#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 3.14 -0.24 0.54 0.74 -1.26 -5.11 119.66 117.47 3gi5 s GLN 2 Ca 0.00 -0.82 -0.02 0.00 0.05 0.00 0.00 55.36 54.57 3gi5 s GLN 2 Cb 0.00 -2.42 0.02 0.00 1.10 0.00 0.00 33.01 31.71 3gi5 s GLN 2 CO 0.00 0.16 -0.06 0.42 -0.55 0.00 0.00 175.29 175.26 3gi5 s ILE 3 N 0.42 2.94 0.78 -2.34 1.01 -1.26 -5.11 121.20 117.64 3gi5 s ILE 3 Ca -0.15 -0.95 -0.11 0.00 0.00 0.00 0.00 60.65 59.44 3gi5 s ILE 3 Cb -0.17 -2.47 0.07 0.00 0.01 0.00 0.00 42.46 39.90 3gi5 s ILE 3 CO 0.06 0.23 1.14 0.42 0.00 0.00 0.00 174.94 176.79 3gi5 s THR 4 N 1.35 2.23 -0.18 2.92 -4.23 -1.26 -5.00 115.64 111.47 3gi5 s THR 4 Ca 0.01 0.00 0.16 0.00 -1.18 0.00 0.00 61.69 60.68 3gi5 s THR 4 Cb -0.16 -3.06 0.43 0.00 1.34 0.00 0.00 72.50 71.05 3gi5 s THR 4 CO -0.04 -0.07 1.32 0.18 -0.54 0.00 0.00 174.62 175.46 3gi5 n LEU 5 N -3.20 3.29 -0.10 4.79 4.77 -1.26 -4.48 117.00 120.80 3gi5 n LEU 5 Ca 0.08 -3.23 0.04 0.00 -0.03 0.00 0.00 56.01 52.86 3gi5 n LEU 5 Cb 0.60 -0.52 0.36 0.00 -2.33 0.00 0.00 43.42 41.54 3gi5 n LEU 5 CO 0.56 0.83 1.20 -0.50 -1.33 0.00 0.00 177.39 178.15 3gi5 h TRP 6 N 0.98 0.69 -1.97 -1.77 4.06 -2.06 -3.43 115.95 112.45 3gi5 h TRP 6 Ca 0.04 0.02 -0.57 0.00 2.06 0.00 0.00 58.89 60.43 3gi5 h TRP 6 Cb 1.29 -0.23 -0.13 0.00 -1.00 0.00 0.00 29.16 29.08 3gi5 h TRP 6 CO 0.43 0.42 -0.58 -1.59 -3.56 0.00 0.00 178.44 173.56 3gi5 s LYS 7 N -5.63 1.89 0.36 0.49 -2.85 -1.26 -5.11 119.74 107.62 3gi5 s LYS 7 Ca -0.09 -2.10 -0.28 0.00 -1.00 0.00 0.00 55.97 52.49 3gi5 s LYS 7 Cb 0.18 -1.22 -0.11 0.00 -2.06 0.00 0.00 37.83 34.62 3gi5 s LYS 7 CO 0.75 -0.20 1.44 1.03 0.10 0.00 0.00 175.35 178.47 3gi5 s ARG 8 N -3.80 4.18 -1.49 1.78 0.52 -1.26 -4.85 118.95 114.03 3gi5 s ARG 8 Ca 0.29 2.46 -0.13 0.00 -0.52 0.00 0.00 55.73 57.84 3gi5 s ARG 8 Cb 0.07 -3.00 0.02 0.00 0.52 0.00 0.00 34.95 32.56 3gi5 s ARG 8 CO 0.14 -0.43 2.39 -0.35 0.02 0.00 0.00 175.30 177.07 3gi5 n PRO 9 N 0.66 3.11 -2.99 3.54 -0.04 -1.26 -4.94 135.00 133.10 3gi5 n PRO 9 Ca 0.01 -2.56 -0.40 0.00 -0.04 0.00 0.00 63.50 60.51 3gi5 n PRO 9 Cb 0.40 -3.15 -0.05 0.00 -0.04 0.00 0.00 33.50 30.66 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 1.55 4.49 0.13 1.53 1.43 -1.26 -1.18 118.68 125.37 3gi5 s LEU 10 Ca 0.52 1.50 0.00 0.00 -1.03 0.00 0.00 54.13 55.13 3gi5 s LEU 10 Cb 0.15 -3.25 -0.04 0.00 0.03 0.00 0.00 46.19 43.08 3gi5 s LEU 10 CO -0.08 0.07 0.01 0.68 0.23 0.00 0.00 176.35 177.27 3gi5 s VAL 11 N -0.38 0.39 -0.01 -1.59 -7.23 -0.03 -4.92 120.40 106.63 3gi5 s VAL 11 Ca 0.38 -1.92 -0.26 0.00 -1.81 0.00 0.00 61.98 58.36 3gi5 s VAL 11 Cb -0.21 -1.96 -0.04 0.00 0.56 0.00 0.00 36.38 34.73 3gi5 s VAL 11 CO 0.24 -0.59 0.82 -0.89 -0.31 0.00 0.00 175.10 174.37 3gi5 s THR 12 N -3.84 4.89 0.25 5.32 2.01 -1.26 -0.70 115.64 122.30 3gi5 s THR 12 Ca 0.20 1.73 0.12 0.00 0.31 0.00 0.00 61.69 64.05 3gi5 s THR 12 Cb 0.07 -4.17 -0.05 0.00 0.01 0.00 0.00 72.50 68.36 3gi5 s THR 12 CO 0.00 0.25 -0.21 0.27 -0.69 0.00 0.00 174.62 174.24 3gi5 s ILE 13 N 0.64 2.42 -0.09 1.82 -4.36 0.37 -2.10 121.20 119.90 3gi5 s ILE 13 Ca 0.43 -2.26 0.02 0.00 -0.26 0.00 0.00 60.65 58.58 3gi5 s ILE 13 Cb -0.20 -2.23 0.01 0.00 1.25 0.00 0.00 42.46 41.30 3gi5 s ILE 13 CO 0.23 -0.30 -0.13 -0.60 0.24 0.00 0.00 174.94 174.38 3gi5 s ARG 14 N -3.19 1.93 -0.24 0.37 3.52 0.44 -1.63 118.95 120.14 3gi5 s ARG 14 Ca 0.26 -0.47 -0.02 0.00 -0.13 0.00 0.00 55.73 55.38 3gi5 s ARG 14 Cb -0.06 -1.66 0.08 0.00 -1.56 0.00 0.00 34.95 31.75 3gi5 s ARG 14 CO 0.13 -0.05 0.05 -1.50 -0.81 0.00 0.00 175.30 173.12 3gi5 s ILE 15 N 0.93 0.75 0.00 4.11 2.07 -0.50 -1.22 121.20 127.34 3gi5 s ILE 15 Ca -0.09 -0.94 0.00 0.00 -1.41 0.00 0.00 60.65 58.21 3gi5 s ILE 15 Cb -0.15 -1.34 0.00 0.00 0.13 0.00 0.00 42.46 41.09 3gi5 s ILE 15 CO 0.00 -0.38 0.00 0.61 -1.91 0.00 0.00 174.94 173.26 3gi5 n GLY 16 N 4.94 3.52 1.24 1.50 0.00 -1.26 -1.78 105.19 113.35 3gi5 n GLY 16 Ca -0.07 -0.01 0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 2.28 3.29 -0.02 0.00 -1.26 -4.84 105.19 104.64 3gi5 n GLY 17 Ca 0.00 -0.49 -0.33 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.93 3.25 -0.11 1.61 -1.52 -0.73 -5.10 119.66 115.12 3gi5 s GLN 18 Ca 0.29 -0.75 -0.03 0.00 -1.95 0.00 0.00 55.36 52.92 3gi5 s GLN 18 Cb 0.22 -2.59 -0.03 0.00 -0.22 0.00 0.00 33.01 30.39 3gi5 s GLN 18 CO 0.09 0.10 0.01 -0.51 -0.25 0.00 0.00 175.29 174.73 3gi5 s LEU 19 N 0.61 3.63 0.05 2.90 1.02 -1.26 -1.42 118.68 124.22 3gi5 s LEU 19 Ca -0.09 0.13 -0.06 0.00 0.02 0.00 0.00 54.13 54.13 3gi5 s LEU 19 Cb -0.16 -1.85 -0.01 0.00 0.02 0.00 0.00 46.19 44.19 3gi5 s LEU 19 CO 0.03 0.33 0.10 -0.54 0.02 0.00 0.00 176.35 176.29 3gi5 s LYS 20 N -0.58 0.67 0.00 1.70 1.02 -0.65 -5.00 119.74 116.90 3gi5 s LYS 20 Ca 0.10 -0.89 -0.14 0.00 0.02 0.00 0.00 55.97 55.06 3gi5 s LYS 20 Cb -0.12 0.26 -0.06 0.00 -0.52 0.00 0.00 37.83 37.40 3gi5 s LYS 20 CO 0.02 -0.17 0.40 -1.21 -0.92 0.00 0.00 175.35 173.46 3gi5 s GLU 21 N -3.19 3.88 0.01 1.68 0.41 -1.26 -0.48 118.70 119.76 3gi5 s GLU 21 Ca -0.00 0.37 -0.04 0.00 -0.41 0.00 0.00 54.97 54.89 3gi5 s GLU 21 Cb 0.02 -3.20 -0.01 0.00 -1.78 0.00 0.00 34.13 29.16 3gi5 s GLU 21 CO -0.07 0.69 0.07 0.00 -0.49 0.00 0.00 175.26 175.45 3gi5 s ALA 22 N -1.10 -0.14 -0.02 5.21 0.00 0.12 -4.27 121.76 121.56 3gi5 s ALA 22 Ca 0.24 -0.30 -0.29 0.00 0.00 0.00 0.00 51.96 51.61 3gi5 s ALA 22 Cb -0.16 0.12 -0.03 0.00 0.00 0.00 0.00 23.12 23.04 3gi5 s ALA 22 CO 0.13 -0.18 0.93 -0.51 0.00 0.00 0.00 175.76 176.13 3gi5 s LEU 23 N -1.36 4.35 -0.54 0.00 1.43 0.15 -0.85 118.68 121.86 3gi5 s LEU 23 Ca -0.15 1.57 -0.28 0.00 -1.03 0.00 0.00 54.13 54.24 3gi5 s LEU 23 Cb -0.08 -3.49 0.02 0.00 0.03 0.00 0.00 46.19 42.67 3gi5 s LEU 23 CO 0.00 -0.25 1.26 -0.76 0.23 0.00 0.00 176.35 176.84 3gi5 s LEU 24 N 1.04 3.48 -0.33 1.79 1.43 -0.33 -0.39 118.68 125.38 3gi5 s LEU 24 Ca 0.49 0.28 0.03 0.00 -1.03 0.00 0.00 54.13 53.90 3gi5 s LEU 24 Cb -0.20 -3.24 0.09 0.00 0.03 0.00 0.00 46.19 42.87 3gi5 s LEU 24 CO 0.26 -1.50 0.03 -0.62 0.23 0.00 0.00 176.35 174.75 3gi5 s ASP 25 N 3.33 4.64 0.39 2.29 3.68 -0.22 -4.81 116.67 125.97 3gi5 s ASP 25 Ca 0.48 -2.00 0.28 0.00 2.13 0.00 0.00 52.55 53.44 3gi5 s ASP 25 Cb -0.09 -1.54 1.15 0.00 -1.45 0.00 0.00 42.92 41.00 3gi5 s ASP 25 CO 0.27 -0.36 1.84 0.71 0.13 0.00 0.00 175.17 177.76 3gi5 h THR 26 N 6.62 0.00 -0.03 1.71 1.35 -1.94 -2.45 112.91 118.18 3gi5 h THR 26 Ca -0.07 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 3gi5 h THR 26 Cb 1.02 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 68.66 3gi5 h THR 26 CO 0.51 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.39 3gi5 n GLY 27 N 0.04 -0.29 3.37 5.82 0.00 -1.26 -4.80 105.19 108.06 3gi5 n GLY 27 Ca 0.01 -0.36 -0.37 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.98 3.09 0.22 4.61 0.00 -0.92 -4.98 121.76 121.80 3gi5 s ALA 28 Ca 0.40 -1.39 -0.09 0.00 0.00 0.00 0.00 51.96 50.88 3gi5 s ALA 28 Cb 0.21 -2.15 0.18 0.00 0.00 0.00 0.00 23.12 21.35 3gi5 s ALA 28 CO 0.33 -0.84 1.87 -0.44 0.00 0.00 0.00 175.76 176.68 3gi5 h ASP 29 N 8.24 0.96 -2.19 0.00 3.32 -1.87 0.24 116.42 125.12 3gi5 h ASP 29 Ca -0.33 -0.05 -0.61 0.00 0.02 0.00 0.00 57.03 56.07 3gi5 h ASP 29 Cb 1.14 -0.24 -0.14 0.00 0.22 0.00 0.00 39.33 40.31 3gi5 h ASP 29 CO 0.60 0.72 -0.74 -1.81 -1.72 0.00 0.00 179.24 176.29 3gi5 s ASP 30 N -6.00 3.58 -0.16 6.45 1.01 -1.26 -2.80 116.67 117.49 3gi5 s ASP 30 Ca -0.13 -1.06 -0.18 0.00 0.71 0.00 0.00 52.55 51.89 3gi5 s ASP 30 Cb 0.16 -0.30 -0.04 0.00 1.01 0.00 0.00 42.92 43.75 3gi5 s ASP 30 CO 0.80 -0.01 0.49 -0.89 0.21 0.00 0.00 175.17 175.76 3gi5 s THR 31 N -2.55 5.15 -0.16 -1.27 2.01 -1.26 -3.67 115.64 113.90 3gi5 s THR 31 Ca 0.30 0.95 0.00 0.00 0.31 0.00 0.00 61.69 63.25 3gi5 s THR 31 Cb -0.03 -3.83 0.03 0.00 0.01 0.00 0.00 72.50 68.68 3gi5 s THR 31 CO 0.15 0.26 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.52 3gi5 s VAL 32 N 1.10 1.54 0.13 3.82 1.01 -0.06 -0.43 120.40 127.50 3gi5 s VAL 32 Ca 0.25 -0.71 0.07 0.00 0.00 0.00 0.00 61.98 61.59 3gi5 s VAL 32 Cb -0.15 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 3gi5 s VAL 32 CO 0.10 0.36 -0.08 -0.76 0.00 0.00 0.00 175.10 174.72 3gi5 s LEU 33 N 1.48 3.08 0.91 3.92 1.43 0.11 -0.06 118.68 129.55 3gi5 s LEU 33 Ca 0.03 -0.42 -0.10 0.00 -1.03 0.00 0.00 54.13 52.62 3gi5 s LEU 33 Cb -0.14 -1.83 0.14 0.00 0.03 0.00 0.00 46.19 44.39 3gi5 s LEU 33 CO -0.10 0.15 1.14 -1.83 0.23 0.00 0.00 176.35 175.95 3gi5 s GLU 34 N -2.43 1.07 -0.12 1.70 -1.05 -1.26 -1.67 118.70 114.94 3gi5 s GLU 34 Ca 0.23 1.53 -0.38 0.00 -0.15 0.00 0.00 54.97 56.20 3gi5 s GLU 34 Cb -0.10 -1.74 -0.15 0.00 -0.44 0.00 0.00 34.13 31.70 3gi5 s GLU 34 CO 0.15 -2.59 1.62 -1.91 0.95 0.00 0.00 175.26 173.48 3gi5 n GLU 35 N -4.21 1.32 -3.60 -4.83 4.07 -1.11 -4.53 120.64 107.75 3gi5 n GLU 35 Ca 0.12 0.48 -0.16 0.00 -0.06 0.00 0.00 57.16 57.53 3gi5 n GLU 35 Cb 0.52 -2.17 -0.07 0.00 -0.06 0.00 0.00 31.44 29.66 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 2.49 0.93 -1.15 5.31 0.23 -1.26 -5.03 119.30 120.83 3gi5 s MET 36 Ca 0.92 0.12 -0.07 0.00 -1.03 0.00 0.00 55.69 55.63 3gi5 s MET 36 Cb -0.97 0.43 0.26 0.00 -1.53 0.00 0.00 34.83 33.02 3gi5 s MET 36 CO 0.57 -0.28 1.48 -1.71 -2.03 0.00 0.00 175.02 173.05 3gi5 n ASN 37 N 1.04 5.82 -4.78 -1.18 4.05 -1.26 -5.01 115.26 113.94 3gi5 n ASN 37 Ca -0.20 -3.22 -0.36 0.00 0.45 0.00 0.00 54.58 51.25 3gi5 n ASN 37 Cb 0.57 -1.37 -0.03 0.00 1.23 0.00 0.00 39.78 40.18 3gi5 n ASN 37 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 3gi5 s LEU 38 N -1.43 4.05 0.68 1.20 1.43 -1.26 -5.02 118.68 118.33 3gi5 s LEU 38 Ca 0.34 2.13 -0.14 0.00 -1.03 0.00 0.00 54.13 55.44 3gi5 s LEU 38 Cb 0.02 -4.25 0.01 0.00 0.03 0.00 0.00 46.19 41.99 3gi5 s LEU 38 CO 0.03 -0.70 1.10 -2.16 0.23 0.00 0.00 176.35 174.85 3gi5 s PRO 39 N -2.67 2.71 0.00 1.29 0.04 -1.26 -4.97 135.00 130.14 3gi5 s PRO 39 Ca 0.61 1.32 0.00 0.00 0.04 0.00 0.00 61.00 62.98 3gi5 s PRO 39 Cb -0.24 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.36 3gi5 s PRO 39 CO 0.30 -1.31 0.00 0.41 0.04 0.00 0.00 177.00 176.43 3gi5 n GLY 40 N -0.73 0.51 3.79 0.56 0.00 -1.26 -5.01 105.19 103.06 3gi5 n GLY 40 Ca 0.10 -2.11 -0.33 0.00 0.00 0.00 0.00 46.02 43.67 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 -1.09 3.34 0.22 1.61 0.00 -1.26 -5.06 119.74 117.50 3gi5 s LYS 41 Ca 0.00 1.33 -0.15 0.00 0.00 0.00 0.00 55.97 57.15 3gi5 s LYS 41 Cb 0.00 -2.03 0.01 0.00 0.00 0.00 0.00 37.83 35.81 3gi5 s LYS 41 CO 0.00 -0.81 0.50 1.67 0.00 0.00 0.00 175.35 176.71 3gi5 s TRP 42 N -2.23 0.10 0.02 1.78 1.48 -1.26 -4.47 118.94 114.37 3gi5 s TRP 42 Ca 0.66 -0.47 0.02 0.00 -1.06 0.00 0.00 56.10 55.25 3gi5 s TRP 42 Cb -0.18 0.31 -0.01 0.00 -1.16 0.00 0.00 33.47 32.42 3gi5 s TRP 42 CO 0.33 -0.96 -0.06 -1.59 -4.06 0.00 0.00 176.95 170.61 3gi5 s LYS 43 N -3.94 0.43 0.46 3.25 -2.85 -0.74 -4.91 119.74 111.44 3gi5 s LYS 43 Ca 0.15 -0.48 -0.22 0.00 -1.00 0.00 0.00 55.97 54.42 3gi5 s LYS 43 Cb -0.01 -0.28 -0.08 0.00 -2.06 0.00 0.00 37.83 35.40 3gi5 s LYS 43 CO 0.03 0.06 1.06 -1.25 0.10 0.00 0.00 175.35 175.36 3gi5 s PRO 44 N -0.92 3.87 0.06 1.78 0.04 -1.26 -0.44 135.00 138.13 3gi5 s PRO 44 Ca -0.05 1.48 -0.16 0.00 0.04 0.00 0.00 61.00 62.30 3gi5 s PRO 44 Cb -0.06 -2.27 0.03 0.00 0.04 0.00 0.00 34.50 32.24 3gi5 s PRO 44 CO 0.00 -0.39 0.38 0.21 0.04 0.00 0.00 177.00 177.24 3gi5 s LYS 45 N -2.94 0.93 -0.09 4.56 2.20 -0.42 -4.89 119.74 119.09 3gi5 s LYS 45 Ca 0.64 -0.48 0.04 0.00 -0.36 0.00 0.00 55.97 55.81 3gi5 s LYS 45 Cb -0.20 0.41 -0.00 0.00 -1.51 0.00 0.00 37.83 36.52 3gi5 s LYS 45 CO 0.25 -0.32 -0.23 -1.64 -0.36 0.00 0.00 175.35 173.04 3gi5 s MET 46 N -2.82 2.82 0.04 4.03 -1.94 -1.26 -0.26 119.30 119.92 3gi5 s MET 46 Ca -0.03 -0.86 0.09 0.00 -1.71 0.00 0.00 55.69 53.18 3gi5 s MET 46 Cb -0.00 -2.20 -0.03 0.00 2.01 0.00 0.00 34.83 34.61 3gi5 s MET 46 CO -0.05 0.23 -0.26 0.96 -0.01 0.00 0.00 175.02 175.88 3gi5 s ILE 47 N 0.22 2.15 0.02 2.53 -4.36 -0.59 -4.97 121.20 116.20 3gi5 s ILE 47 Ca -0.14 -1.37 0.05 0.00 -0.26 0.00 0.00 60.65 58.92 3gi5 s ILE 47 Cb -0.17 -1.83 -0.03 0.00 1.25 0.00 0.00 42.46 41.68 3gi5 s ILE 47 CO 0.07 0.38 -0.11 -0.83 0.24 0.00 0.00 174.94 174.69 3gi5 s GLY 48 N -1.21 1.68 0.00 6.27 0.00 -1.26 -1.30 107.32 111.51 3gi5 s GLY 48 Ca 0.12 -1.09 0.00 0.00 0.00 0.00 0.00 44.72 43.75 3gi5 s GLY 48 CO 0.02 -0.96 0.00 0.61 0.00 0.00 0.00 173.10 172.77 3gi5 n GLY 49 N 1.55 3.91 3.72 0.20 0.00 -0.23 -4.99 105.19 109.35 3gi5 n GLY 49 Ca -0.16 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.60 3gi5 n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gi5 s ILE 50 N -1.35 2.24 0.00 -0.61 1.01 -1.26 -2.04 121.20 119.19 3gi5 s ILE 50 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.82 3gi5 s ILE 50 Cb 0.00 -3.11 0.00 0.00 0.01 0.00 0.00 42.46 39.36 3gi5 s ILE 50 CO 0.00 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.56 3gi5 n GLY 51 N 3.90 1.27 0.00 6.18 0.00 -1.26 -4.91 105.19 110.37 3gi5 n GLY 51 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.00 0.23 3.61 -0.02 0.00 -0.86 -5.06 105.19 101.09 3gi5 n GLY 52 Ca 0.00 -1.92 -0.27 0.00 0.00 0.00 0.00 46.02 43.82 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 0.00 2.75 0.18 1.61 0.40 -1.26 -1.06 117.98 120.60 3gi5 s PHE 53 Ca 0.00 -0.17 0.10 0.00 -0.60 0.00 0.00 56.93 56.26 3gi5 s PHE 53 Cb 0.00 -1.37 -0.04 0.00 0.51 0.00 0.00 43.02 42.12 3gi5 s PHE 53 CO 0.00 0.49 -0.21 0.96 0.70 0.00 0.00 175.22 177.17 3gi5 s ILE 54 N -1.59 2.05 -0.03 0.64 -4.36 -0.42 -4.97 121.20 112.53 3gi5 s ILE 54 Ca 0.25 -1.98 -0.21 0.00 -0.26 0.00 0.00 60.65 58.45 3gi5 s ILE 54 Cb -0.10 -1.97 -0.05 0.00 1.25 0.00 0.00 42.46 41.60 3gi5 s ILE 54 CO 0.16 -0.24 0.60 -0.75 0.24 0.00 0.00 174.94 174.95 3gi5 s LYS 55 N -2.78 4.34 0.23 0.37 2.20 -1.26 -1.54 119.74 121.30 3gi5 s LYS 55 Ca 0.18 0.73 0.04 0.00 -0.36 0.00 0.00 55.97 56.56 3gi5 s LYS 55 Cb -0.07 -3.37 -0.05 0.00 -1.51 0.00 0.00 37.83 32.83 3gi5 s LYS 55 CO 0.08 0.29 -0.02 0.14 -0.36 0.00 0.00 175.35 175.49 3gi5 s VAL 56 N 0.07 1.10 -0.21 4.02 -7.23 0.64 -4.38 120.40 114.42 3gi5 s VAL 56 Ca 0.32 -2.04 -0.04 0.00 -1.81 0.00 0.00 61.98 58.40 3gi5 s VAL 56 Cb -0.18 -2.32 -0.02 0.00 0.56 0.00 0.00 36.38 34.43 3gi5 s VAL 56 CO 0.17 -0.35 -0.03 -0.13 -0.31 0.00 0.00 175.10 174.45 3gi5 s ARG 57 N -3.84 3.48 -0.32 4.82 0.52 0.61 -1.30 118.95 122.92 3gi5 s ARG 57 Ca 0.28 -0.58 -0.19 0.00 -0.52 0.00 0.00 55.73 54.71 3gi5 s ARG 57 Cb 0.05 -3.02 -0.01 0.00 0.52 0.00 0.00 34.95 32.49 3gi5 s ARG 57 CO 0.08 -0.10 0.59 -1.14 0.02 0.00 0.00 175.30 174.76 3gi5 s GLN 58 N 1.24 3.82 -0.10 3.54 0.74 0.41 -0.71 119.66 128.60 3gi5 s GLN 58 Ca 0.03 0.16 -0.02 0.00 0.05 0.00 0.00 55.36 55.58 3gi5 s GLN 58 Cb -0.14 -3.75 -0.03 0.00 1.10 0.00 0.00 33.01 30.18 3gi5 s GLN 58 CO -0.00 -0.59 -0.01 0.71 -0.55 0.00 0.00 175.29 174.85 3gi5 s TYR 59 N 2.54 3.11 0.19 1.67 1.51 0.09 -1.80 117.35 124.67 3gi5 s TYR 59 Ca 0.23 0.07 0.06 0.00 -1.01 0.00 0.00 57.07 56.42 3gi5 s TYR 59 Cb -0.15 -1.83 -0.04 0.00 -0.11 0.00 0.00 41.96 39.84 3gi5 s TYR 59 CO 0.12 0.34 0.15 -0.51 -1.11 0.00 0.00 175.55 174.55 3gi5 s ASP 60 N -0.57 5.50 -1.36 2.29 1.01 -1.26 -0.92 116.67 121.37 3gi5 s ASP 60 Ca 0.09 -0.18 -0.01 0.00 0.71 0.00 0.00 52.55 53.17 3gi5 s ASP 60 Cb -0.12 -1.42 0.01 0.00 1.01 0.00 0.00 42.92 42.40 3gi5 s ASP 60 CO 0.02 0.03 0.61 0.00 0.21 0.00 0.00 175.17 176.04 3gi5 n GLN 61 N -0.63 -4.32 -3.51 8.23 1.13 -1.11 -4.91 117.38 112.27 3gi5 n GLN 61 Ca -0.08 0.54 -0.38 0.00 -1.94 0.00 0.00 57.00 55.13 3gi5 n GLN 61 Cb 0.56 -4.95 -0.10 0.00 0.11 0.00 0.00 30.24 25.86 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 -3.76 5.26 0.14 5.09 -1.09 -0.28 -4.75 121.20 121.82 3gi5 s ILE 62 Ca 0.04 0.35 -0.30 0.00 -2.23 0.00 0.00 60.65 58.52 3gi5 s ILE 62 Cb -0.02 -3.60 -0.07 0.00 -1.58 0.00 0.00 42.46 37.19 3gi5 s ILE 62 CO 0.84 0.23 1.14 -2.16 -1.23 0.00 0.00 174.94 173.75 3gi5 s PRO 63 N 1.77 4.53 -0.01 2.79 0.04 -1.26 -2.22 135.00 140.65 3gi5 s PRO 63 Ca 0.11 1.74 0.02 0.00 0.04 0.00 0.00 61.00 62.91 3gi5 s PRO 63 Cb -0.16 -3.30 -0.00 0.00 0.04 0.00 0.00 34.50 31.09 3gi5 s PRO 63 CO 0.10 -0.04 -0.07 0.42 0.04 0.00 0.00 177.00 177.45 3gi5 s ILE 64 N 0.17 0.57 -0.21 0.56 1.01 -0.40 -4.54 121.20 118.36 3gi5 s ILE 64 Ca 0.52 -0.28 -0.09 0.00 0.00 0.00 0.00 60.65 60.81 3gi5 s ILE 64 Cb -0.30 -0.50 -0.04 0.00 0.01 0.00 0.00 42.46 41.63 3gi5 s ILE 64 CO 0.33 0.17 0.11 -0.70 0.00 0.00 0.00 174.94 174.85 3gi5 s GLU 65 N 0.01 4.03 -0.28 2.79 2.12 -0.36 -0.85 118.70 126.16 3gi5 s GLU 65 Ca 0.00 -0.30 0.02 0.00 0.36 0.00 0.00 54.97 55.05 3gi5 s GLU 65 Cb -0.05 -3.36 0.07 0.00 0.26 0.00 0.00 34.13 31.05 3gi5 s GLU 65 CO -0.00 0.18 -0.03 0.42 -0.54 0.00 0.00 175.26 175.29 3gi5 s ILE 66 N 0.66 1.84 -1.51 -3.70 1.01 0.26 -0.42 121.20 119.34 3gi5 s ILE 66 Ca 0.06 -1.65 -0.13 0.00 0.00 0.00 0.00 60.65 58.93 3gi5 s ILE 66 Cb -0.13 -2.15 0.08 0.00 0.01 0.00 0.00 42.46 40.27 3gi5 s ILE 66 CO 0.01 -0.27 0.97 0.00 0.00 0.00 0.00 174.94 175.66 3gi5 n GLY 68 N -1.70 0.54 3.82 0.00 0.00 -1.26 -5.02 105.19 101.58 3gi5 n GLY 68 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.45 3.62 0.04 1.61 4.02 -0.26 -5.07 115.29 116.80 3gi5 s HIS 69 Ca 0.00 0.74 -0.26 0.00 1.02 0.00 0.00 55.06 56.56 3gi5 s HIS 69 Cb 0.00 -2.19 -0.05 0.00 -1.02 0.00 0.00 32.58 29.32 3gi5 s HIS 69 CO 0.00 0.57 0.79 0.15 1.02 0.00 0.00 174.74 177.27 3gi5 s LYS 70 N -0.65 4.51 0.07 1.40 1.02 -1.26 -0.57 119.74 124.26 3gi5 s LYS 70 Ca 0.19 1.11 0.00 0.00 0.02 0.00 0.00 55.97 57.29 3gi5 s LYS 70 Cb -0.14 -3.37 -0.04 0.00 -0.52 0.00 0.00 37.83 33.76 3gi5 s LYS 70 CO 0.08 0.25 -0.05 0.00 -0.92 0.00 0.00 175.35 174.71 3gi5 s ALA 71 N 0.04 0.70 -0.20 5.17 0.00 -0.03 -4.64 121.76 122.79 3gi5 s ALA 71 Ca 0.40 -1.21 -0.11 0.00 0.00 0.00 0.00 51.96 51.04 3gi5 s ALA 71 Cb -0.21 0.20 0.07 0.00 0.00 0.00 0.00 23.12 23.18 3gi5 s ALA 71 CO 0.24 -0.28 0.49 -1.50 0.00 0.00 0.00 175.76 174.71 3gi5 s ILE 72 N -3.49 -0.06 -1.42 0.00 2.07 -1.26 -1.27 121.20 115.77 3gi5 s ILE 72 Ca 0.07 0.07 0.00 0.00 -1.41 0.00 0.00 60.65 59.38 3gi5 s ILE 72 Cb 0.05 -0.73 0.00 0.00 0.13 0.00 0.00 42.46 41.91 3gi5 s ILE 72 CO -0.07 0.03 0.00 0.61 -1.91 0.00 0.00 174.94 173.60 3gi5 n GLY 73 N 4.34 -0.61 3.72 1.50 0.00 -0.94 -4.87 105.19 108.34 3gi5 n GLY 73 Ca -0.22 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.63 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 -3.00 4.60 -0.05 2.61 2.01 -1.26 -1.13 115.64 119.42 3gi5 s THR 74 Ca 0.00 2.04 0.03 0.00 0.31 0.00 0.00 61.69 64.08 3gi5 s THR 74 Cb 0.00 -4.31 0.00 0.00 0.01 0.00 0.00 72.50 68.21 3gi5 s THR 74 CO 0.00 0.26 -0.15 0.68 -0.69 0.00 0.00 174.62 174.72 3gi5 s VAL 75 N 0.36 1.31 -0.21 3.82 -7.23 -0.09 -4.43 120.40 113.92 3gi5 s VAL 75 Ca 0.49 -0.62 -0.09 0.00 -1.81 0.00 0.00 61.98 59.95 3gi5 s VAL 75 Cb -0.23 -1.15 -0.04 0.00 0.56 0.00 0.00 36.38 35.52 3gi5 s VAL 75 CO 0.29 0.39 0.11 -0.76 -0.31 0.00 0.00 175.10 174.82 3gi5 s LEU 76 N 0.30 3.96 -0.14 1.32 1.43 0.42 -0.73 118.68 125.25 3gi5 s LEU 76 Ca -0.09 0.09 -0.00 0.00 -1.03 0.00 0.00 54.13 53.10 3gi5 s LEU 76 Cb -0.13 -2.03 -0.01 0.00 0.03 0.00 0.00 46.19 44.04 3gi5 s LEU 76 CO 0.03 0.12 -0.13 -0.69 0.23 0.00 0.00 176.35 175.91 3gi5 s VAL 77 N 0.73 3.02 0.02 -1.59 1.01 0.11 0.06 120.40 123.76 3gi5 s VAL 77 Ca 0.06 -0.67 -0.14 0.00 0.00 0.00 0.00 61.98 61.24 3gi5 s VAL 77 Cb -0.13 -2.28 0.05 0.00 0.00 0.00 0.00 36.38 34.02 3gi5 s VAL 77 CO 0.02 0.51 0.62 0.61 0.00 0.00 0.00 175.10 176.87 3gi5 n GLY 78 N 3.71 0.58 2.64 4.51 0.00 -0.67 -0.28 105.19 115.67 3gi5 n GLY 78 Ca -0.18 -0.97 -0.41 0.00 0.00 0.00 0.00 46.02 44.45 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 -0.45 3.18 -3.78 1.61 -0.04 -1.26 -2.73 135.00 131.53 3gi5 n PRO 79 Ca 0.01 -2.62 -0.35 0.00 -0.04 0.00 0.00 63.50 60.50 3gi5 n PRO 79 Cb 0.30 -3.12 -0.05 0.00 -0.04 0.00 0.00 33.50 30.59 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 2.55 5.33 -0.05 0.52 -1.32 -1.26 -5.00 115.64 116.41 3gi5 s THR 80 Ca 0.52 0.17 0.31 0.00 -1.21 0.00 0.00 61.69 61.48 3gi5 s THR 80 Cb 0.15 -3.55 0.37 0.00 -1.51 0.00 0.00 72.50 67.96 3gi5 s THR 80 CO -0.07 0.40 1.90 1.55 -2.21 0.00 0.00 174.62 176.19 3gi5 h PRO 81 N 4.13 0.00 -4.19 7.08 0.13 -1.98 -3.42 132.00 133.74 3gi5 h PRO 81 Ca -0.51 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.40 3gi5 h PRO 81 Cb 1.20 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.11 3gi5 h PRO 81 CO 0.65 0.00 -0.72 0.14 -0.23 0.00 0.00 178.00 177.84 3gi5 s VAL 82 N -3.56 0.28 0.09 1.56 -7.23 -1.26 -5.06 120.40 105.22 3gi5 s VAL 82 Ca 0.02 -0.80 -0.30 0.00 -1.81 0.00 0.00 61.98 59.09 3gi5 s VAL 82 Cb 0.08 -0.36 -0.05 0.00 0.56 0.00 0.00 36.38 36.61 3gi5 s VAL 82 CO 0.55 -0.34 1.01 0.20 -0.31 0.00 0.00 175.10 176.21 3gi5 s ASN 83 N -1.21 7.40 -0.20 4.85 0.01 -1.26 -4.56 114.94 119.97 3gi5 s ASN 83 Ca -0.10 1.82 0.01 0.00 -0.71 0.00 0.00 52.86 53.88 3gi5 s ASN 83 Cb -0.08 -2.59 0.04 0.00 0.41 0.00 0.00 41.25 39.04 3gi5 s ASN 83 CO -0.00 -0.17 -0.10 -0.63 -1.51 0.00 0.00 177.10 174.69 3gi5 s ILE 84 N 0.32 1.58 -0.45 0.60 1.01 0.92 -0.67 121.20 124.51 3gi5 s ILE 84 Ca 0.50 -0.97 -0.23 0.00 0.00 0.00 0.00 60.65 59.94 3gi5 s ILE 84 Cb -0.24 -1.67 0.03 0.00 0.01 0.00 0.00 42.46 40.58 3gi5 s ILE 84 CO 0.30 0.16 0.79 -0.63 0.00 0.00 0.00 174.94 175.56 3gi5 s ILE 85 N 1.42 4.65 0.70 2.92 -1.09 0.48 -0.88 121.20 129.40 3gi5 s ILE 85 Ca -0.01 0.43 -0.01 0.00 -2.23 0.00 0.00 60.65 58.83 3gi5 s ILE 85 Cb -0.16 -4.32 0.11 0.00 -1.58 0.00 0.00 42.46 36.51 3gi5 s ILE 85 CO -0.08 -0.72 0.97 -0.83 -1.23 0.00 0.00 174.94 173.06 3gi5 s GLY 86 N 2.13 1.77 0.50 6.18 0.00 -1.24 -1.05 107.32 115.60 3gi5 s GLY 86 Ca 0.30 -1.61 0.16 0.00 0.00 0.00 0.00 44.72 43.57 3gi5 s GLY 86 CO 0.23 -1.09 2.09 3.21 0.00 0.00 0.00 173.10 177.54 3gi5 h ARG 87 N -0.48 0.13 -0.76 2.90 3.08 -0.92 -1.37 114.38 116.95 3gi5 h ARG 87 Ca -0.38 -0.01 0.14 0.00 0.07 0.00 0.00 59.98 59.81 3gi5 h ARG 87 Cb 1.27 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 31.24 3gi5 h ARG 87 CO 0.43 0.08 0.51 -2.95 -1.07 0.00 0.00 179.97 176.97 3gi5 h ASN 88 N 0.13 0.42 0.00 7.04 -1.07 -1.79 -2.67 115.58 117.65 3gi5 h ASN 88 Ca 0.10 0.02 -0.36 0.00 0.07 0.00 0.00 56.30 56.14 3gi5 h ASN 88 Cb 0.25 -0.06 -0.07 0.00 -2.07 0.00 0.00 38.32 36.37 3gi5 h ASN 88 CO -0.01 0.22 -2.35 0.18 0.07 0.00 0.00 177.43 175.53 3gi5 n LEU 89 N -4.49 0.06 -0.32 6.14 4.77 -0.62 -4.40 117.00 118.15 3gi5 n LEU 89 Ca 0.14 -0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.15 3gi5 n LEU 89 Cb 0.51 0.46 0.18 0.00 -2.33 0.00 0.00 43.42 42.24 3gi5 n LEU 89 CO 0.32 0.50 1.18 -0.07 -1.33 0.00 0.00 177.39 177.99 3gi5 h LEU 90 N 0.00 0.79 -1.20 2.23 3.38 -1.12 -1.64 115.31 117.75 3gi5 h LEU 90 Ca -0.54 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.46 3gi5 h LEU 90 Cb 2.21 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 42.81 3gi5 h LEU 90 CO 0.03 0.46 0.35 0.71 0.09 0.00 0.00 178.44 180.07 3gi5 h THR 91 N 0.90 1.20 0.00 0.22 1.35 -1.70 -1.76 112.91 113.12 3gi5 h THR 91 Ca 0.42 -0.51 -0.05 0.00 -0.55 0.00 0.00 66.41 65.72 3gi5 h THR 91 Cb 0.33 0.33 -0.01 0.00 -1.73 0.00 0.00 68.15 67.08 3gi5 h THR 91 CO -0.23 0.22 -0.23 1.56 -0.25 0.00 0.00 175.52 176.60 3gi5 h GLN 92 N 0.90 0.00 -0.26 4.72 4.20 -1.51 -2.28 115.11 120.88 3gi5 h GLN 92 Ca 0.23 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.94 3gi5 h GLN 92 Cb 0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.82 3gi5 h GLN 92 CO -0.04 0.23 0.00 0.44 -0.67 0.00 0.00 178.83 178.79 3gi5 n ILE 93 N -3.74 0.33 -1.81 2.54 -5.35 -1.03 -4.91 119.36 105.39 3gi5 n ILE 93 Ca -0.01 -0.63 0.00 0.00 -0.27 0.00 0.00 62.75 61.84 3gi5 n ILE 93 Cb 0.33 1.04 0.00 0.00 -1.74 0.00 0.00 39.64 39.28 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 1.42 0.61 3.68 3.28 0.00 -0.86 -5.03 105.19 108.29 3gi5 n GLY 94 Ca 0.18 -0.76 -0.40 0.00 0.00 0.00 0.00 46.02 45.04 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 1.58 2.00 -0.10 0.00 -4.23 -1.26 -4.60 115.64 109.03 3gi5 s THR 96 Ca 0.30 -2.26 -0.09 0.00 -1.18 0.00 0.00 61.69 58.45 3gi5 s THR 96 Cb -0.16 -2.23 -0.04 0.00 1.34 0.00 0.00 72.50 71.40 3gi5 s THR 96 CO 0.11 -0.46 0.20 -0.76 -0.54 0.00 0.00 174.62 173.18 3gi5 s LEU 97 N -3.42 4.39 -0.02 4.79 1.43 -1.26 -5.10 118.68 119.49 3gi5 s LEU 97 Ca 0.27 0.56 0.00 0.00 -1.03 0.00 0.00 54.13 53.93 3gi5 s LEU 97 Cb -0.01 -2.19 0.02 0.00 0.03 0.00 0.00 46.19 44.03 3gi5 s LEU 97 CO 0.11 0.36 0.01 0.20 0.23 0.00 0.00 176.35 177.26 3gi5 s ASN 98 N -0.89 0.17 0.00 2.29 -0.87 -1.26 -5.30 114.94 109.08 3gi5 s ASN 98 Ca 0.16 0.00 0.00 0.00 -1.57 0.00 0.00 52.86 51.46 3gi5 s ASN 98 Cb -0.13 -0.09 0.00 0.00 -0.02 0.00 0.00 41.25 41.01 3gi5 s ASN 98 CO 0.06 -0.08 0.00 2.22 -2.57 0.00 0.00 177.10 176.73