#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gi5 s GLN 2 N 0.00 3.81 -0.11 0.54 0.74 -1.26 -5.10 119.66 118.29 3gi5 s GLN 2 Ca 0.00 0.17 0.01 0.00 0.05 0.00 0.00 55.36 55.58 3gi5 s GLN 2 Cb 0.00 -3.25 0.02 0.00 1.10 0.00 0.00 33.01 30.88 3gi5 s GLN 2 CO 0.00 0.64 -0.11 0.42 -0.55 0.00 0.00 175.29 175.69 3gi5 s ILE 3 N -0.77 1.22 0.67 -2.34 1.01 -1.26 -5.14 121.20 114.59 3gi5 s ILE 3 Ca 0.19 -0.45 -0.04 0.00 0.00 0.00 0.00 60.65 60.36 3gi5 s ILE 3 Cb -0.14 -1.17 0.07 0.00 0.01 0.00 0.00 42.46 41.22 3gi5 s ILE 3 CO 0.08 0.39 0.95 0.42 0.00 0.00 0.00 174.94 176.78 3gi5 s THR 4 N 1.34 2.37 -0.13 2.92 -4.23 -1.26 -5.04 115.64 111.60 3gi5 s THR 4 Ca -0.01 -0.42 0.16 0.00 -1.18 0.00 0.00 61.69 60.24 3gi5 s THR 4 Cb -0.14 -2.95 0.30 0.00 1.34 0.00 0.00 72.50 71.05 3gi5 s THR 4 CO -0.05 0.00 1.15 0.18 -0.54 0.00 0.00 174.62 175.36 3gi5 n LEU 5 N -2.76 2.24 0.25 4.79 4.77 -1.26 -4.50 117.00 120.52 3gi5 n LEU 5 Ca 0.09 -3.09 0.15 0.00 -0.03 0.00 0.00 56.01 53.13 3gi5 n LEU 5 Cb 0.60 -0.41 0.51 0.00 -2.33 0.00 0.00 43.42 41.78 3gi5 n LEU 5 CO 0.48 0.81 0.93 -0.50 -1.33 0.00 0.00 177.39 177.79 3gi5 h TRP 6 N 0.22 0.00 -2.54 -1.77 6.55 -2.07 -3.44 115.95 112.90 3gi5 h TRP 6 Ca -0.00 0.00 -0.56 0.00 0.95 0.00 0.00 58.89 59.28 3gi5 h TRP 6 Cb 1.04 0.00 -0.15 0.00 -0.86 0.00 0.00 29.16 29.20 3gi5 h TRP 6 CO 0.16 0.00 -0.76 0.15 -1.05 0.00 0.00 178.44 176.94 3gi5 s LYS 7 N -3.49 1.54 0.19 0.49 -0.14 -1.26 -5.11 119.74 111.95 3gi5 s LYS 7 Ca 0.03 -1.68 -0.33 0.00 -1.36 0.00 0.00 55.97 52.64 3gi5 s LYS 7 Cb 0.08 -1.56 -0.13 0.00 -1.68 0.00 0.00 37.83 34.54 3gi5 s LYS 7 CO 0.58 0.29 1.64 0.54 -0.76 0.00 0.00 175.35 177.64 3gi5 n ARG 8 N -0.43 2.48 -1.35 1.68 1.74 -1.26 -4.86 116.66 114.66 3gi5 n ARG 8 Ca -0.07 0.89 -0.40 0.00 -0.77 0.00 0.00 57.85 57.50 3gi5 n ARG 8 Cb 0.60 -2.70 -0.03 0.00 -1.02 0.00 0.00 32.46 29.31 3gi5 n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3gi5 n PRO 9 N 3.58 2.26 -3.13 5.56 -0.04 -1.26 -4.92 135.00 137.05 3gi5 n PRO 9 Ca 0.16 -2.13 -0.39 0.00 -0.04 0.00 0.00 63.50 61.10 3gi5 n PRO 9 Cb 0.32 -3.01 -0.06 0.00 -0.04 0.00 0.00 33.50 30.72 3gi5 n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3gi5 s LEU 10 N 1.38 4.46 0.12 1.53 1.43 -1.26 -1.51 118.68 124.83 3gi5 s LEU 10 Ca 0.52 1.31 0.03 0.00 -1.03 0.00 0.00 54.13 54.96 3gi5 s LEU 10 Cb 0.14 -3.05 -0.04 0.00 0.03 0.00 0.00 46.19 43.27 3gi5 s LEU 10 CO 0.01 0.11 -0.07 0.68 0.23 0.00 0.00 176.35 177.31 3gi5 s VAL 11 N -0.37 0.85 -0.01 -1.59 -7.23 0.24 -4.94 120.40 107.35 3gi5 s VAL 11 Ca 0.33 -1.98 -0.23 0.00 -1.81 0.00 0.00 61.98 58.29 3gi5 s VAL 11 Cb -0.20 -1.80 -0.05 0.00 0.56 0.00 0.00 36.38 34.90 3gi5 s VAL 11 CO 0.20 -0.78 0.69 -0.89 -0.31 0.00 0.00 175.10 174.01 3gi5 s THR 12 N -3.53 4.90 0.19 5.32 2.01 -1.26 -0.84 115.64 122.43 3gi5 s THR 12 Ca 0.15 1.45 0.11 0.00 0.31 0.00 0.00 61.69 63.70 3gi5 s THR 12 Cb 0.05 -4.03 -0.04 0.00 0.01 0.00 0.00 72.50 68.48 3gi5 s THR 12 CO -0.02 0.34 -0.19 0.27 -0.69 0.00 0.00 174.62 174.33 3gi5 s ILE 13 N 0.22 2.63 -0.17 1.82 -4.36 0.34 -1.96 121.20 119.72 3gi5 s ILE 13 Ca 0.36 -1.93 0.01 0.00 -0.26 0.00 0.00 60.65 58.83 3gi5 s ILE 13 Cb -0.19 -2.28 0.01 0.00 1.25 0.00 0.00 42.46 41.25 3gi5 s ILE 13 CO 0.19 -0.13 -0.18 -0.60 0.24 0.00 0.00 174.94 174.47 3gi5 s ARG 14 N -2.75 3.08 -0.08 0.37 3.52 -0.05 -1.61 118.95 121.43 3gi5 s ARG 14 Ca 0.22 -0.80 -0.03 0.00 -0.13 0.00 0.00 55.73 54.99 3gi5 s ARG 14 Cb -0.08 -2.58 0.05 0.00 -1.56 0.00 0.00 34.95 30.77 3gi5 s ARG 14 CO 0.12 -0.11 0.16 -1.50 -0.81 0.00 0.00 175.30 173.16 3gi5 s ILE 15 N 1.07 -0.21 -1.71 4.11 2.07 -0.15 -1.52 121.20 124.86 3gi5 s ILE 15 Ca -0.01 0.31 -0.01 0.00 -1.41 0.00 0.00 60.65 59.53 3gi5 s ILE 15 Cb -0.14 -0.28 0.00 0.00 0.13 0.00 0.00 42.46 42.16 3gi5 s ILE 15 CO -0.06 0.13 0.17 0.61 -1.91 0.00 0.00 174.94 173.88 3gi5 n GLY 16 N 5.01 -0.49 2.68 1.50 0.00 -1.26 -1.04 105.19 111.58 3gi5 n GLY 16 Ca -0.11 0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3gi5 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gi5 n GLY 17 N -1.16 0.50 3.73 -0.02 0.00 -1.26 -5.01 105.19 101.96 3gi5 n GLY 17 Ca -0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 3gi5 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gi5 s GLN 18 N -0.45 3.19 -0.19 1.61 -1.52 -0.21 -5.10 119.66 117.00 3gi5 s GLN 18 Ca 0.00 -0.33 -0.12 0.00 -1.95 0.00 0.00 55.36 52.95 3gi5 s GLN 18 Cb 0.00 -2.93 -0.05 0.00 -0.22 0.00 0.00 33.01 29.81 3gi5 s GLN 18 CO 0.00 0.68 0.24 -0.51 -0.25 0.00 0.00 175.29 175.45 3gi5 s LEU 19 N -0.81 4.21 0.13 2.90 1.43 -1.26 -0.98 118.68 124.30 3gi5 s LEU 19 Ca 0.13 0.37 0.03 0.00 -1.03 0.00 0.00 54.13 53.63 3gi5 s LEU 19 Cb -0.12 -2.27 -0.04 0.00 0.03 0.00 0.00 46.19 43.80 3gi5 s LEU 19 CO 0.03 0.10 -0.09 -0.54 0.23 0.00 0.00 176.35 176.08 3gi5 s LYS 20 N 0.58 0.98 -0.06 1.70 1.02 -0.63 -4.98 119.74 118.34 3gi5 s LYS 20 Ca 0.13 -1.40 -0.12 0.00 0.02 0.00 0.00 55.97 54.60 3gi5 s LYS 20 Cb -0.13 -0.48 -0.05 0.00 -0.52 0.00 0.00 37.83 36.66 3gi5 s LYS 20 CO 0.02 0.04 0.29 -1.21 -0.92 0.00 0.00 175.35 173.58 3gi5 s GLU 21 N -3.75 3.76 0.02 1.68 0.41 -1.26 -0.51 118.70 119.05 3gi5 s GLU 21 Ca 0.15 0.17 -0.07 0.00 -0.41 0.00 0.00 54.97 54.81 3gi5 s GLU 21 Cb 0.03 -3.23 -0.00 0.00 -1.78 0.00 0.00 34.13 29.15 3gi5 s GLU 21 CO -0.01 0.69 0.12 0.00 -0.49 0.00 0.00 175.26 175.56 3gi5 s ALA 22 N -0.92 -0.23 -0.22 5.21 0.00 -0.02 -4.56 121.76 121.02 3gi5 s ALA 22 Ca 0.20 -0.30 -0.16 0.00 0.00 0.00 0.00 51.96 51.70 3gi5 s ALA 22 Cb -0.14 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 23.11 3gi5 s ALA 22 CO 0.09 -0.25 0.40 -1.17 0.00 0.00 0.00 175.76 174.83 3gi5 s LEU 23 N -1.67 4.12 -0.26 0.00 2.96 -0.12 -0.59 118.68 123.12 3gi5 s LEU 23 Ca -0.11 0.46 -0.29 0.00 -0.22 0.00 0.00 54.13 53.96 3gi5 s LEU 23 Cb -0.05 -2.50 -0.01 0.00 0.50 0.00 0.00 46.19 44.12 3gi5 s LEU 23 CO -0.01 -0.12 1.50 -0.76 -1.32 0.00 0.00 176.35 175.64 3gi5 s LEU 24 N 1.57 3.87 -0.45 -0.68 1.43 -0.57 -0.16 118.68 123.69 3gi5 s LEU 24 Ca 0.18 1.43 0.02 0.00 -1.03 0.00 0.00 54.13 54.74 3gi5 s LEU 24 Cb -0.15 -3.54 0.13 0.00 0.03 0.00 0.00 46.19 42.67 3gi5 s LEU 24 CO 0.08 -1.21 0.24 -0.62 0.23 0.00 0.00 176.35 175.07 3gi5 s ASP 25 N 3.75 3.82 0.56 2.29 -1.08 -0.47 -4.79 116.67 120.75 3gi5 s ASP 25 Ca 0.66 -2.68 0.34 0.00 -0.52 0.00 0.00 52.55 50.35 3gi5 s ASP 25 Cb -0.21 -1.17 1.54 0.00 -1.46 0.00 0.00 42.92 41.61 3gi5 s ASP 25 CO 0.27 -0.26 2.05 0.71 0.52 0.00 0.00 175.17 178.46 3gi5 h THR 26 N 5.35 0.10 -0.03 1.71 1.35 -1.93 -1.88 112.91 117.58 3gi5 h THR 26 Ca -0.03 -0.47 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 3gi5 h THR 26 Cb 0.92 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 68.77 3gi5 h THR 26 CO 0.53 0.03 0.00 0.61 -0.25 0.00 0.00 175.52 176.44 3gi5 n GLY 27 N -0.22 -0.72 3.40 5.82 0.00 -1.26 -4.77 105.19 107.43 3gi5 n GLY 27 Ca -0.00 -0.21 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 3gi5 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gi5 s ALA 28 N -1.97 3.04 0.22 4.61 0.00 -0.71 -4.99 121.76 121.96 3gi5 s ALA 28 Ca 0.35 -1.15 -0.09 0.00 0.00 0.00 0.00 51.96 51.07 3gi5 s ALA 28 Cb 0.17 -1.95 0.19 0.00 0.00 0.00 0.00 23.12 21.53 3gi5 s ALA 28 CO 0.28 -0.48 1.88 -0.44 0.00 0.00 0.00 175.76 177.00 3gi5 h ASP 29 N 8.20 0.87 -4.13 0.00 3.32 -1.86 0.15 116.42 122.97 3gi5 h ASP 29 Ca -0.39 -0.01 -0.66 0.00 0.02 0.00 0.00 57.03 55.98 3gi5 h ASP 29 Cb 1.17 -0.21 -0.24 0.00 0.22 0.00 0.00 39.33 40.27 3gi5 h ASP 29 CO 0.59 0.61 -0.87 -1.81 -1.72 0.00 0.00 179.24 176.05 3gi5 s ASP 30 N -5.87 3.07 -0.09 6.45 1.01 -1.26 -2.19 116.67 117.79 3gi5 s ASP 30 Ca -0.13 -0.66 -0.30 0.00 0.71 0.00 0.00 52.55 52.18 3gi5 s ASP 30 Cb 0.16 -0.23 -0.02 0.00 1.01 0.00 0.00 42.92 43.84 3gi5 s ASP 30 CO 0.78 0.19 1.04 -0.89 0.21 0.00 0.00 175.17 176.51 3gi5 s THR 31 N -0.95 4.69 -0.08 -1.27 2.01 -1.26 -3.90 115.64 114.87 3gi5 s THR 31 Ca 0.11 1.96 0.00 0.00 0.31 0.00 0.00 61.69 64.08 3gi5 s THR 31 Cb -0.10 -4.26 0.02 0.00 0.01 0.00 0.00 72.50 68.17 3gi5 s THR 31 CO 0.04 0.01 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.23 3gi5 s VAL 32 N 1.98 0.83 0.10 3.82 1.01 -0.65 -1.71 120.40 125.78 3gi5 s VAL 32 Ca 0.50 -0.22 0.07 0.00 0.00 0.00 0.00 61.98 62.33 3gi5 s VAL 32 Cb -0.20 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 3gi5 s VAL 32 CO 0.19 0.32 -0.11 -0.76 0.00 0.00 0.00 175.10 174.74 3gi5 s LEU 33 N 1.37 3.01 0.96 3.92 1.43 0.53 -0.83 118.68 129.05 3gi5 s LEU 33 Ca -0.03 -0.39 -0.11 0.00 -1.03 0.00 0.00 54.13 52.58 3gi5 s LEU 33 Cb -0.14 -1.80 0.17 0.00 0.03 0.00 0.00 46.19 44.45 3gi5 s LEU 33 CO -0.03 0.19 1.12 -1.61 0.23 0.00 0.00 176.35 176.24 3gi5 s GLU 34 N -2.12 0.69 -0.03 1.70 2.02 -1.26 -1.39 118.70 118.32 3gi5 s GLU 34 Ca 0.21 1.37 -0.39 0.00 0.02 0.00 0.00 54.97 56.18 3gi5 s GLU 34 Cb -0.11 -1.70 -0.18 0.00 0.10 0.00 0.00 34.13 32.24 3gi5 s GLU 34 CO 0.13 -2.80 1.35 -1.91 0.02 0.00 0.00 175.26 172.05 3gi5 n GLU 35 N -4.33 0.78 -3.60 1.61 4.07 -1.25 -4.59 120.64 113.33 3gi5 n GLU 35 Ca 0.10 0.28 -0.10 0.00 -0.06 0.00 0.00 57.16 57.38 3gi5 n GLU 35 Cb 0.53 -1.89 -0.02 0.00 -0.06 0.00 0.00 31.44 30.00 3gi5 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3gi5 s MET 36 N 0.99 1.46 -0.14 5.31 0.23 -1.26 -5.04 119.30 120.84 3gi5 s MET 36 Ca 0.90 -0.68 -0.18 0.00 -1.03 0.00 0.00 55.69 54.69 3gi5 s MET 36 Cb -1.09 0.59 -0.04 0.00 -1.53 0.00 0.00 34.83 32.76 3gi5 s MET 36 CO 0.55 -0.65 0.50 -0.80 -2.03 0.00 0.00 175.02 172.59 3gi5 s ASN 37 N -2.82 6.66 0.02 -1.18 0.02 -1.26 -5.05 114.94 111.34 3gi5 s ASN 37 Ca 0.05 0.79 0.06 0.00 -1.02 0.00 0.00 52.86 52.74 3gi5 s ASN 37 Cb -0.03 -2.29 -0.02 0.00 0.02 0.00 0.00 41.25 38.93 3gi5 s ASN 37 CO -0.05 -0.06 -0.17 -0.76 0.02 0.00 0.00 177.10 176.08 3gi5 s LEU 38 N 0.92 2.13 0.72 0.60 1.43 -1.26 -5.08 118.68 118.14 3gi5 s LEU 38 Ca 0.26 -0.43 -0.11 0.00 -1.03 0.00 0.00 54.13 52.82 3gi5 s LEU 38 Cb -0.15 -0.82 0.02 0.00 0.03 0.00 0.00 46.19 45.28 3gi5 s LEU 38 CO 0.10 0.13 1.08 -2.16 0.23 0.00 0.00 176.35 175.74 3gi5 s PRO 39 N -0.92 2.71 0.00 1.29 0.04 -1.26 -4.96 135.00 131.89 3gi5 s PRO 39 Ca 0.05 0.64 0.00 0.00 0.04 0.00 0.00 61.00 61.73 3gi5 s PRO 39 Cb -0.08 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.47 3gi5 s PRO 39 CO 0.01 -1.18 0.00 0.41 0.04 0.00 0.00 177.00 176.27 3gi5 n GLY 40 N -2.50 0.10 3.78 0.56 0.00 -1.26 -4.96 105.19 100.90 3gi5 n GLY 40 Ca 0.07 -1.94 -0.37 0.00 0.00 0.00 0.00 46.02 43.77 3gi5 n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gi5 s LYS 41 N -1.25 4.26 0.14 1.61 0.00 -1.26 -5.06 119.74 118.18 3gi5 s LYS 41 Ca 0.00 1.56 0.03 0.00 0.00 0.00 0.00 55.97 57.56 3gi5 s LYS 41 Cb 0.00 -2.66 -0.04 0.00 0.00 0.00 0.00 37.83 35.12 3gi5 s LYS 41 CO 0.00 -0.07 -0.06 1.67 0.00 0.00 0.00 175.35 176.88 3gi5 s TRP 42 N -1.57 1.16 -0.05 1.78 1.48 -1.26 -4.61 118.94 115.87 3gi5 s TRP 42 Ca 0.55 -0.87 0.06 0.00 -1.06 0.00 0.00 56.10 54.79 3gi5 s TRP 42 Cb -0.24 -0.63 -0.01 0.00 -1.16 0.00 0.00 33.47 31.43 3gi5 s TRP 42 CO 0.30 -0.05 -0.25 0.15 -4.06 0.00 0.00 176.95 173.04 3gi5 s LYS 43 N -3.81 2.41 0.33 3.25 -0.14 -0.72 -4.90 119.74 116.15 3gi5 s LYS 43 Ca 0.17 -0.89 -0.29 0.00 -1.36 0.00 0.00 55.97 53.60 3gi5 s LYS 43 Cb 0.04 -2.10 -0.11 0.00 -1.68 0.00 0.00 37.83 33.99 3gi5 s LYS 43 CO 0.00 0.41 1.44 -2.14 -0.76 0.00 0.00 175.35 174.31 3gi5 s PRO 44 N -0.25 4.21 0.05 -1.68 0.02 -1.26 -0.54 135.00 135.54 3gi5 s PRO 44 Ca -0.01 2.42 -0.05 0.00 0.02 0.00 0.00 61.00 63.38 3gi5 s PRO 44 Cb -0.13 -3.03 -0.01 0.00 0.02 0.00 0.00 34.50 31.34 3gi5 s PRO 44 CO 0.03 -0.43 0.10 0.21 -0.33 0.00 0.00 177.00 176.57 3gi5 s LYS 45 N -1.43 0.65 0.01 5.54 2.20 -0.55 -4.89 119.74 121.27 3gi5 s LYS 45 Ca 0.54 -0.88 0.08 0.00 -0.36 0.00 0.00 55.97 55.36 3gi5 s LYS 45 Cb -0.44 0.25 -0.02 0.00 -1.51 0.00 0.00 37.83 36.11 3gi5 s LYS 45 CO 0.54 -0.17 -0.25 -1.64 -0.36 0.00 0.00 175.35 173.48 3gi5 s MET 46 N -3.11 1.87 0.09 4.03 -1.94 -1.26 -0.82 119.30 118.16 3gi5 s MET 46 Ca -0.01 -0.96 0.03 0.00 -1.71 0.00 0.00 55.69 53.04 3gi5 s MET 46 Cb 0.02 -1.90 -0.03 0.00 2.01 0.00 0.00 34.83 34.92 3gi5 s MET 46 CO -0.07 0.51 -0.09 0.96 -0.01 0.00 0.00 175.02 176.32 3gi5 s ILE 47 N -0.67 0.84 0.39 2.53 -4.36 -0.59 -4.98 121.20 114.37 3gi5 s ILE 47 Ca 0.10 -1.60 0.02 0.00 -0.26 0.00 0.00 60.65 58.92 3gi5 s ILE 47 Cb -0.10 -1.29 -0.01 0.00 1.25 0.00 0.00 42.46 42.31 3gi5 s ILE 47 CO 0.00 -0.58 0.58 -0.83 0.24 0.00 0.00 174.94 174.36 3gi5 s GLY 48 N -2.40 1.53 0.20 6.27 0.00 -1.26 -0.95 107.32 110.70 3gi5 s GLY 48 Ca 0.04 -1.16 -0.07 0.00 0.00 0.00 0.00 44.72 43.53 3gi5 s GLY 48 CO -0.01 -1.04 0.39 0.61 0.00 0.00 0.00 173.10 173.05 3gi5 n GLY 49 N -1.88 1.60 0.24 0.20 0.00 0.07 -4.93 105.19 100.48 3gi5 n GLY 49 Ca -0.00 -1.18 0.08 0.00 0.00 0.00 0.00 46.02 44.92 3gi5 n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3gi5 h ILE 50 N 1.51 0.92 -0.01 -0.61 2.10 -2.03 -2.98 117.51 116.41 3gi5 h ILE 50 Ca -0.17 -0.59 0.00 0.00 1.08 0.00 0.00 64.86 65.18 3gi5 h ILE 50 Cb 0.64 1.33 0.00 0.00 -1.09 0.00 0.00 36.82 37.70 3gi5 h ILE 50 CO 0.22 0.16 -0.63 0.61 -1.08 0.00 0.00 178.15 177.43 3gi5 n GLY 51 N -0.90 -0.30 0.00 8.18 0.00 -1.26 -5.07 105.19 105.83 3gi5 n GLY 51 Ca -0.02 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.38 3gi5 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gi5 n GLY 52 N 1.44 0.90 3.60 -0.02 0.00 -1.13 -5.12 105.19 104.87 3gi5 n GLY 52 Ca 0.08 -1.95 -0.31 0.00 0.00 0.00 0.00 46.02 43.83 3gi5 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gi5 s PHE 53 N -2.37 2.87 0.15 1.61 0.40 -1.26 -0.75 117.98 118.62 3gi5 s PHE 53 Ca 0.00 -0.06 0.05 0.00 -0.60 0.00 0.00 56.93 56.31 3gi5 s PHE 53 Cb 0.00 -1.57 -0.04 0.00 0.51 0.00 0.00 43.02 41.92 3gi5 s PHE 53 CO 0.00 0.39 -0.10 0.96 0.70 0.00 0.00 175.22 177.17 3gi5 s ILE 54 N -1.07 1.18 0.00 0.64 -4.36 -0.13 -4.98 121.20 112.49 3gi5 s ILE 54 Ca 0.19 -2.06 -0.17 0.00 -0.26 0.00 0.00 60.65 58.35 3gi5 s ILE 54 Cb -0.11 -1.84 -0.06 0.00 1.25 0.00 0.00 42.46 41.70 3gi5 s ILE 54 CO 0.10 -0.74 0.48 -0.54 0.24 0.00 0.00 174.94 174.48 3gi5 s LYS 55 N -3.73 4.10 0.19 0.37 1.02 -1.26 -1.54 119.74 118.89 3gi5 s LYS 55 Ca 0.17 0.54 0.02 0.00 0.02 0.00 0.00 55.97 56.71 3gi5 s LYS 55 Cb 0.02 -3.27 -0.05 0.00 -0.52 0.00 0.00 37.83 34.02 3gi5 s LYS 55 CO 0.01 0.57 0.03 0.14 -0.92 0.00 0.00 175.35 175.17 3gi5 s VAL 56 N -0.76 0.62 -0.20 3.17 -7.23 0.00 -4.45 120.40 111.56 3gi5 s VAL 56 Ca 0.26 -1.98 -0.06 0.00 -1.81 0.00 0.00 61.98 58.39 3gi5 s VAL 56 Cb -0.17 -2.25 -0.03 0.00 0.56 0.00 0.00 36.38 34.48 3gi5 s VAL 56 CO 0.15 -0.35 0.02 -0.13 -0.31 0.00 0.00 175.10 174.48 3gi5 s ARG 57 N -3.95 3.73 -0.32 4.82 0.52 0.02 -1.48 118.95 122.29 3gi5 s ARG 57 Ca 0.28 -0.47 -0.14 0.00 -0.52 0.00 0.00 55.73 54.88 3gi5 s ARG 57 Cb 0.07 -3.13 -0.02 0.00 0.52 0.00 0.00 34.95 32.38 3gi5 s ARG 57 CO 0.06 0.08 0.33 -1.14 0.02 0.00 0.00 175.30 174.66 3gi5 s GLN 58 N 0.85 3.70 -0.15 3.54 0.74 0.29 -0.70 119.66 127.94 3gi5 s GLN 58 Ca 0.02 -0.33 -0.03 0.00 0.05 0.00 0.00 55.36 55.07 3gi5 s GLN 58 Cb -0.14 -3.76 -0.03 0.00 1.10 0.00 0.00 33.01 30.19 3gi5 s GLN 58 CO 0.02 -0.42 -0.05 0.71 -0.55 0.00 0.00 175.29 175.00 3gi5 s TYR 59 N 1.97 3.00 0.16 1.67 1.51 0.12 -1.75 117.35 124.03 3gi5 s TYR 59 Ca 0.11 -0.31 0.04 0.00 -1.01 0.00 0.00 57.07 55.90 3gi5 s TYR 59 Cb -0.16 -1.93 -0.04 0.00 -0.11 0.00 0.00 41.96 39.72 3gi5 s TYR 59 CO 0.11 -0.03 0.20 -0.51 -1.11 0.00 0.00 175.55 174.21 3gi5 s ASP 60 N 0.28 5.83 -1.33 2.29 1.01 -1.26 -0.28 116.67 123.21 3gi5 s ASP 60 Ca -0.04 -0.02 -0.03 0.00 0.71 0.00 0.00 52.55 53.16 3gi5 s ASP 60 Cb -0.14 -1.62 0.02 0.00 1.01 0.00 0.00 42.92 42.19 3gi5 s ASP 60 CO 0.03 0.05 0.86 0.00 0.21 0.00 0.00 175.17 176.33 3gi5 n GLN 61 N -0.48 -5.67 -3.55 8.23 1.13 -1.09 -4.90 117.38 111.05 3gi5 n GLN 61 Ca -0.08 0.68 -0.38 0.00 -1.94 0.00 0.00 57.00 55.29 3gi5 n GLN 61 Cb 0.55 -5.44 -0.10 0.00 0.11 0.00 0.00 30.24 25.36 3gi5 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3gi5 s ILE 62 N -3.51 5.28 0.13 5.09 -1.09 0.12 -4.70 121.20 122.52 3gi5 s ILE 62 Ca 0.18 0.32 -0.31 0.00 -2.23 0.00 0.00 60.65 58.61 3gi5 s ILE 62 Cb -0.09 -3.58 -0.09 0.00 -1.58 0.00 0.00 42.46 37.13 3gi5 s ILE 62 CO 0.79 0.26 1.51 -2.84 -1.23 0.00 0.00 174.94 173.44 3gi5 s PRO 63 N 1.55 4.25 -0.03 2.79 0.02 -1.26 -1.64 135.00 140.69 3gi5 s PRO 63 Ca 0.10 2.24 0.02 0.00 0.02 0.00 0.00 61.00 63.39 3gi5 s PRO 63 Cb -0.15 -3.27 0.01 0.00 0.02 0.00 0.00 34.50 31.11 3gi5 s PRO 63 CO 0.08 -0.57 -0.08 0.42 -0.33 0.00 0.00 177.00 176.53 3gi5 s ILE 64 N 1.41 0.68 -0.28 2.83 1.01 -0.27 -4.53 121.20 122.05 3gi5 s ILE 64 Ca 0.68 -0.29 -0.09 0.00 0.00 0.00 0.00 60.65 60.96 3gi5 s ILE 64 Cb -0.40 -0.62 -0.02 0.00 0.01 0.00 0.00 42.46 41.43 3gi5 s ILE 64 CO 0.31 0.22 0.12 -0.70 0.00 0.00 0.00 174.94 174.89 3gi5 s GLU 65 N 0.31 3.47 -0.35 2.79 2.12 -0.58 -0.54 118.70 125.93 3gi5 s GLU 65 Ca -0.05 -0.61 -0.06 0.00 0.36 0.00 0.00 54.97 54.61 3gi5 s GLU 65 Cb -0.09 -3.46 0.05 0.00 0.26 0.00 0.00 34.13 30.89 3gi5 s GLU 65 CO 0.00 -0.32 0.12 0.42 -0.54 0.00 0.00 175.26 174.95 3gi5 s ILE 66 N 1.61 3.70 -1.53 -3.70 1.01 0.87 -0.87 121.20 122.29 3gi5 s ILE 66 Ca 0.05 -1.28 -0.13 0.00 0.00 0.00 0.00 60.65 59.29 3gi5 s ILE 66 Cb -0.16 -3.16 0.08 0.00 0.01 0.00 0.00 42.46 39.23 3gi5 s ILE 66 CO 0.05 -0.26 0.97 0.00 0.00 0.00 0.00 174.94 175.70 3gi5 n GLY 68 N -1.69 1.22 3.57 0.00 0.00 -1.26 -5.01 105.19 102.02 3gi5 n GLY 68 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 3gi5 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3gi5 s HIS 69 N -2.95 3.12 -0.02 1.61 4.02 0.07 -5.08 115.29 116.06 3gi5 s HIS 69 Ca 0.00 -0.10 -0.26 0.00 1.02 0.00 0.00 55.06 55.71 3gi5 s HIS 69 Cb 0.00 -1.98 -0.04 0.00 -1.02 0.00 0.00 32.58 29.55 3gi5 s HIS 69 CO 0.00 0.10 0.82 -1.59 1.02 0.00 0.00 174.74 175.08 3gi5 s LYS 70 N 0.20 4.50 0.14 1.40 0.00 -1.26 -0.09 119.74 124.62 3gi5 s LYS 70 Ca 0.00 1.12 0.07 0.00 0.00 0.00 0.00 55.97 57.16 3gi5 s LYS 70 Cb -0.13 -3.44 -0.04 0.00 0.00 0.00 0.00 37.83 34.22 3gi5 s LYS 70 CO 0.02 0.06 -0.17 0.00 0.00 0.00 0.00 175.35 175.27 3gi5 s ALA 71 N 0.72 1.73 -0.12 0.59 0.00 0.30 -4.66 121.76 120.32 3gi5 s ALA 71 Ca 0.43 -1.36 -0.03 0.00 0.00 0.00 0.00 51.96 51.00 3gi5 s ALA 71 Cb -0.19 -0.14 0.05 0.00 0.00 0.00 0.00 23.12 22.83 3gi5 s ALA 71 CO 0.23 0.19 0.07 0.42 0.00 0.00 0.00 175.76 176.66 3gi5 s ILE 72 N -1.95 -0.00 0.00 0.00 1.01 -1.26 -1.11 121.20 117.88 3gi5 s ILE 72 Ca 0.11 0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.79 3gi5 s ILE 72 Cb -0.06 -0.46 0.00 0.00 0.01 0.00 0.00 42.46 41.95 3gi5 s ILE 72 CO 0.05 -0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.53 3gi5 n GLY 73 N 5.26 1.32 3.73 6.18 0.00 -0.65 -4.79 105.19 116.24 3gi5 n GLY 73 Ca -0.06 -0.72 -0.41 0.00 0.00 0.00 0.00 46.02 44.84 3gi5 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gi5 s THR 74 N -2.34 4.59 -0.11 2.61 2.01 -1.26 -0.71 115.64 120.43 3gi5 s THR 74 Ca 0.00 1.95 0.01 0.00 0.31 0.00 0.00 61.69 63.96 3gi5 s THR 74 Cb 0.00 -4.26 0.02 0.00 0.01 0.00 0.00 72.50 68.26 3gi5 s THR 74 CO 0.00 0.32 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.43 3gi5 s VAL 75 N 0.05 1.33 -0.10 3.82 1.01 0.62 -4.58 120.40 122.56 3gi5 s VAL 75 Ca 0.45 -0.52 -0.13 0.00 0.00 0.00 0.00 61.98 61.78 3gi5 s VAL 75 Cb -0.22 -1.25 -0.05 0.00 0.00 0.00 0.00 36.38 34.86 3gi5 s VAL 75 CO 0.28 0.41 0.31 -0.76 0.00 0.00 0.00 175.10 175.34 3gi5 s LEU 76 N 1.22 4.35 -0.14 3.92 1.43 -0.69 -0.71 118.68 128.07 3gi5 s LEU 76 Ca -0.03 0.67 0.02 0.00 -1.03 0.00 0.00 54.13 53.77 3gi5 s LEU 76 Cb -0.14 -2.39 0.01 0.00 0.03 0.00 0.00 46.19 43.70 3gi5 s LEU 76 CO -0.04 0.24 -0.22 -0.69 0.23 0.00 0.00 176.35 175.87 3gi5 s VAL 77 N -0.36 2.08 -0.75 -1.59 1.01 0.13 -0.35 120.40 120.56 3gi5 s VAL 77 Ca 0.19 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.20 3gi5 s VAL 77 Cb -0.14 -1.83 0.00 0.00 0.00 0.00 0.00 36.38 34.41 3gi5 s VAL 77 CO 0.07 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.33 3gi5 n GLY 78 N 4.08 -1.27 2.31 4.51 0.00 -0.49 -0.80 105.19 113.54 3gi5 n GLY 78 Ca -0.20 -0.88 -0.24 0.00 0.00 0.00 0.00 46.02 44.70 3gi5 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3gi5 n PRO 79 N -0.01 2.53 -2.46 1.61 -0.04 -1.26 -3.80 135.00 131.57 3gi5 n PRO 79 Ca 0.00 -1.50 -0.38 0.00 -0.04 0.00 0.00 63.50 61.58 3gi5 n PRO 79 Cb 0.00 -2.38 -0.03 0.00 -0.04 0.00 0.00 33.50 31.04 3gi5 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3gi5 s THR 80 N 2.20 3.52 0.41 0.52 -1.32 -1.26 -4.96 115.64 114.74 3gi5 s THR 80 Ca 0.56 1.26 0.24 0.00 -1.21 0.00 0.00 61.69 62.54 3gi5 s THR 80 Cb 0.19 -3.70 0.26 0.00 -1.51 0.00 0.00 72.50 67.74 3gi5 s THR 80 CO -0.03 0.10 2.03 1.55 -2.21 0.00 0.00 174.62 176.06 3gi5 h PRO 81 N 2.79 0.00 -3.13 7.08 0.13 -1.97 -3.44 132.00 133.46 3gi5 h PRO 81 Ca -0.48 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.57 3gi5 h PRO 81 Cb 1.22 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.18 3gi5 h PRO 81 CO 0.63 0.15 -0.16 0.14 -0.23 0.00 0.00 178.00 178.53 3gi5 s VAL 82 N -4.26 0.07 0.14 1.56 -7.23 -1.26 -5.09 120.40 104.32 3gi5 s VAL 82 Ca -0.03 -0.54 -0.31 0.00 -1.81 0.00 0.00 61.98 59.29 3gi5 s VAL 82 Cb 0.14 -0.94 -0.11 0.00 0.56 0.00 0.00 36.38 36.03 3gi5 s VAL 82 CO 0.62 -0.30 1.75 0.20 -0.31 0.00 0.00 175.10 177.06 3gi5 s ASN 83 N -2.01 6.45 -0.05 4.85 0.01 -1.26 -4.75 114.94 118.17 3gi5 s ASN 83 Ca -0.05 2.74 0.04 0.00 -0.71 0.00 0.00 52.86 54.88 3gi5 s ASN 83 Cb -0.01 -2.58 -0.00 0.00 0.41 0.00 0.00 41.25 39.07 3gi5 s ASN 83 CO -0.03 -0.96 -0.18 0.27 -1.51 0.00 0.00 177.10 174.69 3gi5 s ILE 84 N 2.13 1.54 -0.36 0.60 -4.36 -0.01 -0.94 121.20 119.80 3gi5 s ILE 84 Ca 0.77 -0.77 -0.17 0.00 -0.26 0.00 0.00 60.65 60.23 3gi5 s ILE 84 Cb -0.46 -1.33 -0.00 0.00 1.25 0.00 0.00 42.46 41.92 3gi5 s ILE 84 CO 0.34 0.44 0.44 -0.63 0.24 0.00 0.00 174.94 175.77 3gi5 s ILE 85 N 0.10 5.09 0.63 8.37 -1.09 0.77 -1.63 121.20 133.43 3gi5 s ILE 85 Ca -0.06 0.12 0.03 0.00 -2.23 0.00 0.00 60.65 58.52 3gi5 s ILE 85 Cb -0.13 -3.92 0.12 0.00 -1.58 0.00 0.00 42.46 36.95 3gi5 s ILE 85 CO 0.03 -0.20 0.87 0.61 -1.23 0.00 0.00 174.94 175.03 3gi5 n GLY 86 N 4.91 1.17 0.26 6.18 0.00 -1.25 -1.36 105.19 115.09 3gi5 n GLY 86 Ca -0.07 -2.10 0.09 0.00 0.00 0.00 0.00 46.02 43.94 3gi5 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3gi5 h ARG 87 N 0.00 0.00 -0.56 1.61 3.08 -0.52 -0.88 114.38 117.10 3gi5 h ARG 87 Ca -0.29 0.00 0.06 0.00 0.07 0.00 0.00 59.98 59.82 3gi5 h ARG 87 Cb 1.17 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.18 3gi5 h ARG 87 CO 0.35 0.02 0.38 -2.95 -1.07 0.00 0.00 179.97 176.70 3gi5 h ASN 88 N 0.00 0.47 0.00 7.04 -1.07 -1.70 -2.04 115.58 118.27 3gi5 h ASN 88 Ca -0.00 0.00 -0.28 0.00 0.07 0.00 0.00 56.30 56.09 3gi5 h ASN 88 Cb 0.04 -0.10 -0.05 0.00 -2.07 0.00 0.00 38.32 36.14 3gi5 h ASN 88 CO 0.00 0.31 -2.29 0.18 0.07 0.00 0.00 177.43 175.70 3gi5 n LEU 89 N -4.47 0.00 -0.35 6.14 4.77 -0.78 -4.21 117.00 118.10 3gi5 n LEU 89 Ca 0.08 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.03 3gi5 n LEU 89 Cb 0.24 0.38 0.11 0.00 -2.33 0.00 0.00 43.42 41.82 3gi5 n LEU 89 CO 0.34 0.38 1.24 -0.07 -1.33 0.00 0.00 177.39 177.96 3gi5 h LEU 90 N 0.00 1.14 -0.95 2.23 3.38 -0.99 -1.89 115.31 118.23 3gi5 h LEU 90 Ca -0.42 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.48 3gi5 h LEU 90 Cb 1.95 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 42.37 3gi5 h LEU 90 CO 0.02 0.86 0.51 0.71 0.09 0.00 0.00 178.44 180.63 3gi5 h THR 91 N 1.31 1.26 -0.82 0.22 1.35 -1.58 -0.82 112.91 113.82 3gi5 h THR 91 Ca 0.34 -0.61 -0.02 0.00 -0.55 0.00 0.00 66.41 65.57 3gi5 h THR 91 Cb -0.08 0.02 -0.04 0.00 -1.73 0.00 0.00 68.15 66.32 3gi5 h THR 91 CO -0.07 0.28 0.44 1.56 -0.25 0.00 0.00 175.52 177.48 3gi5 h GLN 92 N 1.26 1.15 -0.12 4.72 4.20 -1.53 -2.06 115.11 122.74 3gi5 h GLN 92 Ca 0.32 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.89 3gi5 h GLN 92 Cb 0.00 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.56 3gi5 h GLN 92 CO -0.05 0.85 0.00 0.44 -0.67 0.00 0.00 178.83 179.40 3gi5 n ILE 93 N -4.33 0.15 -1.54 2.54 -5.35 -0.95 -4.93 119.36 104.94 3gi5 n ILE 93 Ca 0.08 -0.26 0.00 0.00 -0.27 0.00 0.00 62.75 62.31 3gi5 n ILE 93 Cb 0.11 0.22 0.00 0.00 -1.74 0.00 0.00 39.64 38.22 3gi5 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3gi5 n GLY 94 N 1.05 0.40 3.76 3.28 0.00 -0.77 -5.02 105.19 107.90 3gi5 n GLY 94 Ca 0.16 -0.96 -0.40 0.00 0.00 0.00 0.00 46.02 44.82 3gi5 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gi5 s THR 96 N -1.17 0.21 -0.05 0.00 -4.23 -1.26 -4.69 115.64 104.44 3gi5 s THR 96 Ca 0.47 -1.74 -0.09 0.00 -1.18 0.00 0.00 61.69 59.15 3gi5 s THR 96 Cb -0.34 -1.46 -0.05 0.00 1.34 0.00 0.00 72.50 71.99 3gi5 s THR 96 CO 0.45 -0.96 0.26 -0.76 -0.54 0.00 0.00 174.62 173.06 3gi5 s LEU 97 N -2.85 4.41 -0.02 4.79 1.43 -1.26 -5.10 118.68 120.08 3gi5 s LEU 97 Ca 0.06 0.64 0.00 0.00 -1.03 0.00 0.00 54.13 53.80 3gi5 s LEU 97 Cb 0.07 -2.40 0.02 0.00 0.03 0.00 0.00 46.19 43.92 3gi5 s LEU 97 CO -0.10 0.34 0.02 0.20 0.23 0.00 0.00 176.35 177.04 3gi5 s ASN 98 N -1.24 0.12 0.00 2.29 0.01 -1.26 -5.29 114.94 109.57 3gi5 s ASN 98 Ca 0.21 0.02 0.00 0.00 -0.71 0.00 0.00 52.86 52.38 3gi5 s ASN 98 Cb -0.14 -0.08 0.00 0.00 0.41 0.00 0.00 41.25 41.44 3gi5 s ASN 98 CO 0.10 -0.10 0.00 2.22 -1.51 0.00 0.00 177.10 177.81