77 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1cty n THR 78 N 0.00 0.98 0.33 2.61 5.66 -1.10 -4.82 114.28 117.93 1cty n THR 78 Ca 0.00 -0.24 0.15 0.00 -3.05 0.00 0.00 64.05 60.90 1cty n THR 78 Cb 0.00 -1.03 0.50 0.00 -1.55 0.00 0.00 70.33 68.25 1cty n THR 78 CO 0.00 0.00 0.00 0.07 -3.05 0.00 0.00 175.07 172.09 1cty h LYS 79 N 3.53 0.00 -6.40 1.09 2.10 -1.98 -3.45 116.57 111.45 1cty h LYS 79 Ca -0.43 0.00 -0.59 0.00 -2.00 0.00 0.00 60.65 57.63 1cty h LYS 79 Cb 1.32 0.00 0.04 0.00 -0.90 0.00 0.00 32.23 32.69 1cty h LYS 79 CO 0.71 0.00 0.98 -0.12 -2.00 0.00 0.00 179.45 179.02 1cty n MET 80 N -2.84 2.27 -3.07 0.07 1.56 -1.26 -4.89 117.12 108.96 1cty n MET 80 Ca 0.02 0.83 -0.44 0.00 -0.27 0.00 0.00 57.70 57.84 1cty n MET 80 Cb 0.35 -2.65 0.00 0.00 2.15 0.00 0.00 33.22 33.07 1cty n MET 80 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1cty n ALA 81 N 5.23 4.27 -3.65 -5.12 0.00 -1.26 -4.95 120.51 115.02 1cty n ALA 81 Ca 0.20 -4.48 -0.11 0.00 0.00 0.00 0.00 53.44 49.04 1cty n ALA 81 Cb 0.31 -2.73 -0.11 0.00 0.00 0.00 0.00 19.45 16.91 1cty n ALA 81 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1cty s PHE 82 N -0.15 -0.62 0.20 0.00 2.19 -1.26 -5.01 117.98 113.32 1cty s PHE 82 Ca 0.36 1.24 -0.12 0.00 0.33 0.00 0.00 56.93 58.75 1cty s PHE 82 Cb -0.04 0.13 0.26 0.00 -1.31 0.00 0.00 43.02 42.06 1cty s PHE 82 CO -0.02 -0.43 1.68 0.78 1.83 0.00 0.00 175.22 179.05 1cty h GLY 83 N 8.23 0.63 0.00 13.12 0.00 -1.95 -3.36 103.07 119.73 1cty h GLY 83 Ca -0.15 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.23 1cty h GLY 83 CO 0.13 -0.16 0.00 0.61 0.00 0.00 0.00 176.54 177.13 1cty n GLY 84 N -1.33 2.77 3.46 4.60 0.00 -1.26 -4.55 105.19 108.87 1cty n GLY 84 Ca 0.08 -1.80 -0.43 0.00 0.00 0.00 0.00 46.02 43.86 1cty n GLY 84 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1cty s LEU 85 N 0.00 4.43 0.27 0.99 1.43 -1.17 -4.96 118.68 119.67 1cty s LEU 85 Ca 0.00 -1.17 -0.01 0.00 -1.03 0.00 0.00 54.13 51.91 1cty s LEU 85 Cb 0.00 -2.42 0.47 0.00 0.03 0.00 0.00 46.19 44.27 1cty s LEU 85 CO 0.00 -1.39 1.83 0.07 0.23 0.00 0.00 176.35 177.09 1cty h LYS 86 N 9.46 0.93 -6.18 1.70 2.10 -1.90 -3.42 116.57 119.27 1cty h LYS 86 Ca -0.19 -0.06 -0.56 0.00 -2.00 0.00 0.00 60.65 57.84 1cty h LYS 86 Cb 1.06 -0.21 -0.05 0.00 -0.90 0.00 0.00 32.23 32.13 1cty h LYS 86 CO 1.18 0.61 0.07 0.15 -2.00 0.00 0.00 179.45 179.47 1cty s LYS 87 N -6.00 4.40 0.21 0.07 1.02 -1.26 -4.97 119.74 113.21 1cty s LYS 87 Ca -0.12 0.89 -0.05 0.00 0.02 0.00 0.00 55.97 56.71 1cty s LYS 87 Cb 0.21 -3.36 0.17 0.00 -0.52 0.00 0.00 37.83 34.34 1cty s LYS 87 CO 0.80 0.32 1.64 1.49 -0.92 0.00 0.00 175.35 178.68 1cty h GLU 88 N 5.68 0.85 -0.90 1.68 4.81 -1.98 -1.90 114.58 122.81 1cty h GLU 88 Ca -0.44 -0.31 0.11 0.00 -0.13 0.00 0.00 59.36 58.58 1cty h GLU 88 Cb 1.20 -0.05 -0.07 0.00 0.63 0.00 0.00 28.75 30.46 1cty h GLU 88 CO 0.70 0.94 0.58 0.87 -0.73 0.00 0.00 179.01 181.38 1cty h LYS 89 N 0.75 0.81 0.00 1.92 1.57 -1.97 0.78 116.57 120.44 1cty h LYS 89 Ca 0.12 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 1cty h LYS 89 Cb 0.67 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1cty h LYS 89 CO 0.05 0.54 -0.13 -0.44 -0.57 0.00 0.00 179.45 178.90 1cty h ASP 90 N 0.84 0.11 -0.31 0.86 3.45 -1.89 -2.69 116.42 116.79 1cty h ASP 90 Ca 0.43 -0.80 0.06 0.00 0.43 0.00 0.00 57.03 57.15 1cty h ASP 90 Cb 0.51 -0.03 -0.06 0.00 -0.56 0.00 0.00 39.33 39.19 1cty h ASP 90 CO -0.19 0.90 -0.08 0.03 -1.57 0.00 0.00 179.24 178.32 1cty h ARG 91 N -0.67 -0.00 -0.19 3.56 3.08 -0.73 -2.04 114.38 117.38 1cty h ARG 91 Ca -0.02 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 1cty h ARG 91 Cb 0.92 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.96 1cty h ARG 91 CO 0.02 -0.00 0.05 -0.91 -1.07 0.00 0.00 179.97 178.07 1cty h ASN 92 N -0.00 0.29 0.53 7.04 4.21 0.46 -0.88 115.58 127.23 1cty h ASN 92 Ca 0.15 -0.22 -0.02 0.00 1.21 0.00 0.00 56.30 57.43 1cty h ASN 92 Cb 0.23 -0.08 -0.02 0.00 -1.12 0.00 0.00 38.32 37.34 1cty h ASN 92 CO -0.32 0.43 -0.47 0.44 -1.29 0.00 0.00 177.43 176.22 1cty h ASP 93 N 0.14 -1.28 -0.23 5.81 3.32 -1.28 -0.96 116.42 121.94 1cty h ASP 93 Ca 0.06 0.10 0.05 0.00 0.02 0.00 0.00 57.03 57.26 1cty h ASP 93 Cb 0.25 0.41 -0.06 0.00 0.22 0.00 0.00 39.33 40.15 1cty h ASP 93 CO -0.00 -0.64 -0.13 0.25 -1.72 0.00 0.00 179.24 177.00 1cty h LEU 94 N -0.98 -0.43 -1.99 1.55 5.85 -1.40 0.49 115.31 118.39 1cty h LEU 94 Ca -0.07 0.10 0.19 0.00 0.84 0.00 0.00 57.88 58.94 1cty h LEU 94 Cb 0.84 0.23 -0.03 0.00 0.37 0.00 0.00 40.66 42.07 1cty h LEU 94 CO -0.03 -0.16 0.50 0.40 -0.34 0.00 0.00 178.44 178.81 1cty h ILE 95 N -0.11 0.57 -0.52 4.05 2.04 -1.04 1.46 117.51 123.97 1cty h ILE 95 Ca 0.13 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.93 1cty h ILE 95 Cb 0.30 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 1cty h ILE 95 CO -0.30 0.00 0.08 0.74 0.00 0.00 0.00 178.15 178.67 1cty h THR 96 N 0.00 1.25 0.08 -0.27 2.02 0.13 -0.59 112.91 115.54 1cty h THR 96 Ca 0.30 -0.95 -0.00 0.00 0.77 0.00 0.00 66.41 66.53 1cty h THR 96 Cb 1.30 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 68.58 1cty h THR 96 CO -0.00 0.34 -0.04 0.22 0.37 0.00 0.00 175.52 176.41 1cty h TYR 97 N 0.74 -0.10 -0.49 3.16 3.20 0.32 -2.04 116.97 121.76 1cty h TYR 97 Ca 0.16 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.05 1cty h TYR 97 Cb 0.41 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.68 1cty h TYR 97 CO 0.03 0.08 0.28 -0.07 -1.64 0.00 0.00 178.16 176.84 1cty h LEU 98 N -0.27 0.46 0.18 2.82 3.38 -0.51 0.59 115.31 121.96 1cty h LEU 98 Ca -0.01 0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1cty h LEU 98 Cb 0.23 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 1cty h LEU 98 CO 0.02 0.32 -0.49 0.50 0.09 0.00 0.00 178.44 178.88 1cty h LYS 99 N 0.57 -0.73 0.37 1.13 3.64 -0.98 1.98 116.57 122.56 1cty h LYS 99 Ca 0.20 0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.61 1cty h LYS 99 Cb 0.03 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1cty h LYS 99 CO -0.10 -0.48 -0.18 0.87 -2.27 0.00 0.00 179.45 177.29 1cty h LYS 100 N -0.75 -0.48 -0.64 1.90 1.79 -1.20 -3.23 116.57 113.95 1cty h LYS 100 Ca -0.02 0.03 0.19 0.00 -2.18 0.00 0.00 60.65 58.67 1cty h LYS 100 Cb 0.73 0.11 -0.03 0.00 -1.58 0.00 0.00 32.23 31.47 1cty h LYS 100 CO -0.23 -0.32 0.49 0.00 -1.08 0.00 0.00 179.45 178.31 1cty h ALA 101 N -1.76 2.57 -0.37 3.86 0.00 -0.80 0.32 119.26 123.08 1cty h ALA 101 Ca -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1cty h ALA 101 Cb 0.38 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1cty h ALA 101 CO 0.08 -0.82 0.00 0.25 0.00 0.00 0.00 179.25 178.77 1cty n THR 102 N -4.24 0.57 1.72 0.00 -2.24 0.67 -4.77 114.28 105.99 1cty n THR 102 Ca 0.13 -0.52 0.15 0.00 -2.27 0.00 0.00 64.05 61.54 1cty n THR 102 Cb 0.74 0.20 0.71 0.00 -2.10 0.00 0.00 70.33 69.88 1cty n THR 102 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71