#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q5k s GLN 2 N 0.00 3.55 -0.22 -0.52 0.74 -1.26 -5.10 119.66 116.85 2q5k s GLN 2 Ca 0.00 -0.37 0.02 0.00 0.05 0.00 0.00 55.36 55.05 2q5k s GLN 2 Cb 0.00 -3.02 0.05 0.00 1.10 0.00 0.00 33.01 31.13 2q5k s GLN 2 CO 0.00 0.46 -0.12 0.42 -0.55 0.00 0.00 175.29 175.49 2q5k s ILE 3 N -0.17 1.92 0.90 -2.34 1.01 -1.26 -5.12 121.20 116.14 2q5k s ILE 3 Ca 0.06 -1.26 -0.12 0.00 0.00 0.00 0.00 60.65 59.33 2q5k s ILE 3 Cb -0.12 -1.97 0.13 0.00 0.01 0.00 0.00 42.46 40.51 2q5k s ILE 3 CO 0.02 0.15 1.12 0.42 0.00 0.00 0.00 174.94 176.65 2q5k s THR 4 N 1.26 2.23 -0.17 2.92 -4.23 -1.26 -5.02 115.64 111.37 2q5k s THR 4 Ca -0.03 0.07 0.15 0.00 -1.18 0.00 0.00 61.69 60.70 2q5k s THR 4 Cb -0.17 -2.78 0.36 0.00 1.34 0.00 0.00 72.50 71.25 2q5k s THR 4 CO -0.08 -0.10 1.19 0.18 -0.54 0.00 0.00 174.62 175.28 2q5k n LEU 5 N -3.76 2.57 0.10 4.79 4.77 -1.26 -4.66 117.00 119.55 2q5k n LEU 5 Ca 0.06 -3.51 0.00 0.00 -0.03 0.00 0.00 56.01 52.54 2q5k n LEU 5 Cb 0.58 -0.48 0.31 0.00 -2.33 0.00 0.00 43.42 41.50 2q5k n LEU 5 CO 0.57 1.07 0.79 -0.50 -1.33 0.00 0.00 177.39 177.99 2q5k h TRP 6 N 0.53 0.29 -2.10 -1.77 4.06 -2.07 -3.44 115.95 111.46 2q5k h TRP 6 Ca 0.00 -0.05 -0.56 0.00 2.06 0.00 0.00 58.89 60.34 2q5k h TRP 6 Cb 1.02 -0.07 -0.13 0.00 -1.00 0.00 0.00 29.16 28.97 2q5k h TRP 6 CO 0.40 0.49 -0.56 -1.59 -3.56 0.00 0.00 178.44 173.62 2q5k s LYS 7 N -4.50 1.90 0.26 0.49 -2.85 -1.26 -5.11 119.74 108.66 2q5k s LYS 7 Ca -0.05 -2.13 -0.31 0.00 -1.00 0.00 0.00 55.97 52.48 2q5k s LYS 7 Cb 0.15 -1.03 -0.12 0.00 -2.06 0.00 0.00 37.83 34.77 2q5k s LYS 7 CO 0.75 -0.30 1.65 0.54 0.10 0.00 0.00 175.35 178.10 2q5k n ARG 8 N -0.92 2.73 -2.11 1.78 1.74 -1.26 -4.86 116.66 113.77 2q5k n ARG 8 Ca -0.07 0.98 -0.40 0.00 -0.77 0.00 0.00 57.85 57.59 2q5k n ARG 8 Cb 0.66 -2.79 -0.02 0.00 -1.02 0.00 0.00 32.46 29.29 2q5k n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2q5k n PRO 9 N 2.93 2.61 -3.29 5.56 -0.04 -1.26 -4.94 135.00 136.57 2q5k n PRO 9 Ca 0.12 -2.79 -0.38 0.00 -0.04 0.00 0.00 63.50 60.40 2q5k n PRO 9 Cb 0.36 -3.42 -0.06 0.00 -0.04 0.00 0.00 33.50 30.34 2q5k n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2q5k s LEU 10 N 4.68 4.35 0.14 1.53 1.43 -1.26 -0.94 118.68 128.62 2q5k s LEU 10 Ca 0.55 0.96 0.02 0.00 -1.03 0.00 0.00 54.13 54.63 2q5k s LEU 10 Cb 0.07 -2.77 -0.04 0.00 0.03 0.00 0.00 46.19 43.48 2q5k s LEU 10 CO 0.05 0.07 -0.02 0.68 0.23 0.00 0.00 176.35 177.37 2q5k s VAL 11 N 0.14 0.65 -0.03 -1.59 -7.23 0.26 -4.93 120.40 107.65 2q5k s VAL 11 Ca 0.28 -1.96 -0.25 0.00 -1.81 0.00 0.00 61.98 58.24 2q5k s VAL 11 Cb -0.16 -1.95 -0.04 0.00 0.56 0.00 0.00 36.38 34.78 2q5k s VAL 11 CO 0.13 -0.62 0.76 -0.89 -0.31 0.00 0.00 175.10 174.17 2q5k s THR 12 N -3.67 4.95 0.17 5.32 2.01 -1.26 -0.70 115.64 122.46 2q5k s THR 12 Ca 0.19 1.59 0.11 0.00 0.31 0.00 0.00 61.69 63.90 2q5k s THR 12 Cb 0.06 -4.10 -0.04 0.00 0.01 0.00 0.00 72.50 68.42 2q5k s THR 12 CO 0.01 0.26 -0.25 0.27 -0.69 0.00 0.00 174.62 174.22 2q5k s ILE 13 N 0.64 2.30 -0.07 1.82 -4.36 0.10 -3.24 121.20 118.40 2q5k s ILE 13 Ca 0.40 -1.95 0.03 0.00 -0.26 0.00 0.00 60.65 58.88 2q5k s ILE 13 Cb -0.19 -2.07 0.01 0.00 1.25 0.00 0.00 42.46 41.45 2q5k s ILE 13 CO 0.21 -0.06 -0.17 -0.13 0.24 0.00 0.00 174.94 175.02 2q5k s ARG 14 N -2.49 2.15 -0.04 0.37 3.00 0.15 -1.38 118.95 120.70 2q5k s ARG 14 Ca 0.18 -0.61 -0.02 0.00 0.00 0.00 0.00 55.73 55.29 2q5k s ARG 14 Cb -0.08 -1.73 0.03 0.00 0.00 0.00 0.00 34.95 33.17 2q5k s ARG 14 CO 0.09 0.13 0.07 -1.50 0.00 0.00 0.00 175.30 174.08 2q5k s ILE 15 N 0.42 -0.12 -1.32 1.52 2.07 -0.14 -1.15 121.20 122.48 2q5k s ILE 15 Ca -0.13 0.40 -0.11 0.00 -1.41 0.00 0.00 60.65 59.39 2q5k s ILE 15 Cb -0.16 -0.16 0.02 0.00 0.13 0.00 0.00 42.46 42.29 2q5k s ILE 15 CO 0.05 0.17 0.22 0.61 -1.91 0.00 0.00 174.94 174.07 2q5k n GLY 16 N 5.19 -0.34 1.40 1.50 0.00 -1.26 -0.57 105.19 111.12 2q5k n GLY 16 Ca -0.06 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2q5k n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2q5k n GLY 17 N -2.31 1.64 3.74 -0.02 0.00 -1.26 -5.04 105.19 101.94 2q5k n GLY 17 Ca -0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 2q5k n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2q5k s GLN 18 N -0.56 3.74 -0.12 1.61 -1.52 0.27 -5.09 119.66 117.98 2q5k s GLN 18 Ca 0.00 -0.25 -0.04 0.00 -1.95 0.00 0.00 55.36 53.12 2q5k s GLN 18 Cb 0.00 -3.21 -0.03 0.00 -0.22 0.00 0.00 33.01 29.55 2q5k s GLN 18 CO 0.00 0.50 0.02 -0.48 -0.25 0.00 0.00 175.29 175.07 2q5k s LEU 19 N -0.24 3.62 0.07 2.90 2.34 -1.26 -0.97 118.68 125.14 2q5k s LEU 19 Ca 0.09 0.10 -0.00 0.00 0.06 0.00 0.00 54.13 54.38 2q5k s LEU 19 Cb -0.12 -1.86 -0.04 0.00 -0.56 0.00 0.00 46.19 43.61 2q5k s LEU 19 CO 0.01 0.30 -0.03 -0.54 -1.06 0.00 0.00 176.35 175.03 2q5k s LYS 20 N -0.40 0.68 -0.24 1.48 1.02 -0.48 -4.99 119.74 116.81 2q5k s LYS 20 Ca 0.08 -1.26 -0.11 0.00 0.02 0.00 0.00 55.97 54.69 2q5k s LYS 20 Cb -0.12 0.13 -0.05 0.00 -0.52 0.00 0.00 37.83 37.27 2q5k s LYS 20 CO 0.02 -0.11 0.20 -2.00 -0.92 0.00 0.00 175.35 172.54 2q5k s GLU 21 N -3.91 4.07 0.03 1.68 2.12 -1.26 -0.72 118.70 120.70 2q5k s GLU 21 Ca 0.09 -0.21 0.02 0.00 0.36 0.00 0.00 54.97 55.24 2q5k s GLU 21 Cb 0.07 -3.55 -0.02 0.00 0.26 0.00 0.00 34.13 30.89 2q5k s GLU 21 CO -0.08 0.02 -0.07 0.00 -0.54 0.00 0.00 175.26 174.59 2q5k s ALA 22 N 1.18 0.54 -0.16 6.30 0.00 0.12 -4.39 121.76 125.35 2q5k s ALA 22 Ca 0.09 -0.65 -0.27 0.00 0.00 0.00 0.00 51.96 51.13 2q5k s ALA 22 Cb -0.14 0.01 -0.01 0.00 0.00 0.00 0.00 23.12 22.98 2q5k s ALA 22 CO 0.06 0.01 0.90 -1.17 0.00 0.00 0.00 175.76 175.55 2q5k s LEU 23 N -1.28 4.18 -0.45 0.00 2.96 0.27 -0.58 118.68 123.79 2q5k s LEU 23 Ca -0.08 1.29 -0.28 0.00 -0.22 0.00 0.00 54.13 54.84 2q5k s LEU 23 Cb -0.08 -3.35 -0.00 0.00 0.50 0.00 0.00 46.19 43.25 2q5k s LEU 23 CO 0.00 -0.44 1.58 -0.76 -1.32 0.00 0.00 176.35 175.41 2q5k s LEU 24 N 2.24 3.48 -0.38 -0.68 1.43 -0.11 -0.55 118.68 124.10 2q5k s LEU 24 Ca 0.41 0.76 0.02 0.00 -1.03 0.00 0.00 54.13 54.30 2q5k s LEU 24 Cb -0.17 -3.28 0.11 0.00 0.03 0.00 0.00 46.19 42.89 2q5k s LEU 24 CO 0.13 -1.71 0.14 -0.62 0.23 0.00 0.00 176.35 174.53 2q5k s ASP 25 N 5.22 4.19 0.59 2.29 3.68 -0.40 -4.77 116.67 127.46 2q5k s ASP 25 Ca 0.65 -2.24 0.37 0.00 2.13 0.00 0.00 52.55 53.47 2q5k s ASP 25 Cb -0.15 -1.24 1.72 0.00 -1.45 0.00 0.00 42.92 41.80 2q5k s ASP 25 CO 0.29 -0.34 2.11 0.71 0.13 0.00 0.00 175.17 178.08 2q5k h THR 26 N 6.07 0.00 -0.00 1.71 1.35 -1.93 -1.83 112.91 118.27 2q5k h THR 26 Ca -0.07 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 2q5k h THR 26 Cb 0.98 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.73 2q5k h THR 26 CO 0.52 0.00 -0.07 0.61 -0.25 0.00 0.00 175.52 176.33 2q5k n GLY 27 N -0.33 -0.94 3.58 5.82 0.00 -1.26 -4.80 105.19 107.26 2q5k n GLY 27 Ca -0.01 -0.25 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 2q5k n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2q5k s ALA 28 N -2.39 3.35 0.21 4.61 0.00 -0.69 -4.98 121.76 121.87 2q5k s ALA 28 Ca 0.32 -0.88 -0.06 0.00 0.00 0.00 0.00 51.96 51.34 2q5k s ALA 28 Cb 0.20 -2.02 0.17 0.00 0.00 0.00 0.00 23.12 21.47 2q5k s ALA 28 CO 0.45 -0.07 1.66 -0.44 0.00 0.00 0.00 175.76 177.36 2q5k h ASP 29 N 7.28 0.90 -3.69 0.00 3.32 -1.87 0.14 116.42 122.50 2q5k h ASP 29 Ca -0.37 -0.27 -0.50 0.00 0.02 0.00 0.00 57.03 55.91 2q5k h ASP 29 Cb 1.17 -0.24 -0.14 0.00 0.22 0.00 0.00 39.33 40.34 2q5k h ASP 29 CO 0.65 1.01 -0.55 -1.81 -1.72 0.00 0.00 179.24 176.83 2q5k s ASP 30 N -6.66 2.30 -0.19 6.45 1.11 -1.26 -2.62 116.67 115.81 2q5k s ASP 30 Ca -0.10 -1.58 -0.07 0.00 0.18 0.00 0.00 52.55 50.97 2q5k s ASP 30 Cb 0.14 0.36 -0.04 0.00 1.07 0.00 0.00 42.92 44.44 2q5k s ASP 30 CO 0.84 -0.86 0.06 -0.89 1.18 0.00 0.00 175.17 175.50 2q5k s THR 31 N -3.36 4.69 -0.05 -1.27 2.01 -1.26 -3.40 115.64 113.00 2q5k s THR 31 Ca 0.30 -0.07 0.02 0.00 0.31 0.00 0.00 61.69 62.26 2q5k s THR 31 Cb 0.04 -3.12 0.01 0.00 0.01 0.00 0.00 72.50 69.44 2q5k s THR 31 CO 0.16 0.44 -0.10 0.54 -0.69 0.00 0.00 174.62 174.97 2q5k s VAL 32 N 0.56 0.90 0.09 3.82 0.11 -0.55 -0.63 120.40 124.68 2q5k s VAL 32 Ca 0.03 -0.37 0.09 0.00 -2.93 0.00 0.00 61.98 58.80 2q5k s VAL 32 Cb -0.13 -0.82 -0.03 0.00 -1.53 0.00 0.00 36.38 33.86 2q5k s VAL 32 CO 0.01 0.29 -0.24 -0.76 -3.33 0.00 0.00 175.10 171.07 2q5k s LEU 33 N 0.52 2.25 0.53 2.54 1.43 -0.30 -0.30 118.68 125.35 2q5k s LEU 33 Ca -0.09 -0.65 -0.06 0.00 -1.03 0.00 0.00 54.13 52.29 2q5k s LEU 33 Cb -0.13 -1.12 -0.03 0.00 0.03 0.00 0.00 46.19 44.95 2q5k s LEU 33 CO 0.02 0.17 0.86 -1.83 0.23 0.00 0.00 176.35 175.79 2q5k s GLU 34 N -1.66 3.44 -0.39 1.70 -1.05 -1.24 -1.77 118.70 117.73 2q5k s GLU 34 Ca 0.11 0.27 -0.34 0.00 -0.15 0.00 0.00 54.97 54.86 2q5k s GLU 34 Cb -0.10 -2.30 0.05 0.00 -0.44 0.00 0.00 34.13 31.35 2q5k s GLU 34 CO 0.04 -0.37 0.57 0.39 0.95 0.00 0.00 175.26 176.84 2q5k n GLU 35 N -2.42 -1.64 -3.64 -4.83 1.02 -1.26 -4.88 120.64 102.98 2q5k n GLU 35 Ca 0.02 1.20 -0.10 0.00 -0.02 0.00 0.00 57.16 58.27 2q5k n GLU 35 Cb 0.55 -1.70 -0.07 0.00 -0.02 0.00 0.00 31.44 30.20 2q5k n GLU 35 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2q5k s MET 36 N -2.11 0.74 -1.31 3.49 0.23 -1.26 -5.09 119.30 113.99 2q5k s MET 36 Ca 0.33 1.09 -0.15 0.00 -1.03 0.00 0.00 55.69 55.93 2q5k s MET 36 Cb -0.03 0.24 0.10 0.00 -1.53 0.00 0.00 34.83 33.61 2q5k s MET 36 CO 0.75 -0.13 1.78 0.09 -2.03 0.00 0.00 175.02 175.49 2q5k n ASN 37 N 3.63 4.81 -4.77 -1.18 4.13 -1.26 -4.99 115.26 115.63 2q5k n ASN 37 Ca -0.18 -2.95 -0.33 0.00 1.68 0.00 0.00 54.58 52.81 2q5k n ASN 37 Cb 0.57 -1.65 0.04 0.00 -1.54 0.00 0.00 39.78 37.20 2q5k n ASN 37 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2q5k s LEU 38 N 2.50 3.45 0.48 3.41 1.43 -1.26 -5.02 118.68 123.66 2q5k s LEU 38 Ca 0.48 2.01 -0.11 0.00 -1.03 0.00 0.00 54.13 55.49 2q5k s LEU 38 Cb 0.05 -4.55 -0.06 0.00 0.03 0.00 0.00 46.19 41.66 2q5k s LEU 38 CO 0.01 -1.54 0.85 -2.16 0.23 0.00 0.00 176.35 173.74 2q5k s PRO 39 N -3.98 3.73 0.00 1.29 0.04 -1.26 -5.00 135.00 129.83 2q5k s PRO 39 Ca 0.68 0.55 0.00 0.00 0.04 0.00 0.00 61.00 62.26 2q5k s PRO 39 Cb -0.21 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 32.04 2q5k s PRO 39 CO 0.39 -0.20 0.00 0.41 0.04 0.00 0.00 177.00 177.64 2q5k n GLY 40 N -1.78 -4.23 3.75 0.56 0.00 -1.26 -4.98 105.19 97.25 2q5k n GLY 40 Ca 0.03 -2.08 -0.35 0.00 0.00 0.00 0.00 46.02 43.62 2q5k n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2q5k s LYS 41 N -0.98 2.80 0.12 1.61 0.00 -1.26 -5.06 119.74 116.97 2q5k s LYS 41 Ca 0.00 1.67 -0.07 0.00 0.00 0.00 0.00 55.97 57.57 2q5k s LYS 41 Cb 0.00 -1.92 -0.02 0.00 0.00 0.00 0.00 37.83 35.89 2q5k s LYS 41 CO 0.00 -1.30 0.18 1.67 0.00 0.00 0.00 175.35 175.89 2q5k s TRP 42 N -1.89 0.40 0.04 1.78 1.48 -1.26 -4.56 118.94 114.93 2q5k s TRP 42 Ca 0.73 -0.81 0.04 0.00 -1.06 0.00 0.00 56.10 55.00 2q5k s TRP 42 Cb -0.27 -0.17 -0.02 0.00 -1.16 0.00 0.00 33.47 31.86 2q5k s TRP 42 CO 0.37 -0.58 -0.12 -1.59 -4.06 0.00 0.00 176.95 170.97 2q5k s LYS 43 N -3.94 0.78 0.58 3.25 -2.85 -1.03 -4.92 119.74 111.61 2q5k s LYS 43 Ca 0.13 -0.73 -0.19 0.00 -1.00 0.00 0.00 55.97 54.18 2q5k s LYS 43 Cb 0.05 -0.73 -0.04 0.00 -2.06 0.00 0.00 37.83 35.05 2q5k s LYS 43 CO -0.05 0.17 1.20 -2.14 0.10 0.00 0.00 175.35 174.63 2q5k s PRO 44 N -1.22 3.05 0.03 1.78 0.02 -1.26 -0.70 135.00 136.71 2q5k s PRO 44 Ca -0.01 1.80 -0.21 0.00 0.02 0.00 0.00 61.00 62.60 2q5k s PRO 44 Cb -0.08 -1.96 0.05 0.00 0.02 0.00 0.00 34.50 32.53 2q5k s PRO 44 CO 0.01 -1.14 0.48 0.21 -0.33 0.00 0.00 177.00 176.24 2q5k s LYS 45 N -3.30 0.97 -0.12 5.54 2.20 -0.55 -4.86 119.74 119.62 2q5k s LYS 45 Ca 0.76 -0.22 0.01 0.00 -0.36 0.00 0.00 55.97 56.16 2q5k s LYS 45 Cb -0.30 0.44 -0.01 0.00 -1.51 0.00 0.00 37.83 36.45 2q5k s LYS 45 CO 0.32 -0.33 -0.15 -1.64 -0.36 0.00 0.00 175.35 173.19 2q5k s MET 46 N -2.22 3.28 0.04 4.03 -1.94 -1.26 -0.68 119.30 120.55 2q5k s MET 46 Ca -0.07 -0.72 0.09 0.00 -1.71 0.00 0.00 55.69 53.28 2q5k s MET 46 Cb -0.01 -2.56 -0.03 0.00 2.01 0.00 0.00 34.83 34.25 2q5k s MET 46 CO -0.00 0.23 -0.25 0.96 -0.01 0.00 0.00 175.02 175.95 2q5k s ILE 47 N 0.29 2.03 -0.12 2.53 -4.36 -0.66 -4.97 121.20 115.93 2q5k s ILE 47 Ca -0.11 -1.34 -0.10 0.00 -0.26 0.00 0.00 60.65 58.83 2q5k s ILE 47 Cb -0.16 -1.74 -0.05 0.00 1.25 0.00 0.00 42.46 41.77 2q5k s ILE 47 CO 0.06 0.33 0.21 -0.83 0.24 0.00 0.00 174.94 174.95 2q5k s GLY 48 N -1.22 2.20 0.00 6.27 0.00 -1.26 -1.39 107.32 111.93 2q5k s GLY 48 Ca 0.11 -0.54 0.00 0.00 0.00 0.00 0.00 44.72 44.29 2q5k s GLY 48 CO 0.02 -0.03 0.00 0.61 0.00 0.00 0.00 173.10 173.70 2q5k n GLY 49 N 2.52 6.30 0.19 0.20 0.00 0.73 -4.99 105.19 110.14 2q5k n GLY 49 Ca -0.17 -1.99 0.04 0.00 0.00 0.00 0.00 46.02 43.90 2q5k n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2q5k h ILE 50 N 0.35 1.08 -0.01 -0.61 2.10 -2.03 -3.17 117.51 115.22 2q5k h ILE 50 Ca 0.00 -1.35 0.00 0.00 1.08 0.00 0.00 64.86 64.59 2q5k h ILE 50 Cb 0.00 1.77 0.00 0.00 -1.09 0.00 0.00 36.82 37.50 2q5k h ILE 50 CO 0.00 0.36 -0.72 0.61 -1.08 0.00 0.00 178.15 177.32 2q5k n GLY 51 N -0.21 -0.48 0.00 8.18 0.00 -1.26 -5.09 105.19 106.34 2q5k n GLY 51 Ca -0.01 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.44 2q5k n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2q5k n GLY 52 N 1.41 0.46 3.66 -0.02 0.00 -1.20 -5.13 105.19 104.37 2q5k n GLY 52 Ca 0.06 -1.47 -0.29 0.00 0.00 0.00 0.00 46.02 44.32 2q5k n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2q5k s PHE 53 N -3.71 2.89 0.19 1.61 0.40 -1.26 -0.19 117.98 117.91 2q5k s PHE 53 Ca 0.00 -0.09 0.10 0.00 -0.60 0.00 0.00 56.93 56.34 2q5k s PHE 53 Cb 0.00 -1.46 -0.04 0.00 0.51 0.00 0.00 43.02 42.02 2q5k s PHE 53 CO 0.00 0.48 -0.21 0.96 0.70 0.00 0.00 175.22 177.15 2q5k s ILE 54 N -1.44 2.13 -0.03 0.64 -4.36 -0.48 -4.97 121.20 112.68 2q5k s ILE 54 Ca 0.26 -2.02 -0.18 0.00 -0.26 0.00 0.00 60.65 58.45 2q5k s ILE 54 Cb -0.11 -2.02 -0.05 0.00 1.25 0.00 0.00 42.46 41.53 2q5k s ILE 54 CO 0.18 -0.23 0.51 -0.75 0.24 0.00 0.00 174.94 174.88 2q5k s LYS 55 N -2.80 4.22 0.24 0.37 2.20 -1.26 -1.65 119.74 121.05 2q5k s LYS 55 Ca 0.19 0.56 0.02 0.00 -0.36 0.00 0.00 55.97 56.38 2q5k s LYS 55 Cb -0.07 -3.33 -0.05 0.00 -1.51 0.00 0.00 37.83 32.87 2q5k s LYS 55 CO 0.09 0.40 0.06 0.14 -0.36 0.00 0.00 175.35 175.68 2q5k s VAL 56 N -0.23 0.68 -0.16 4.02 -7.23 0.15 -4.42 120.40 113.21 2q5k s VAL 56 Ca 0.27 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.39 2q5k s VAL 56 Cb -0.17 -2.49 -0.03 0.00 0.56 0.00 0.00 36.38 34.25 2q5k s VAL 56 CO 0.14 -0.15 -0.01 -0.13 -0.31 0.00 0.00 175.10 174.64 2q5k s ARG 57 N -3.98 3.76 -0.35 4.82 0.52 0.08 -1.48 118.95 122.33 2q5k s ARG 57 Ca 0.33 -0.47 -0.13 0.00 -0.52 0.00 0.00 55.73 54.95 2q5k s ARG 57 Cb 0.07 -3.00 -0.01 0.00 0.52 0.00 0.00 34.95 32.53 2q5k s ARG 57 CO 0.11 0.26 0.26 -1.14 0.02 0.00 0.00 175.30 174.80 2q5k s GLN 58 N 0.34 3.47 -0.15 3.54 0.74 0.13 -0.62 119.66 127.11 2q5k s GLN 58 Ca -0.02 -0.64 -0.06 0.00 0.05 0.00 0.00 55.36 54.69 2q5k s GLN 58 Cb -0.14 -3.82 -0.04 0.00 1.10 0.00 0.00 33.01 30.12 2q5k s GLN 58 CO 0.02 -0.47 0.04 0.71 -0.55 0.00 0.00 175.29 175.04 2q5k s TYR 59 N 1.75 3.22 0.25 1.67 1.51 -0.45 -2.45 117.35 122.85 2q5k s TYR 59 Ca 0.07 0.07 0.06 0.00 -1.01 0.00 0.00 57.07 56.26 2q5k s TYR 59 Cb -0.17 -1.98 -0.03 0.00 -0.11 0.00 0.00 41.96 39.66 2q5k s TYR 59 CO 0.11 0.24 0.28 -0.51 -1.11 0.00 0.00 175.55 174.55 2q5k s ASP 60 N -0.01 5.91 -1.24 2.29 1.01 -1.26 -0.55 116.67 122.82 2q5k s ASP 60 Ca 0.05 -0.09 -0.15 0.00 0.71 0.00 0.00 52.55 53.06 2q5k s ASP 60 Cb -0.12 -1.63 0.00 0.00 1.01 0.00 0.00 42.92 42.18 2q5k s ASP 60 CO 0.01 -0.05 0.64 0.00 0.21 0.00 0.00 175.17 175.98 2q5k n GLN 61 N -1.29 -1.83 -3.76 8.23 1.13 -1.14 -4.88 117.38 113.84 2q5k n GLN 61 Ca -0.08 0.39 -0.37 0.00 -1.94 0.00 0.00 57.00 55.00 2q5k n GLN 61 Cb 0.57 -4.07 -0.12 0.00 0.11 0.00 0.00 30.24 26.74 2q5k n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2q5k s ILE 62 N -3.65 4.63 0.19 5.09 -1.09 0.36 -4.73 121.20 121.99 2q5k s ILE 62 Ca 0.31 -0.07 -0.30 0.00 -2.23 0.00 0.00 60.65 58.36 2q5k s ILE 62 Cb -0.12 -3.16 -0.08 0.00 -1.58 0.00 0.00 42.46 37.51 2q5k s ILE 62 CO 0.89 0.34 1.28 -2.84 -1.23 0.00 0.00 174.94 173.38 2q5k s PRO 63 N 1.45 4.41 -0.02 2.79 0.02 -1.26 -1.93 135.00 140.46 2q5k s PRO 63 Ca 0.06 2.01 -0.03 0.00 0.02 0.00 0.00 61.00 63.06 2q5k s PRO 63 Cb -0.15 -3.21 0.00 0.00 0.02 0.00 0.00 34.50 31.16 2q5k s PRO 63 CO 0.05 -0.23 0.07 -1.50 -0.33 0.00 0.00 177.00 175.06 2q5k s ILE 64 N 0.17 0.02 -0.14 2.83 2.07 -0.71 -4.53 121.20 120.91 2q5k s ILE 64 Ca 0.56 -0.19 -0.01 0.00 -1.41 0.00 0.00 60.65 59.61 2q5k s ILE 64 Cb -0.35 -0.16 -0.02 0.00 0.13 0.00 0.00 42.46 42.06 2q5k s ILE 64 CO 0.37 -0.10 -0.10 -0.70 -1.91 0.00 0.00 174.94 172.50 2q5k s GLU 65 N -0.29 3.46 -0.18 3.50 2.12 -0.30 -0.88 118.70 126.13 2q5k s GLU 65 Ca -0.04 -0.64 -0.01 0.00 0.36 0.00 0.00 54.97 54.64 2q5k s GLU 65 Cb -0.02 -2.72 0.05 0.00 0.26 0.00 0.00 34.13 31.70 2q5k s GLU 65 CO 0.00 0.20 -0.02 0.42 -0.54 0.00 0.00 175.26 175.32 2q5k s ILE 66 N 0.40 0.97 -1.45 -3.70 1.01 -0.28 -0.68 121.20 117.48 2q5k s ILE 66 Ca -0.08 -0.67 -0.07 0.00 0.00 0.00 0.00 60.65 59.83 2q5k s ILE 66 Cb -0.15 -1.26 0.05 0.00 0.01 0.00 0.00 42.46 41.11 2q5k s ILE 66 CO 0.05 0.00 0.77 0.00 0.00 0.00 0.00 174.94 175.75 2q5k n GLY 68 N -1.68 0.37 3.50 0.00 0.00 -1.26 -4.99 105.19 101.12 2q5k n GLY 68 Ca -0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 2q5k n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2q5k s HIS 69 N -1.89 3.12 0.29 1.61 4.02 -0.33 -5.08 115.29 117.03 2q5k s HIS 69 Ca 0.00 -0.27 -0.29 0.00 1.02 0.00 0.00 55.06 55.52 2q5k s HIS 69 Cb 0.00 -2.20 -0.09 0.00 -1.02 0.00 0.00 32.58 29.27 2q5k s HIS 69 CO 0.00 -0.22 1.03 -1.59 1.02 0.00 0.00 174.74 174.98 2q5k s LYS 70 N 1.29 4.63 0.24 1.40 0.00 -1.26 -1.13 119.74 124.91 2q5k s LYS 70 Ca 0.05 1.63 -0.07 0.00 0.00 0.00 0.00 55.97 57.57 2q5k s LYS 70 Cb -0.15 -3.09 -0.02 0.00 0.00 0.00 0.00 37.83 34.58 2q5k s LYS 70 CO 0.04 0.26 0.35 0.00 0.00 0.00 0.00 175.35 176.00 2q5k s ALA 71 N -1.28 0.39 -0.23 0.59 0.00 -0.05 -4.83 121.76 116.35 2q5k s ALA 71 Ca 0.46 -1.25 -0.17 0.00 0.00 0.00 0.00 51.96 50.99 2q5k s ALA 71 Cb -0.28 1.20 0.06 0.00 0.00 0.00 0.00 23.12 24.10 2q5k s ALA 71 CO 0.35 -0.75 0.59 -1.50 0.00 0.00 0.00 175.76 174.44 2q5k s ILE 72 N -3.95 -0.00 -3.20 0.00 2.07 -1.26 -1.73 121.20 113.12 2q5k s ILE 72 Ca 0.29 0.02 0.00 0.00 -1.41 0.00 0.00 60.65 59.55 2q5k s ILE 72 Cb 0.02 -0.83 0.00 0.00 0.13 0.00 0.00 42.46 41.78 2q5k s ILE 72 CO 0.12 0.01 0.00 0.61 -1.91 0.00 0.00 174.94 173.76 2q5k n GLY 73 N 3.42 -0.66 3.73 1.50 0.00 -0.81 -4.84 105.19 107.54 2q5k n GLY 73 Ca -0.17 -0.95 -0.41 0.00 0.00 0.00 0.00 46.02 44.48 2q5k n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2q5k s THR 74 N -3.00 4.12 -0.10 2.61 2.01 -1.26 -0.49 115.64 119.53 2q5k s THR 74 Ca 0.00 1.76 0.01 0.00 0.31 0.00 0.00 61.69 63.77 2q5k s THR 74 Cb 0.00 -4.13 0.02 0.00 0.01 0.00 0.00 72.50 68.40 2q5k s THR 74 CO 0.00 0.27 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.42 2q5k s VAL 75 N -0.02 1.10 0.05 3.82 1.01 0.29 -4.55 120.40 122.09 2q5k s VAL 75 Ca 0.49 -0.38 -0.10 0.00 0.00 0.00 0.00 61.98 62.00 2q5k s VAL 75 Cb -0.27 -1.07 -0.06 0.00 0.00 0.00 0.00 36.38 34.99 2q5k s VAL 75 CO 0.33 0.37 0.37 -0.76 0.00 0.00 0.00 175.10 175.41 2q5k s LEU 76 N 1.31 4.38 -0.11 3.92 1.43 0.19 -1.33 118.68 128.46 2q5k s LEU 76 Ca -0.02 0.78 0.02 0.00 -1.03 0.00 0.00 54.13 53.87 2q5k s LEU 76 Cb -0.14 -2.84 0.01 0.00 0.03 0.00 0.00 46.19 43.26 2q5k s LEU 76 CO -0.04 0.22 -0.17 -0.69 0.23 0.00 0.00 176.35 175.90 2q5k s VAL 77 N -1.32 1.63 -0.01 -1.59 1.01 0.21 -1.15 120.40 119.18 2q5k s VAL 77 Ca 0.30 -0.72 -0.15 0.00 0.00 0.00 0.00 61.98 61.41 2q5k s VAL 77 Cb -0.14 -1.47 0.05 0.00 0.00 0.00 0.00 36.38 34.82 2q5k s VAL 77 CO 0.16 0.47 0.68 0.61 0.00 0.00 0.00 175.10 177.02 2q5k n GLY 78 N 4.16 0.42 2.34 4.51 0.00 -0.73 -0.74 105.19 115.16 2q5k n GLY 78 Ca -0.19 -0.95 -0.33 0.00 0.00 0.00 0.00 46.02 44.55 2q5k n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2q5k n PRO 79 N -0.49 3.22 -2.79 1.61 -0.04 -1.26 -3.71 135.00 131.54 2q5k n PRO 79 Ca 0.02 -1.94 -0.41 0.00 -0.04 0.00 0.00 63.50 61.14 2q5k n PRO 79 Cb 0.31 -2.66 -0.04 0.00 -0.04 0.00 0.00 33.50 31.07 2q5k n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2q5k s THR 80 N 2.32 4.61 0.41 0.52 -1.32 -1.26 -4.95 115.64 115.97 2q5k s THR 80 Ca 0.63 1.96 0.27 0.00 -1.21 0.00 0.00 61.69 63.34 2q5k s THR 80 Cb 0.18 -4.27 0.29 0.00 -1.51 0.00 0.00 72.50 67.19 2q5k s THR 80 CO -0.05 0.31 2.07 -0.65 -2.21 0.00 0.00 174.62 174.09 2q5k h PRO 81 N 5.77 0.00 -4.13 7.08 0.11 -1.99 -3.43 132.00 135.41 2q5k h PRO 81 Ca -0.43 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.35 2q5k h PRO 81 Cb 1.21 0.00 -0.30 0.00 0.11 0.00 0.00 31.00 32.02 2q5k h PRO 81 CO 0.72 0.12 -0.75 0.14 -0.21 0.00 0.00 178.00 178.01 2q5k s VAL 82 N -4.20 0.36 0.20 3.15 -7.23 -1.26 -5.11 120.40 106.31 2q5k s VAL 82 Ca -0.03 -0.14 -0.31 0.00 -1.81 0.00 0.00 61.98 59.70 2q5k s VAL 82 Cb 0.13 -0.34 -0.10 0.00 0.56 0.00 0.00 36.38 36.63 2q5k s VAL 82 CO 0.58 0.13 1.45 0.20 -0.31 0.00 0.00 175.10 177.16 2q5k s ASN 83 N 0.23 6.69 -0.09 4.85 0.01 -1.26 -4.90 114.94 120.47 2q5k s ASN 83 Ca -0.02 2.57 0.02 0.00 -0.71 0.00 0.00 52.86 54.72 2q5k s ASN 83 Cb -0.06 -2.61 0.01 0.00 0.41 0.00 0.00 41.25 39.01 2q5k s ASN 83 CO -0.00 -0.71 -0.13 -0.63 -1.51 0.00 0.00 177.10 174.12 2q5k s ILE 84 N 0.47 1.26 -0.37 0.60 1.01 0.59 -0.56 121.20 124.21 2q5k s ILE 84 Ca 0.63 -0.52 -0.15 0.00 0.00 0.00 0.00 60.65 60.60 2q5k s ILE 84 Cb -0.41 -1.16 -0.00 0.00 0.01 0.00 0.00 42.46 40.89 2q5k s ILE 84 CO 0.38 0.39 0.36 -0.63 0.00 0.00 0.00 174.94 175.44 2q5k s ILE 85 N 0.89 5.17 0.50 2.92 -1.09 0.29 -1.49 121.20 128.38 2q5k s ILE 85 Ca -0.10 -0.12 0.05 0.00 -2.23 0.00 0.00 60.65 58.24 2q5k s ILE 85 Cb -0.15 -3.87 0.09 0.00 -1.58 0.00 0.00 42.46 36.94 2q5k s ILE 85 CO 0.01 -0.18 0.68 0.61 -1.23 0.00 0.00 174.94 174.83 2q5k n GLY 86 N 5.02 1.46 0.34 6.18 0.00 -1.22 -1.28 105.19 115.70 2q5k n GLY 86 Ca -0.09 -2.13 0.11 0.00 0.00 0.00 0.00 46.02 43.90 2q5k n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2q5k h ARG 87 N 0.00 0.40 -0.26 1.61 3.08 -0.69 -1.06 114.38 117.46 2q5k h ARG 87 Ca -0.23 -0.02 0.07 0.00 0.07 0.00 0.00 59.98 59.87 2q5k h ARG 87 Cb 0.96 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.91 2q5k h ARG 87 CO 0.29 0.26 0.19 -2.95 -1.07 0.00 0.00 179.97 176.70 2q5k h ASN 88 N 0.41 0.00 0.00 7.04 -1.07 -1.77 -1.97 115.58 118.22 2q5k h ASN 88 Ca 0.24 0.00 -0.31 0.00 0.07 0.00 0.00 56.30 56.30 2q5k h ASN 88 Cb 0.43 0.00 -0.06 0.00 -2.07 0.00 0.00 38.32 36.62 2q5k h ASN 88 CO -0.06 0.00 -2.18 0.18 0.07 0.00 0.00 177.43 175.44 2q5k n LEU 89 N -4.40 1.02 -0.30 6.14 4.77 -0.73 -4.27 117.00 119.23 2q5k n LEU 89 Ca 0.03 -0.04 0.04 0.00 -0.03 0.00 0.00 56.01 56.01 2q5k n LEU 89 Cb 0.34 0.02 0.18 0.00 -2.33 0.00 0.00 43.42 41.63 2q5k n LEU 89 CO 0.35 0.57 1.15 -0.07 -1.33 0.00 0.00 177.39 178.05 2q5k h LEU 90 N 0.00 0.69 -0.72 2.23 3.38 -1.04 -1.49 115.31 118.36 2q5k h LEU 90 Ca -0.47 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.53 2q5k h LEU 90 Cb 1.94 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 42.58 2q5k h LEU 90 CO -0.01 0.38 0.36 0.71 0.09 0.00 0.00 178.44 179.97 2q5k h THR 91 N 0.80 1.23 0.00 0.22 1.35 -1.59 -1.26 112.91 113.67 2q5k h THR 91 Ca 0.42 -0.63 -0.03 0.00 -0.55 0.00 0.00 66.41 65.61 2q5k h THR 91 Cb 0.41 0.32 -0.00 0.00 -1.73 0.00 0.00 68.15 67.15 2q5k h THR 91 CO -0.26 0.27 -0.14 1.56 -0.25 0.00 0.00 175.52 176.70 2q5k h GLN 92 N 1.01 0.00 -0.35 4.72 4.20 -1.47 -1.61 115.11 121.60 2q5k h GLN 92 Ca 0.25 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.96 2q5k h GLN 92 Cb 0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.88 2q5k h GLN 92 CO -0.03 0.14 0.00 0.44 -0.67 0.00 0.00 178.83 178.70 2q5k n ILE 93 N -4.35 0.46 -1.74 2.54 -5.35 -0.93 -4.95 119.36 105.05 2q5k n ILE 93 Ca -0.03 -0.61 0.00 0.00 -0.27 0.00 0.00 62.75 61.84 2q5k n ILE 93 Cb 0.21 0.64 0.00 0.00 -1.74 0.00 0.00 39.64 38.75 2q5k n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2q5k n GLY 94 N 1.35 0.52 3.72 3.28 0.00 -0.61 -5.02 105.19 108.43 2q5k n GLY 94 Ca 0.18 -0.82 -0.40 0.00 0.00 0.00 0.00 46.02 44.97 2q5k n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2q5k s THR 96 N 0.75 1.30 -0.02 0.00 -4.23 -1.26 -4.62 115.64 107.56 2q5k s THR 96 Ca 0.41 -2.10 -0.15 0.00 -1.18 0.00 0.00 61.69 58.67 2q5k s THR 96 Cb -0.19 -1.95 -0.05 0.00 1.34 0.00 0.00 72.50 71.64 2q5k s THR 96 CO 0.21 -0.66 0.42 -0.76 -0.54 0.00 0.00 174.62 173.29 2q5k s LEU 97 N -3.22 4.44 -0.04 4.79 1.43 -1.26 -5.09 118.68 119.72 2q5k s LEU 97 Ca 0.19 0.94 -0.00 0.00 -1.03 0.00 0.00 54.13 54.24 2q5k s LEU 97 Cb 0.02 -2.61 0.03 0.00 0.03 0.00 0.00 46.19 43.66 2q5k s LEU 97 CO 0.03 0.27 0.00 0.20 0.23 0.00 0.00 176.35 177.08 2q5k s ASN 98 N -0.78 0.86 0.00 2.29 -0.87 -1.26 -5.30 114.94 109.89 2q5k s ASN 98 Ca 0.24 -0.04 0.00 0.00 -1.57 0.00 0.00 52.86 51.49 2q5k s ASN 98 Cb -0.16 -0.30 0.00 0.00 -0.02 0.00 0.00 41.25 40.77 2q5k s ASN 98 CO 0.13 -0.13 0.00 2.22 -2.57 0.00 0.00 177.10 176.75