#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q64 s GLN 2 N 0.00 3.15 -0.10 -0.52 0.74 -1.26 -5.11 119.66 116.56 2q64 s GLN 2 Ca 0.00 -0.58 -0.03 0.00 0.05 0.00 0.00 55.36 54.80 2q64 s GLN 2 Cb 0.00 -2.87 0.04 0.00 1.10 0.00 0.00 33.01 31.28 2q64 s GLN 2 CO 0.00 0.58 0.06 0.42 -0.55 0.00 0.00 175.29 175.80 2q64 s ILE 3 N -1.47 -0.01 0.94 -2.34 1.01 -1.26 -5.15 121.20 112.93 2q64 s ILE 3 Ca 0.32 0.12 -0.14 0.00 0.00 0.00 0.00 60.65 60.95 2q64 s ILE 3 Cb -0.12 -0.40 0.16 0.00 0.01 0.00 0.00 42.46 42.11 2q64 s ILE 3 CO 0.25 -0.00 1.17 0.42 0.00 0.00 0.00 174.94 176.78 2q64 s THR 4 N 2.12 1.95 -0.17 2.92 -4.23 -1.26 -5.03 115.64 111.94 2q64 s THR 4 Ca 0.04 0.00 0.16 0.00 -1.18 0.00 0.00 61.69 60.70 2q64 s THR 4 Cb -0.14 -2.79 0.37 0.00 1.34 0.00 0.00 72.50 71.28 2q64 s THR 4 CO -0.06 0.00 1.22 0.18 -0.54 0.00 0.00 174.62 175.43 2q64 n LEU 5 N -3.84 2.75 0.19 4.79 4.77 -1.26 -4.60 117.00 119.80 2q64 n LEU 5 Ca 0.09 -3.36 0.06 0.00 -0.03 0.00 0.00 56.01 52.77 2q64 n LEU 5 Cb 0.60 -0.49 0.37 0.00 -2.33 0.00 0.00 43.42 41.57 2q64 n LEU 5 CO 0.54 0.94 0.71 -0.50 -1.33 0.00 0.00 177.39 177.74 2q64 h TRP 6 N 0.55 0.00 -2.18 -1.77 4.06 -2.07 -3.44 115.95 111.10 2q64 h TRP 6 Ca 0.02 0.00 -0.58 0.00 2.06 0.00 0.00 58.89 60.39 2q64 h TRP 6 Cb 1.10 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.12 2q64 h TRP 6 CO 0.34 0.36 -0.67 -0.65 -3.56 0.00 0.00 178.44 174.26 2q64 s GLN 7 N -3.75 1.73 0.18 0.49 -1.52 -1.26 -5.11 119.66 110.42 2q64 s GLN 7 Ca -0.01 -1.90 -0.33 0.00 -1.95 0.00 0.00 55.36 51.17 2q64 s GLN 7 Cb 0.12 -1.50 -0.13 0.00 -0.22 0.00 0.00 33.01 31.27 2q64 s GLN 7 CO 0.69 0.09 1.61 0.54 -0.25 0.00 0.00 175.29 177.97 2q64 n ARG 8 N -0.73 2.31 -2.31 2.91 1.74 -1.26 -4.86 116.66 114.46 2q64 n ARG 8 Ca -0.05 0.83 -0.35 0.00 -0.77 0.00 0.00 57.85 57.51 2q64 n ARG 8 Cb 0.64 -2.62 -0.03 0.00 -1.02 0.00 0.00 32.46 29.43 2q64 n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2q64 s PRO 9 N 0.92 3.18 -0.15 5.56 0.04 -1.26 -4.95 135.00 138.34 2q64 s PRO 9 Ca 0.77 -1.45 -0.15 0.00 0.04 0.00 0.00 61.00 60.21 2q64 s PRO 9 Cb -0.63 -5.36 -0.04 0.00 0.04 0.00 0.00 34.50 28.50 2q64 s PRO 9 CO 0.37 -3.13 0.35 -0.51 0.04 0.00 0.00 177.00 174.12 2q64 s LEU 10 N 7.81 4.25 0.26 -3.56 1.43 -1.26 -1.28 118.68 126.33 2q64 s LEU 10 Ca 0.61 0.60 0.09 0.00 -1.03 0.00 0.00 54.13 54.40 2q64 s LEU 10 Cb 0.01 -2.47 -0.05 0.00 0.03 0.00 0.00 46.19 43.70 2q64 s LEU 10 CO 0.09 0.07 -0.12 0.68 0.23 0.00 0.00 176.35 177.29 2q64 s VAL 11 N 0.51 1.94 0.07 -1.59 -7.23 0.48 -4.93 120.40 109.65 2q64 s VAL 11 Ca 0.19 -2.23 -0.23 0.00 -1.81 0.00 0.00 61.98 57.91 2q64 s VAL 11 Cb -0.14 -2.31 -0.06 0.00 0.56 0.00 0.00 36.38 34.43 2q64 s VAL 11 CO 0.06 -0.41 0.68 -0.89 -0.31 0.00 0.00 175.10 174.23 2q64 s THR 12 N -2.84 4.68 0.04 5.32 2.01 -1.26 -0.68 115.64 122.91 2q64 s THR 12 Ca 0.28 1.46 0.07 0.00 0.31 0.00 0.00 61.69 63.81 2q64 s THR 12 Cb 0.00 -4.03 -0.02 0.00 0.01 0.00 0.00 72.50 68.46 2q64 s THR 12 CO 0.11 0.46 -0.21 0.27 -0.69 0.00 0.00 174.62 174.56 2q64 s ILE 13 N -0.61 1.71 -0.26 1.82 -4.36 0.10 -1.39 121.20 118.21 2q64 s ILE 13 Ca 0.34 -1.18 -0.06 0.00 -0.26 0.00 0.00 60.65 59.49 2q64 s ILE 13 Cb -0.20 -1.48 -0.01 0.00 1.25 0.00 0.00 42.46 42.02 2q64 s ILE 13 CO 0.21 0.26 0.05 -0.75 0.24 0.00 0.00 174.94 174.95 2q64 s LYS 14 N -1.09 3.37 -0.02 0.37 2.20 -0.45 -0.60 119.74 123.52 2q64 s LYS 14 Ca 0.08 -0.66 0.01 0.00 -0.36 0.00 0.00 55.97 55.03 2q64 s LYS 14 Cb -0.09 -3.27 0.01 0.00 -1.51 0.00 0.00 37.83 32.97 2q64 s LYS 14 CO 0.01 -0.29 -0.01 -1.50 -0.36 0.00 0.00 175.35 173.20 2q64 s ILE 15 N 1.54 0.20 -1.57 5.43 2.07 -0.30 -1.06 121.20 127.51 2q64 s ILE 15 Ca 0.05 -0.01 -0.13 0.00 -1.41 0.00 0.00 60.65 59.15 2q64 s ILE 15 Cb -0.16 -0.24 0.10 0.00 0.13 0.00 0.00 42.46 42.29 2q64 s ILE 15 CO 0.02 0.11 0.82 0.61 -1.91 0.00 0.00 174.94 174.59 2q64 n GLY 16 N 3.63 -0.43 3.25 1.50 0.00 -1.26 -1.15 105.19 110.73 2q64 n GLY 16 Ca -0.21 0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2q64 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2q64 n GLY 17 N -1.61 1.62 3.73 -0.02 0.00 -1.26 -5.02 105.19 102.64 2q64 n GLY 17 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 2q64 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2q64 s GLN 18 N -0.09 2.87 -0.15 1.61 -0.21 -0.30 -5.10 119.66 118.30 2q64 s GLN 18 Ca 0.00 -0.59 -0.13 0.00 0.02 0.00 0.00 55.36 54.65 2q64 s GLN 18 Cb 0.00 -2.73 -0.05 0.00 1.00 0.00 0.00 33.01 31.23 2q64 s GLN 18 CO 0.00 0.62 0.28 -0.51 -2.12 0.00 0.00 175.29 173.56 2q64 s LEU 19 N -1.77 4.27 0.08 2.90 1.43 -1.26 -1.15 118.68 123.19 2q64 s LEU 19 Ca 0.22 0.53 0.01 0.00 -1.03 0.00 0.00 54.13 53.85 2q64 s LEU 19 Cb -0.12 -2.35 -0.04 0.00 0.03 0.00 0.00 46.19 43.71 2q64 s LEU 19 CO 0.13 0.15 -0.05 -0.54 0.23 0.00 0.00 176.35 176.28 2q64 s LYS 20 N 0.19 0.74 -0.07 1.70 1.02 0.23 -4.98 119.74 118.58 2q64 s LYS 20 Ca 0.16 -1.29 -0.07 0.00 0.02 0.00 0.00 55.97 54.79 2q64 s LYS 20 Cb -0.13 -0.03 -0.04 0.00 -0.52 0.00 0.00 37.83 37.10 2q64 s LYS 20 CO 0.04 -0.06 0.20 -1.21 -0.92 0.00 0.00 175.35 173.41 2q64 s GLU 21 N -3.87 3.53 0.01 1.68 2.02 -1.26 0.00 118.70 120.81 2q64 s GLU 21 Ca 0.10 -0.07 -0.03 0.00 0.02 0.00 0.00 54.97 54.99 2q64 s GLU 21 Cb 0.06 -3.16 -0.01 0.00 0.10 0.00 0.00 34.13 31.12 2q64 s GLU 21 CO -0.07 0.73 0.04 0.00 0.02 0.00 0.00 175.26 175.99 2q64 s ALA 22 N -1.12 -0.06 -0.21 5.21 0.00 0.15 -4.42 121.76 121.32 2q64 s ALA 22 Ca 0.20 -0.41 -0.19 0.00 0.00 0.00 0.00 51.96 51.55 2q64 s ALA 22 Cb -0.13 0.14 -0.03 0.00 0.00 0.00 0.00 23.12 23.10 2q64 s ALA 22 CO 0.09 -0.19 0.57 -1.17 0.00 0.00 0.00 175.76 175.06 2q64 s LEU 23 N -1.46 4.13 -0.36 0.00 2.96 0.11 -0.38 118.68 123.67 2q64 s LEU 23 Ca -0.15 0.72 -0.29 0.00 -0.22 0.00 0.00 54.13 54.19 2q64 s LEU 23 Cb -0.09 -2.78 0.00 0.00 0.50 0.00 0.00 46.19 43.82 2q64 s LEU 23 CO -0.00 -0.24 1.41 -0.76 -1.32 0.00 0.00 176.35 175.44 2q64 s LEU 24 N 1.86 3.70 -0.42 -0.68 1.43 -0.41 -0.61 118.68 123.54 2q64 s LEU 24 Ca 0.26 1.03 0.02 0.00 -1.03 0.00 0.00 54.13 54.41 2q64 s LEU 24 Cb -0.16 -3.54 0.13 0.00 0.03 0.00 0.00 46.19 42.65 2q64 s LEU 24 CO 0.10 -1.32 0.21 -0.62 0.23 0.00 0.00 176.35 174.94 2q64 s ASP 25 N 3.70 3.88 0.54 2.29 -1.08 -0.57 -4.79 116.67 120.64 2q64 s ASP 25 Ca 0.61 -2.50 0.31 0.00 -0.52 0.00 0.00 52.55 50.46 2q64 s ASP 25 Cb -0.16 -1.14 1.48 0.00 -1.46 0.00 0.00 42.92 41.65 2q64 s ASP 25 CO 0.29 -0.29 2.05 0.71 0.52 0.00 0.00 175.17 178.45 2q64 h THR 26 N 5.56 0.31 -0.00 1.71 1.35 -1.93 -2.15 112.91 117.75 2q64 h THR 26 Ca -0.04 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 2q64 h THR 26 Cb 0.94 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 68.78 2q64 h THR 26 CO 0.51 0.08 -0.02 0.61 -0.25 0.00 0.00 175.52 176.45 2q64 n GLY 27 N -0.38 -1.28 3.58 5.82 0.00 -1.26 -4.80 105.19 106.88 2q64 n GLY 27 Ca -0.01 -0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 2q64 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2q64 s ALA 28 N -2.63 3.35 -0.03 4.61 0.00 -0.81 -4.97 121.76 121.28 2q64 s ALA 28 Ca 0.26 -0.86 0.18 0.00 0.00 0.00 0.00 51.96 51.54 2q64 s ALA 28 Cb 0.20 -1.99 0.39 0.00 0.00 0.00 0.00 23.12 21.72 2q64 s ALA 28 CO 0.48 -0.03 1.59 -0.44 0.00 0.00 0.00 175.76 177.36 2q64 h ASP 29 N 7.18 0.00 -2.27 0.00 3.32 -1.87 0.18 116.42 122.96 2q64 h ASP 29 Ca -0.37 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.09 2q64 h ASP 29 Cb 1.17 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.58 2q64 h ASP 29 CO 0.66 0.40 -0.75 0.20 -1.72 0.00 0.00 179.24 178.03 2q64 s ASN 30 N -6.39 3.51 -0.21 6.45 0.01 -1.26 -3.15 114.94 113.91 2q64 s ASN 30 Ca 0.02 -1.05 -0.12 0.00 -0.71 0.00 0.00 52.86 51.00 2q64 s ASN 30 Cb 0.09 -0.29 -0.05 0.00 0.41 0.00 0.00 41.25 41.41 2q64 s ASN 30 CO 0.71 -0.01 0.24 -0.89 -1.51 0.00 0.00 177.10 175.64 2q64 s THR 31 N -2.57 5.32 -0.09 1.60 2.01 -1.26 -2.70 115.64 117.94 2q64 s THR 31 Ca 0.30 0.38 0.02 0.00 0.31 0.00 0.00 61.69 62.70 2q64 s THR 31 Cb -0.04 -3.58 0.01 0.00 0.01 0.00 0.00 72.50 68.91 2q64 s THR 31 CO 0.14 0.34 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.58 2q64 s VAL 32 N 0.93 1.38 -0.03 3.82 1.01 -0.27 -1.13 120.40 126.10 2q64 s VAL 32 Ca 0.12 -0.58 0.06 0.00 0.00 0.00 0.00 61.98 61.58 2q64 s VAL 32 Cb -0.13 -1.26 -0.02 0.00 0.00 0.00 0.00 36.38 34.97 2q64 s VAL 32 CO 0.04 0.41 -0.22 -0.76 0.00 0.00 0.00 175.10 174.58 2q64 s LEU 33 N 0.90 2.29 0.69 3.92 1.02 0.31 -0.32 118.68 127.48 2q64 s LEU 33 Ca -0.09 -0.38 -0.17 0.00 0.02 0.00 0.00 54.13 53.52 2q64 s LEU 33 Cb -0.15 -1.42 -0.02 0.00 0.02 0.00 0.00 46.19 44.62 2q64 s LEU 33 CO 0.00 0.32 0.81 -0.62 0.02 0.00 0.00 176.35 176.89 2q64 n GLU 34 N 2.42 0.52 -1.63 1.70 1.02 -1.26 -1.08 120.64 122.34 2q64 n GLU 34 Ca -0.16 0.22 -0.59 0.00 -0.02 0.00 0.00 57.16 56.61 2q64 n GLU 34 Cb 0.51 -2.06 -0.08 0.00 -0.02 0.00 0.00 31.44 29.80 2q64 n GLU 34 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 2q64 n GLU 35 N -1.24 0.56 -3.67 3.49 0.00 -1.23 -4.60 120.64 113.96 2q64 n GLU 35 Ca 0.12 0.20 -0.10 0.00 0.00 0.00 0.00 57.16 57.39 2q64 n GLU 35 Cb 0.49 -1.78 -0.04 0.00 0.00 0.00 0.00 31.44 30.11 2q64 n GLU 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2q64 s MET 36 N 1.59 1.31 -0.39 3.44 0.23 -1.26 -5.04 119.30 119.18 2q64 s MET 36 Ca 0.94 -0.77 -0.22 0.00 -1.03 0.00 0.00 55.69 54.61 2q64 s MET 36 Cb -1.19 0.52 0.01 0.00 -1.53 0.00 0.00 34.83 32.64 2q64 s MET 36 CO 0.62 -0.55 0.74 0.45 -2.03 0.00 0.00 175.02 174.25 2q64 s SER 37 N -2.84 6.48 -0.12 -1.18 0.15 -1.26 -5.04 113.70 109.89 2q64 s SER 37 Ca 0.07 0.16 0.01 0.00 0.70 0.00 0.00 55.95 56.89 2q64 s SER 37 Cb -0.01 -2.37 -0.01 0.00 -1.71 0.00 0.00 66.02 61.92 2q64 s SER 37 CO -0.06 -0.75 -0.17 -0.76 1.20 0.00 0.00 173.24 172.71 2q64 s LEU 38 N 3.04 2.52 0.56 3.45 1.43 -1.26 -4.94 118.68 123.48 2q64 s LEU 38 Ca 0.29 -0.40 -0.19 0.00 -1.03 0.00 0.00 54.13 52.79 2q64 s LEU 38 Cb -0.13 -1.55 -0.05 0.00 0.03 0.00 0.00 46.19 44.49 2q64 s LEU 38 CO 0.18 0.16 1.16 -2.16 0.23 0.00 0.00 176.35 175.92 2q64 s PRO 39 N 0.36 3.21 0.06 1.29 0.04 -1.26 -4.95 135.00 133.75 2q64 s PRO 39 Ca -0.13 1.69 0.00 0.00 0.04 0.00 0.00 61.00 62.60 2q64 s PRO 39 Cb -0.17 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.40 2q64 s PRO 39 CO 0.07 -0.99 0.00 0.41 0.04 0.00 0.00 177.00 176.53 2q64 n GLY 40 N 0.28 -3.36 3.77 0.56 0.00 -1.26 -5.02 105.19 100.16 2q64 n GLY 40 Ca 0.12 -1.93 -0.33 0.00 0.00 0.00 0.00 46.02 43.88 2q64 n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2q64 s ALA 41 N -1.15 2.47 0.16 4.61 0.00 -1.26 -5.09 121.76 121.50 2q64 s ALA 41 Ca 0.00 0.55 -0.05 0.00 0.00 0.00 0.00 51.96 52.46 2q64 s ALA 41 Cb 0.00 -3.32 -0.02 0.00 0.00 0.00 0.00 23.12 19.78 2q64 s ALA 41 CO 0.00 -1.27 0.19 1.67 0.00 0.00 0.00 175.76 176.35 2q64 s TRP 42 N -2.33 0.65 0.10 0.00 1.48 -1.26 -4.74 118.94 112.83 2q64 s TRP 42 Ca 0.67 -1.00 0.09 0.00 -1.06 0.00 0.00 56.10 54.80 2q64 s TRP 42 Cb -0.21 -0.26 -0.04 0.00 -1.16 0.00 0.00 33.47 31.81 2q64 s TRP 42 CO 0.41 -0.64 -0.20 0.15 -4.06 0.00 0.00 176.95 172.61 2q64 s LYS 43 N -4.02 1.78 0.43 3.25 -0.14 -0.53 -4.92 119.74 115.60 2q64 s LYS 43 Ca 0.22 -1.16 -0.25 0.00 -1.36 0.00 0.00 55.97 53.42 2q64 s LYS 43 Cb 0.05 -2.09 -0.08 0.00 -1.68 0.00 0.00 37.83 34.04 2q64 s LYS 43 CO 0.02 0.49 1.24 -2.14 -0.76 0.00 0.00 175.35 174.20 2q64 s PRO 44 N -1.91 3.85 0.07 -1.68 0.02 -1.26 -0.66 135.00 133.43 2q64 s PRO 44 Ca 0.16 1.99 -0.16 0.00 0.02 0.00 0.00 61.00 63.01 2q64 s PRO 44 Cb -0.10 -2.60 0.03 0.00 0.02 0.00 0.00 34.50 31.84 2q64 s PRO 44 CO 0.08 -0.53 0.37 0.15 -0.33 0.00 0.00 177.00 176.73 2q64 s LYS 45 N -2.43 0.94 -0.08 5.54 1.02 -1.06 -4.84 119.74 118.82 2q64 s LYS 45 Ca 0.60 -0.55 0.04 0.00 0.02 0.00 0.00 55.97 56.08 2q64 s LYS 45 Cb -0.34 0.41 -0.00 0.00 -0.52 0.00 0.00 37.83 37.38 2q64 s LYS 45 CO 0.43 -0.33 -0.22 1.41 -0.92 0.00 0.00 175.35 175.71 2q64 s MET 46 N -3.03 2.70 -0.02 1.68 -2.45 -1.26 -1.24 119.30 115.67 2q64 s MET 46 Ca -0.02 -0.81 0.06 0.00 -1.25 0.00 0.00 55.69 53.67 2q64 s MET 46 Cb 0.01 -2.11 -0.01 0.00 1.25 0.00 0.00 34.83 33.96 2q64 s MET 46 CO -0.06 0.21 -0.19 0.96 1.05 0.00 0.00 175.02 176.98 2q64 s ILE 47 N 0.26 1.52 -0.14 10.11 -4.36 -0.89 -4.99 121.20 122.71 2q64 s ILE 47 Ca -0.14 -0.81 -0.09 0.00 -0.26 0.00 0.00 60.65 59.35 2q64 s ILE 47 Cb -0.16 -1.27 -0.04 0.00 1.25 0.00 0.00 42.46 42.23 2q64 s ILE 47 CO 0.07 0.43 0.16 -0.83 0.24 0.00 0.00 174.94 175.01 2q64 s GLY 48 N -0.32 2.15 0.00 6.27 0.00 -1.26 -1.97 107.32 112.18 2q64 s GLY 48 Ca 0.04 -0.62 0.00 0.00 0.00 0.00 0.00 44.72 44.14 2q64 s GLY 48 CO 0.00 -0.15 0.00 0.61 0.00 0.00 0.00 173.10 173.57 2q64 n GLY 49 N 2.51 6.32 3.75 0.20 0.00 -0.29 -5.02 105.19 112.65 2q64 n GLY 49 Ca -0.18 -1.69 -0.41 0.00 0.00 0.00 0.00 46.02 43.74 2q64 n GLY 49 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2q64 s ILE 50 N 0.34 3.64 0.00 -0.61 2.07 -1.26 -3.58 121.20 121.80 2q64 s ILE 50 Ca 0.00 1.48 0.00 0.00 -1.41 0.00 0.00 60.65 60.72 2q64 s ILE 50 Cb 0.00 -3.95 0.00 0.00 0.13 0.00 0.00 42.46 38.64 2q64 s ILE 50 CO 0.00 0.29 0.00 0.61 -1.91 0.00 0.00 174.94 173.93 2q64 n GLY 51 N 1.77 3.25 0.00 1.50 0.00 -1.26 -4.93 105.19 105.52 2q64 n GLY 51 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2q64 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2q64 n GLY 52 N -1.31 0.45 3.28 -0.02 0.00 -1.23 -5.12 105.19 101.23 2q64 n GLY 52 Ca 0.00 -1.30 -0.23 0.00 0.00 0.00 0.00 46.02 44.49 2q64 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2q64 s PHE 53 N -4.00 1.71 0.04 1.61 0.08 -1.26 -1.14 117.98 115.01 2q64 s PHE 53 Ca 0.00 -0.44 0.06 0.00 0.12 0.00 0.00 56.93 56.67 2q64 s PHE 53 Cb 0.00 -0.92 -0.02 0.00 -0.57 0.00 0.00 43.02 41.50 2q64 s PHE 53 CO 0.00 0.21 -0.18 0.96 -0.10 0.00 0.00 175.22 176.11 2q64 s ILE 54 N -1.37 1.44 -0.13 0.64 -4.36 -0.83 -4.99 121.20 111.60 2q64 s ILE 54 Ca 0.07 -1.09 -0.29 0.00 -0.26 0.00 0.00 60.65 59.09 2q64 s ILE 54 Cb -0.09 -1.26 -0.01 0.00 1.25 0.00 0.00 42.46 42.35 2q64 s ILE 54 CO 0.04 0.15 0.98 -0.54 0.24 0.00 0.00 174.94 175.82 2q64 s LYS 55 N -1.10 4.39 0.27 0.37 1.02 -1.26 -2.09 119.74 121.34 2q64 s LYS 55 Ca 0.05 1.33 0.11 0.00 0.02 0.00 0.00 55.97 57.48 2q64 s LYS 55 Cb -0.08 -3.55 -0.05 0.00 -0.52 0.00 0.00 37.83 33.62 2q64 s LYS 55 CO 0.01 -0.34 -0.17 0.14 -0.92 0.00 0.00 175.35 174.07 2q64 s VAL 56 N 2.13 2.25 -0.23 3.17 -7.23 -0.37 -4.42 120.40 115.69 2q64 s VAL 56 Ca 0.46 -2.33 -0.11 0.00 -1.81 0.00 0.00 61.98 58.19 2q64 s VAL 56 Cb -0.18 -2.28 -0.05 0.00 0.56 0.00 0.00 36.38 34.44 2q64 s VAL 56 CO 0.16 -0.42 0.18 -0.13 -0.31 0.00 0.00 175.10 174.58 2q64 s ARG 57 N -3.56 4.10 -0.23 4.82 0.52 0.87 -2.57 118.95 122.89 2q64 s ARG 57 Ca 0.28 -0.22 -0.17 0.00 -0.52 0.00 0.00 55.73 55.11 2q64 s ARG 57 Cb -0.03 -3.52 -0.03 0.00 0.52 0.00 0.00 34.95 31.89 2q64 s ARG 57 CO 0.13 0.09 0.46 -1.14 0.02 0.00 0.00 175.30 174.86 2q64 s GLN 58 N 0.98 4.11 -0.16 3.54 0.74 0.17 -1.21 119.66 127.83 2q64 s GLN 58 Ca 0.09 0.26 0.01 0.00 0.05 0.00 0.00 55.36 55.77 2q64 s GLN 58 Cb -0.13 -3.60 0.00 0.00 1.10 0.00 0.00 33.01 30.38 2q64 s GLN 58 CO 0.04 -0.22 -0.17 0.71 -0.55 0.00 0.00 175.29 175.10 2q64 s TYR 59 N 1.87 2.76 0.26 1.67 2.02 -0.57 -1.45 117.35 123.90 2q64 s TYR 59 Ca 0.20 -1.20 -0.00 0.00 -0.37 0.00 0.00 57.07 55.70 2q64 s TYR 59 Cb -0.15 -1.89 -0.04 0.00 -0.40 0.00 0.00 41.96 39.48 2q64 s TYR 59 CO 0.09 -0.56 0.45 -0.51 -1.57 0.00 0.00 175.55 173.45 2q64 s ASP 60 N 0.92 6.36 -1.60 2.29 1.01 -1.26 -1.06 116.67 123.33 2q64 s ASP 60 Ca -0.04 0.42 -0.10 0.00 0.71 0.00 0.00 52.55 53.55 2q64 s ASP 60 Cb -0.15 -2.02 0.09 0.00 1.01 0.00 0.00 42.92 41.85 2q64 s ASP 60 CO -0.03 -0.13 0.50 0.00 0.21 0.00 0.00 175.17 175.72 2q64 n GLN 61 N -1.07 -2.52 -3.04 8.23 6.02 -1.20 -4.90 117.38 118.90 2q64 n GLN 61 Ca -0.05 0.30 -0.40 0.00 -0.01 0.00 0.00 57.00 56.85 2q64 n GLN 61 Cb 0.55 -4.59 -0.05 0.00 1.02 0.00 0.00 30.24 27.17 2q64 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2q64 s ILE 62 N -3.70 5.04 -0.05 5.09 -1.09 -0.36 -4.74 121.20 121.39 2q64 s ILE 62 Ca 0.38 1.45 -0.30 0.00 -2.23 0.00 0.00 60.65 59.95 2q64 s ILE 62 Cb -0.21 -4.04 -0.03 0.00 -1.58 0.00 0.00 42.46 36.60 2q64 s ILE 62 CO 0.94 0.25 1.08 -0.22 -1.23 0.00 0.00 174.94 175.76 2q64 s LEU 63 N 0.81 4.29 -0.02 2.97 2.96 -1.26 -1.77 118.68 126.67 2q64 s LEU 63 Ca 0.38 1.69 0.04 0.00 -0.22 0.00 0.00 54.13 56.01 2q64 s LEU 63 Cb -0.18 -3.56 -0.01 0.00 0.50 0.00 0.00 46.19 42.95 2q64 s LEU 63 CO 0.18 -0.46 -0.12 -0.51 -1.32 0.00 0.00 176.35 174.12 2q64 s ILE 64 N 1.80 1.00 -0.50 6.68 2.07 0.95 -4.48 121.20 128.72 2q64 s ILE 64 Ca 0.52 -0.52 -0.05 0.00 -1.41 0.00 0.00 60.65 59.20 2q64 s ILE 64 Cb -0.22 -0.85 0.13 0.00 0.13 0.00 0.00 42.46 41.65 2q64 s ILE 64 CO 0.22 0.29 0.33 -0.70 -1.91 0.00 0.00 174.94 173.17 2q64 s GLU 65 N -0.13 2.34 -0.36 3.50 2.12 -0.22 -0.95 118.70 125.00 2q64 s GLU 65 Ca 0.02 -2.03 -0.15 0.00 0.36 0.00 0.00 54.97 53.18 2q64 s GLU 65 Cb -0.07 -3.75 -0.00 0.00 0.26 0.00 0.00 34.13 30.57 2q64 s GLU 65 CO 0.00 -1.14 0.32 0.42 -0.54 0.00 0.00 175.26 174.32 2q64 s ILE 66 N 0.83 5.22 -1.49 -3.70 1.01 0.36 -1.34 121.20 122.09 2q64 s ILE 66 Ca 0.10 -0.22 -0.14 0.00 0.00 0.00 0.00 60.65 60.39 2q64 s ILE 66 Cb -0.22 -3.83 0.11 0.00 0.01 0.00 0.00 42.46 38.53 2q64 s ILE 66 CO -0.03 -0.14 0.69 0.00 0.00 0.00 0.00 174.94 175.46 2q64 n GLY 68 N -1.34 0.47 3.30 0.00 0.00 -1.26 -5.04 105.19 101.33 2q64 n GLY 68 Ca 0.04 -0.62 -0.34 0.00 0.00 0.00 0.00 46.02 45.09 2q64 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2q64 s HIS 69 N -2.00 2.89 0.08 1.61 4.02 0.90 -5.12 115.29 117.67 2q64 s HIS 69 Ca 0.00 -0.96 -0.30 0.00 1.02 0.00 0.00 55.06 54.83 2q64 s HIS 69 Cb 0.00 -2.00 -0.05 0.00 -1.02 0.00 0.00 32.58 29.51 2q64 s HIS 69 CO 0.00 -0.49 0.95 0.15 1.02 0.00 0.00 174.74 176.37 2q64 s LYS 70 N 1.12 4.64 -0.02 1.40 1.02 -1.26 -0.49 119.74 126.15 2q64 s LYS 70 Ca 0.01 1.41 -0.05 0.00 0.02 0.00 0.00 55.97 57.35 2q64 s LYS 70 Cb -0.14 -3.40 0.01 0.00 -0.52 0.00 0.00 37.83 33.77 2q64 s LYS 70 CO -0.02 0.15 0.12 0.00 -0.92 0.00 0.00 175.35 174.68 2q64 s ALA 71 N 0.26 -0.28 -0.04 5.17 0.00 -0.12 -4.91 121.76 121.83 2q64 s ALA 71 Ca 0.47 0.09 0.05 0.00 0.00 0.00 0.00 51.96 52.57 2q64 s ALA 71 Cb -0.22 -0.06 -0.02 0.00 0.00 0.00 0.00 23.12 22.81 2q64 s ALA 71 CO 0.29 -0.13 -0.18 0.42 0.00 0.00 0.00 175.76 176.16 2q64 s ILE 72 N -0.62 2.74 -0.72 0.00 1.01 -1.26 -0.03 121.20 122.31 2q64 s ILE 72 Ca -0.07 -0.85 0.00 0.00 0.00 0.00 0.00 60.65 59.73 2q64 s ILE 72 Cb -0.04 -2.04 0.00 0.00 0.01 0.00 0.00 42.46 40.39 2q64 s ILE 72 CO 0.01 0.59 0.00 0.61 0.00 0.00 0.00 174.94 176.14 2q64 n GLY 73 N 2.39 -1.33 3.66 6.18 0.00 -0.73 -4.91 105.19 110.44 2q64 n GLY 73 Ca -0.17 -1.02 -0.43 0.00 0.00 0.00 0.00 46.02 44.41 2q64 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2q64 s THR 74 N -2.19 4.25 -0.07 2.61 2.01 -1.26 -1.22 115.64 119.77 2q64 s THR 74 Ca 0.00 1.51 0.01 0.00 0.31 0.00 0.00 61.69 63.52 2q64 s THR 74 Cb 0.00 -3.98 -0.03 0.00 0.01 0.00 0.00 72.50 68.50 2q64 s THR 74 CO 0.00 -0.13 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.05 2q64 s VAL 75 N 3.46 3.76 -0.14 3.82 1.01 -0.22 -4.40 120.40 127.69 2q64 s VAL 75 Ca 0.56 -0.46 -0.03 0.00 0.00 0.00 0.00 61.98 62.05 2q64 s VAL 75 Cb -0.22 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.59 2q64 s VAL 75 CO 0.16 0.60 -0.04 -0.76 0.00 0.00 0.00 175.10 175.05 2q64 s LEU 76 N -0.81 3.25 -0.19 3.92 1.02 -0.29 -1.51 118.68 124.07 2q64 s LEU 76 Ca 0.12 -0.10 -0.01 0.00 0.02 0.00 0.00 54.13 54.16 2q64 s LEU 76 Cb -0.11 -1.77 0.00 0.00 0.02 0.00 0.00 46.19 44.34 2q64 s LEU 76 CO 0.01 0.22 -0.12 -0.69 0.02 0.00 0.00 176.35 175.79 2q64 s VAL 77 N 0.08 2.81 -0.04 -1.59 1.01 -0.35 0.11 120.40 122.43 2q64 s VAL 77 Ca -0.01 -0.70 -0.22 0.00 0.00 0.00 0.00 61.98 61.05 2q64 s VAL 77 Cb -0.14 -2.23 0.07 0.00 0.00 0.00 0.00 36.38 34.09 2q64 s VAL 77 CO 0.03 0.49 1.01 0.61 0.00 0.00 0.00 175.10 177.23 2q64 n GLY 78 N 4.46 0.25 2.09 4.51 0.00 -0.24 -0.09 105.19 116.17 2q64 n GLY 78 Ca -0.19 -0.98 -0.07 0.00 0.00 0.00 0.00 46.02 44.77 2q64 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2q64 n PRO 79 N -0.73 1.30 -2.59 1.61 -0.04 -1.26 -3.47 135.00 129.83 2q64 n PRO 79 Ca 0.04 -0.61 -0.40 0.00 -0.04 0.00 0.00 63.50 62.49 2q64 n PRO 79 Cb 0.44 -1.76 -0.05 0.00 -0.04 0.00 0.00 33.50 32.09 2q64 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2q64 s THR 80 N 1.48 3.73 -0.71 0.52 -1.32 -1.26 -4.97 115.64 113.11 2q64 s THR 80 Ca 0.41 1.72 0.25 0.00 -1.21 0.00 0.00 61.69 62.86 2q64 s THR 80 Cb 0.19 -4.08 0.27 0.00 -1.51 0.00 0.00 72.50 67.37 2q64 s THR 80 CO 0.00 0.39 1.77 -0.81 -2.21 0.00 0.00 174.62 173.76 2q64 n PRO 81 N 1.23 0.21 -3.81 7.08 -0.04 -1.26 -4.49 135.00 133.91 2q64 n PRO 81 Ca -0.01 0.24 -0.13 0.00 -0.04 0.00 0.00 63.50 63.56 2q64 n PRO 81 Cb 0.46 -1.78 -0.14 0.00 -0.04 0.00 0.00 33.50 32.01 2q64 n PRO 81 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2q64 s VAL 82 N -3.14 -0.02 0.10 0.52 1.01 -1.26 -5.05 120.40 112.56 2q64 s VAL 82 Ca 0.09 0.07 -0.31 0.00 0.00 0.00 0.00 61.98 61.83 2q64 s VAL 82 Cb 0.12 -0.16 -0.08 0.00 0.00 0.00 0.00 36.38 36.26 2q64 s VAL 82 CO 0.53 0.03 1.55 0.20 0.00 0.00 0.00 175.10 177.40 2q64 s ASN 83 N 0.46 6.66 -0.11 3.32 0.01 -1.26 -4.71 114.94 119.31 2q64 s ASN 83 Ca -0.03 2.46 0.03 0.00 -0.71 0.00 0.00 52.86 54.61 2q64 s ASN 83 Cb -0.05 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 39.04 2q64 s ASN 83 CO -0.02 -0.81 -0.22 -0.63 -1.51 0.00 0.00 177.10 173.91 2q64 s ILE 84 N 1.84 2.16 -0.42 0.60 1.01 0.57 0.05 121.20 127.01 2q64 s ILE 84 Ca 0.70 -0.97 -0.14 0.00 0.00 0.00 0.00 60.65 60.23 2q64 s ILE 84 Cb -0.40 -1.84 0.03 0.00 0.01 0.00 0.00 42.46 40.27 2q64 s ILE 84 CO 0.31 0.55 0.31 -0.63 0.00 0.00 0.00 174.94 175.48 2q64 s ILE 85 N 0.48 5.12 0.56 2.92 -1.09 0.22 -1.11 121.20 128.30 2q64 s ILE 85 Ca -0.15 -0.80 -0.02 0.00 -2.23 0.00 0.00 60.65 57.45 2q64 s ILE 85 Cb -0.17 -3.91 0.12 0.00 -1.58 0.00 0.00 42.46 36.92 2q64 s ILE 85 CO 0.06 -0.37 0.77 0.61 -1.23 0.00 0.00 174.94 174.78 2q64 n GLY 86 N 5.14 0.35 0.24 6.18 0.00 -1.10 -1.51 105.19 114.48 2q64 n GLY 86 Ca -0.11 -1.96 0.07 0.00 0.00 0.00 0.00 46.02 44.02 2q64 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2q64 h ARG 87 N 0.00 0.00 -0.75 1.61 3.08 -0.74 -1.69 114.38 115.90 2q64 h ARG 87 Ca -0.25 0.00 0.16 0.00 0.07 0.00 0.00 59.98 59.96 2q64 h ARG 87 Cb 0.89 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.89 2q64 h ARG 87 CO 0.25 0.15 0.50 -2.95 -1.07 0.00 0.00 179.97 176.86 2q64 h ASN 88 N 0.00 0.32 0.00 7.04 -1.07 -1.81 -2.32 115.58 117.74 2q64 h ASN 88 Ca -0.00 0.02 -0.31 0.00 0.07 0.00 0.00 56.30 56.08 2q64 h ASN 88 Cb 0.29 -0.04 -0.06 0.00 -2.07 0.00 0.00 38.32 36.44 2q64 h ASN 88 CO 0.02 0.16 -2.26 0.18 0.07 0.00 0.00 177.43 175.60 2q64 n LEU 89 N -4.46 0.00 -0.37 6.14 4.77 -0.85 -4.40 117.00 117.83 2q64 n LEU 89 Ca 0.14 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.11 2q64 n LEU 89 Cb 0.58 0.42 0.12 0.00 -2.33 0.00 0.00 43.42 42.20 2q64 n LEU 89 CO 0.33 0.42 1.28 -0.07 -1.33 0.00 0.00 177.39 178.03 2q64 h LEU 90 N 0.00 1.11 -2.28 2.23 3.38 -1.13 -1.54 115.31 117.09 2q64 h LEU 90 Ca -0.46 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.48 2q64 h LEU 90 Cb 2.04 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 42.52 2q64 h LEU 90 CO 0.03 0.79 -0.04 0.71 0.09 0.00 0.00 178.44 180.02 2q64 h THR 91 N 1.30 0.24 0.00 0.22 1.35 -1.64 -1.92 112.91 112.47 2q64 h THR 91 Ca 0.37 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.96 2q64 h THR 91 Cb -0.10 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 67.53 2q64 h THR 91 CO -0.10 0.04 -0.13 1.56 -0.25 0.00 0.00 175.52 176.64 2q64 h GLN 92 N 0.00 0.00 -0.26 4.72 1.08 -1.48 -3.20 115.11 115.96 2q64 h GLN 92 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2q64 h GLN 92 Cb 0.21 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.64 2q64 h GLN 92 CO 0.01 0.00 0.00 0.44 -0.95 0.00 0.00 178.83 178.33 2q64 n ILE 93 N -2.71 2.12 -3.34 2.54 -5.35 -1.07 -4.88 119.36 106.67 2q64 n ILE 93 Ca 0.04 -1.78 -0.23 0.00 -0.27 0.00 0.00 62.75 60.52 2q64 n ILE 93 Cb 0.49 -0.16 0.06 0.00 -1.74 0.00 0.00 39.64 38.29 2q64 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2q64 n GLY 94 N -0.40 -0.49 3.68 3.28 0.00 -1.19 -4.95 105.19 105.12 2q64 n GLY 94 Ca 0.20 0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.98 2q64 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2q64 s THR 96 N 2.16 2.11 -0.10 0.00 -4.23 -1.26 -4.71 115.64 109.61 2q64 s THR 96 Ca 0.43 -1.89 -0.15 0.00 -1.18 0.00 0.00 61.69 58.90 2q64 s THR 96 Cb -0.17 -1.95 -0.05 0.00 1.34 0.00 0.00 72.50 71.67 2q64 s THR 96 CO 0.14 -0.13 0.38 -0.76 -0.54 0.00 0.00 174.62 173.71 2q64 s LEU 97 N -2.47 4.33 -0.10 4.79 1.43 -1.26 -5.10 118.68 120.30 2q64 s LEU 97 Ca 0.16 0.74 0.03 0.00 -1.03 0.00 0.00 54.13 54.03 2q64 s LEU 97 Cb -0.08 -2.52 0.01 0.00 0.03 0.00 0.00 46.19 43.63 2q64 s LEU 97 CO 0.08 0.15 -0.19 0.20 0.23 0.00 0.00 176.35 176.82 2q64 s ASN 98 N -0.02 2.64 0.00 2.29 -0.87 -1.26 -5.29 114.94 112.44 2q64 s ASN 98 Ca 0.21 -0.48 0.00 0.00 -1.57 0.00 0.00 52.86 51.03 2q64 s ASN 98 Cb -0.15 -1.21 0.00 0.00 -0.02 0.00 0.00 41.25 39.87 2q64 s ASN 98 CO 0.09 0.09 0.00 2.22 -2.57 0.00 0.00 177.10 176.92