#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 3.69 -0.08 -0.52 0.74 -1.26 -5.10 119.66 117.13 2q64 s GLN 2 Ca 0.00 0.11 -0.03 0.00 0.05 0.00 0.00 55.36 55.49 2q64 s GLN 2 Cb 0.00 -2.64 0.04 0.00 1.10 0.00 0.00 33.01 31.51 2q64 s GLN 2 CO 0.00 0.24 0.06 0.42 -0.55 0.00 0.00 175.29 175.47 2q64 s ILE 3 N -2.00 -0.04 0.99 -2.34 1.01 -1.26 -5.15 121.20 112.41 2q64 s ILE 3 Ca 0.45 0.20 -0.14 0.00 0.00 0.00 0.00 60.65 61.16 2q64 s ILE 3 Cb -0.11 -0.33 0.19 0.00 0.01 0.00 0.00 42.46 42.22 2q64 s ILE 3 CO 0.27 0.04 1.16 0.42 0.00 0.00 0.00 174.94 176.83 2q64 s THR 4 N 2.14 1.91 -0.17 2.92 -4.23 -1.26 -5.03 115.64 111.92 2q64 s THR 4 Ca 0.04 0.00 0.15 0.00 -1.18 0.00 0.00 61.69 60.70 2q64 s THR 4 Cb -0.13 -2.71 0.37 0.00 1.34 0.00 0.00 72.50 71.36 2q64 s THR 4 CO -0.05 0.00 1.21 0.18 -0.54 0.00 0.00 174.62 175.42 2q64 n LEU 5 N -4.03 2.67 0.08 4.79 4.77 -1.26 -4.65 117.00 119.37 2q64 n LEU 5 Ca 0.09 -3.45 -0.06 0.00 -0.03 0.00 0.00 56.01 52.56 2q64 n LEU 5 Cb 0.59 -0.49 0.10 0.00 -2.33 0.00 0.00 43.42 41.30 2q64 n LEU 5 CO 0.53 1.02 0.45 -0.50 -1.33 0.00 0.00 177.39 177.55 2q64 h TRP 6 N 0.55 0.31 -1.63 -1.77 4.06 -2.07 -3.44 115.95 111.96 2q64 h TRP 6 Ca 0.01 -0.13 -0.54 0.00 2.06 0.00 0.00 58.89 60.30 2q64 h TRP 6 Cb 1.06 -0.05 -0.07 0.00 -1.00 0.00 0.00 29.16 29.10 2q64 h TRP 6 CO 0.39 0.81 -0.47 -0.65 -3.56 0.00 0.00 178.44 174.95 2q64 s GLN 7 N -3.69 2.34 0.28 0.49 -1.52 -1.26 -5.10 119.66 111.20 2q64 s GLN 7 Ca -0.04 -1.70 -0.30 0.00 -1.95 0.00 0.00 55.36 51.37 2q64 s GLN 7 Cb 0.12 -2.13 -0.12 0.00 -0.22 0.00 0.00 33.01 30.66 2q64 s GLN 7 CO 0.80 -0.09 1.56 0.54 -0.25 0.00 0.00 175.29 177.85 2q64 n ARG 8 N -1.31 2.58 -2.48 2.91 1.74 -1.26 -4.89 116.66 113.96 2q64 n ARG 8 Ca -0.00 0.92 -0.40 0.00 -0.77 0.00 0.00 57.85 57.60 2q64 n ARG 8 Cb 0.63 -2.68 -0.01 0.00 -1.02 0.00 0.00 32.46 29.38 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 -0.49 3.65 -0.10 5.56 0.04 -1.26 -4.96 135.00 137.43 2q64 s PRO 9 Ca 0.65 -1.73 -0.15 0.00 0.04 0.00 0.00 61.00 59.81 2q64 s PRO 9 Cb -0.52 -5.46 -0.05 0.00 0.04 0.00 0.00 34.50 28.51 2q64 s PRO 9 CO 0.49 -2.59 0.36 -0.51 0.04 0.00 0.00 177.00 174.79 2q64 s LEU 10 N 5.64 4.32 0.18 -3.56 1.43 -1.26 -1.05 118.68 124.39 2q64 s LEU 10 Ca 0.56 0.71 0.08 0.00 -1.03 0.00 0.00 54.13 54.45 2q64 s LEU 10 Cb 0.03 -2.49 -0.04 0.00 0.03 0.00 0.00 46.19 43.71 2q64 s LEU 10 CO 0.07 0.16 -0.17 0.68 0.23 0.00 0.00 176.35 177.32 2q64 s VAL 11 N -0.01 1.78 0.12 -1.59 -7.23 0.11 -4.93 120.40 108.65 2q64 s VAL 11 Ca 0.21 -2.03 -0.28 0.00 -1.81 0.00 0.00 61.98 58.06 2q64 s VAL 11 Cb -0.14 -1.91 -0.07 0.00 0.56 0.00 0.00 36.38 34.82 2q64 s VAL 11 CO 0.08 -0.43 0.89 -0.89 -0.31 0.00 0.00 175.10 174.44 2q64 s THR 12 N -2.42 4.46 0.09 5.32 2.01 -1.26 -0.70 115.64 123.14 2q64 s THR 12 Ca 0.18 1.93 0.08 0.00 0.31 0.00 0.00 61.69 64.19 2q64 s THR 12 Cb -0.04 -4.26 -0.03 0.00 0.01 0.00 0.00 72.50 68.18 2q64 s THR 12 CO 0.07 0.38 -0.20 0.27 -0.69 0.00 0.00 174.62 174.45 2q64 s ILE 13 N -0.36 1.63 -0.22 1.82 -4.36 0.99 -1.58 121.20 119.13 2q64 s ILE 13 Ca 0.43 -1.48 0.00 0.00 -0.26 0.00 0.00 60.65 59.33 2q64 s ILE 13 Cb -0.23 -1.49 0.03 0.00 1.25 0.00 0.00 42.46 42.02 2q64 s ILE 13 CO 0.28 -0.06 -0.12 -0.75 0.24 0.00 0.00 174.94 174.53 2q64 s LYS 14 N -1.82 2.85 -0.00 0.37 2.20 -0.43 -0.32 119.74 122.58 2q64 s LYS 14 Ca 0.05 -0.95 0.01 0.00 -0.36 0.00 0.00 55.97 54.73 2q64 s LYS 14 Cb -0.10 -2.80 -0.00 0.00 -1.51 0.00 0.00 37.83 33.42 2q64 s LYS 14 CO 0.04 -0.33 -0.04 -1.50 -0.36 0.00 0.00 175.35 173.16 2q64 s ILE 15 N 1.29 0.31 -1.72 5.43 2.07 -0.18 -0.98 121.20 127.41 2q64 s ILE 15 Ca 0.01 -0.16 -0.15 0.00 -1.41 0.00 0.00 60.65 58.93 2q64 s ILE 15 Cb -0.15 -0.26 0.14 0.00 0.13 0.00 0.00 42.46 42.32 2q64 s ILE 15 CO -0.08 0.09 0.52 0.61 -1.91 0.00 0.00 174.94 174.17 2q64 n GLY 16 N 2.99 -0.34 2.97 1.50 0.00 -1.26 -0.87 105.19 110.18 2q64 n GLY 16 Ca -0.13 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.56 2.92 3.85 -0.02 0.00 -1.26 -5.01 105.19 104.11 2q64 n GLY 17 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.03 3.31 -0.16 1.61 -0.21 -0.05 -5.09 119.66 119.04 2q64 s GLN 18 Ca 0.00 -0.32 -0.16 0.00 0.02 0.00 0.00 55.36 54.90 2q64 s GLN 18 Cb 0.00 -3.04 -0.04 0.00 1.00 0.00 0.00 33.01 30.93 2q64 s GLN 18 CO 0.00 0.70 0.39 -0.51 -2.12 0.00 0.00 175.29 173.75 2q64 s LEU 19 N -1.57 4.22 0.16 2.90 1.43 -1.26 -1.01 118.68 123.55 2q64 s LEU 19 Ca 0.22 0.60 0.04 0.00 -1.03 0.00 0.00 54.13 53.97 2q64 s LEU 19 Cb -0.12 -2.53 -0.05 0.00 0.03 0.00 0.00 46.19 43.52 2q64 s LEU 19 CO 0.12 -0.01 -0.08 -0.54 0.23 0.00 0.00 176.35 176.08 2q64 s LYS 20 N 0.87 1.11 -0.07 1.70 1.02 0.57 -4.98 119.74 119.95 2q64 s LYS 20 Ca 0.20 -1.49 -0.03 0.00 0.02 0.00 0.00 55.97 54.67 2q64 s LYS 20 Cb -0.14 -0.61 -0.04 0.00 -0.52 0.00 0.00 37.83 36.52 2q64 s LYS 20 CO 0.07 0.04 0.07 -2.00 -0.92 0.00 0.00 175.35 172.62 2q64 s GLU 21 N -3.77 3.16 0.04 1.68 2.12 -1.26 -0.00 118.70 120.67 2q64 s GLU 21 Ca 0.19 -0.34 -0.08 0.00 0.36 0.00 0.00 54.97 55.11 2q64 s GLU 21 Cb 0.03 -2.94 -0.00 0.00 0.26 0.00 0.00 34.13 31.47 2q64 s GLU 21 CO 0.02 0.71 0.15 0.00 -0.54 0.00 0.00 175.26 175.60 2q64 s ALA 22 N -1.02 -0.20 -0.22 6.30 0.00 0.12 -4.42 121.76 122.31 2q64 s ALA 22 Ca 0.17 -0.45 -0.17 0.00 0.00 0.00 0.00 51.96 51.51 2q64 s ALA 22 Cb -0.12 0.29 -0.04 0.00 0.00 0.00 0.00 23.12 23.26 2q64 s ALA 22 CO 0.06 -0.36 0.44 -1.17 0.00 0.00 0.00 175.76 174.73 2q64 s LEU 23 N -2.21 4.11 -0.29 0.00 2.96 0.13 0.09 118.68 123.48 2q64 s LEU 23 Ca -0.04 0.51 -0.29 0.00 -0.22 0.00 0.00 54.13 54.09 2q64 s LEU 23 Cb -0.00 -2.56 -0.00 0.00 0.50 0.00 0.00 46.19 44.12 2q64 s LEU 23 CO -0.05 -0.15 1.36 -0.76 -1.32 0.00 0.00 176.35 175.43 2q64 s LEU 24 N 1.69 3.87 -0.37 -0.68 1.43 -0.21 -0.58 118.68 123.83 2q64 s LEU 24 Ca 0.20 1.27 0.01 0.00 -1.03 0.00 0.00 54.13 54.58 2q64 s LEU 24 Cb -0.15 -3.54 0.12 0.00 0.03 0.00 0.00 46.19 42.65 2q64 s LEU 24 CO 0.09 -1.12 0.18 -0.62 0.23 0.00 0.00 176.35 175.10 2q64 s ASP 25 N 3.10 3.73 0.38 2.29 -1.08 -0.71 -4.77 116.67 119.61 2q64 s ASP 25 Ca 0.59 -2.16 0.28 0.00 -0.52 0.00 0.00 52.55 50.74 2q64 s ASP 25 Cb -0.18 -0.89 1.16 0.00 -1.46 0.00 0.00 42.92 41.55 2q64 s ASP 25 CO 0.24 -0.33 1.83 0.71 0.52 0.00 0.00 175.17 178.14 2q64 h THR 26 N 5.74 0.00 -0.00 1.71 1.35 -1.93 -2.09 112.91 117.69 2q64 h THR 26 Ca -0.05 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 2q64 h THR 26 Cb 0.97 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 2q64 h THR 26 CO 0.45 0.00 -0.06 0.61 -0.25 0.00 0.00 175.52 176.27 2q64 n GLY 27 N -0.02 -1.24 3.58 5.82 0.00 -1.26 -4.85 105.19 107.23 2q64 n GLY 27 Ca 0.01 -0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.66 3.34 0.24 4.61 0.00 -0.78 -4.97 121.76 121.54 2q64 s ALA 28 Ca 0.24 -0.87 0.11 0.00 0.00 0.00 0.00 51.96 51.44 2q64 s ALA 28 Cb 0.20 -1.99 0.34 0.00 0.00 0.00 0.00 23.12 21.67 2q64 s ALA 28 CO 0.50 -0.05 1.60 -0.44 0.00 0.00 0.00 175.76 177.36 2q64 h ASP 29 N 7.22 0.00 -2.51 0.00 3.32 -1.88 0.12 116.42 122.69 2q64 h ASP 29 Ca -0.37 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.10 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 0.65 0.62 -0.76 0.20 -1.72 0.00 0.00 179.24 178.24 2q64 s ASN 30 N -6.79 3.36 -0.22 6.45 0.01 -1.26 -3.14 114.94 113.35 2q64 s ASN 30 Ca -0.01 -1.01 -0.15 0.00 -0.71 0.00 0.00 52.86 50.98 2q64 s ASN 30 Cb 0.12 -0.26 -0.04 0.00 0.41 0.00 0.00 41.25 41.48 2q64 s ASN 30 CO 0.76 0.00 0.34 -0.89 -1.51 0.00 0.00 177.10 175.80 2q64 s THR 31 N -2.53 5.23 -0.11 1.60 2.01 -1.26 -2.89 115.64 117.69 2q64 s THR 31 Ca 0.28 0.57 0.01 0.00 0.31 0.00 0.00 61.69 62.86 2q64 s THR 31 Cb -0.04 -3.67 0.02 0.00 0.01 0.00 0.00 72.50 68.81 2q64 s THR 31 CO 0.13 0.26 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.50 2q64 s VAL 32 N 1.38 1.33 0.02 3.82 1.01 0.05 -0.48 120.40 127.53 2q64 s VAL 32 Ca 0.16 -0.52 0.05 0.00 0.00 0.00 0.00 61.98 61.67 2q64 s VAL 32 Cb -0.15 -1.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 2q64 s VAL 32 CO 0.08 0.41 -0.13 -0.76 0.00 0.00 0.00 175.10 174.70 2q64 s LEU 33 N 1.22 2.86 1.00 3.92 1.02 0.15 -0.12 118.68 128.73 2q64 s LEU 33 Ca -0.03 -0.28 -0.11 0.00 0.02 0.00 0.00 54.13 53.73 2q64 s LEU 33 Cb -0.14 -1.65 0.18 0.00 0.02 0.00 0.00 46.19 44.60 2q64 s LEU 33 CO -0.04 0.28 1.01 -0.62 0.02 0.00 0.00 176.35 176.99 2q64 n GLU 34 N 1.64 -1.04 -1.74 1.70 1.02 -1.26 -1.42 120.64 119.52 2q64 n GLU 34 Ca -0.16 -0.25 -0.68 0.00 -0.02 0.00 0.00 57.16 56.05 2q64 n GLU 34 Cb 0.52 -2.25 -0.10 0.00 -0.02 0.00 0.00 31.44 29.59 2q64 n GLU 34 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2q64 n GLU 35 N -4.16 0.00 -3.63 3.49 -0.58 -1.22 -4.55 120.64 109.99 2q64 n GLU 35 Ca 0.09 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.72 2q64 n GLU 35 Cb 0.53 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.87 2q64 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2q64 s MET 36 N 2.99 1.25 -0.50 3.49 0.23 -1.26 -5.06 119.30 120.45 2q64 s MET 36 Ca 1.05 -0.72 -0.23 0.00 -1.03 0.00 0.00 55.69 54.76 2q64 s MET 36 Cb -1.50 0.52 0.04 0.00 -1.53 0.00 0.00 34.83 32.36 2q64 s MET 36 CO 0.82 -0.52 0.85 0.45 -2.03 0.00 0.00 175.02 174.59 2q64 s SER 37 N -2.82 6.37 -0.10 -1.18 0.15 -1.26 -5.04 113.70 109.82 2q64 s SER 37 Ca 0.05 -0.26 -0.01 0.00 0.70 0.00 0.00 55.95 56.43 2q64 s SER 37 Cb -0.00 -2.41 -0.03 0.00 -1.71 0.00 0.00 66.02 61.88 2q64 s SER 37 CO -0.08 -1.06 -0.06 -0.76 1.20 0.00 0.00 173.24 172.47 2q64 s LEU 38 N 3.57 3.18 0.44 3.45 1.43 -1.26 -4.92 118.68 124.56 2q64 s LEU 38 Ca 0.30 -0.07 -0.22 0.00 -1.03 0.00 0.00 54.13 53.10 2q64 s LEU 38 Cb -0.13 -1.72 -0.09 0.00 0.03 0.00 0.00 46.19 44.29 2q64 s LEU 38 CO 0.21 0.29 1.03 -2.16 0.23 0.00 0.00 176.35 175.95 2q64 s PRO 39 N -0.36 4.02 0.00 1.29 0.04 -1.26 -4.98 135.00 133.75 2q64 s PRO 39 Ca 0.05 1.40 0.00 0.00 0.04 0.00 0.00 61.00 62.49 2q64 s PRO 39 Cb -0.12 -2.31 0.00 0.00 0.04 0.00 0.00 34.50 32.11 2q64 s PRO 39 CO 0.02 -0.25 0.00 0.41 0.04 0.00 0.00 177.00 177.22 2q64 n GLY 40 N -0.02 0.98 3.78 0.56 0.00 -1.26 -5.03 105.19 104.21 2q64 n GLY 40 Ca 0.07 -2.16 -0.36 0.00 0.00 0.00 0.00 46.02 43.57 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 -1.31 3.00 0.17 4.61 0.00 -1.26 -5.08 121.76 121.89 2q64 s ALA 41 Ca 0.00 0.76 0.03 0.00 0.00 0.00 0.00 51.96 52.75 2q64 s ALA 41 Cb 0.00 -3.30 -0.05 0.00 0.00 0.00 0.00 23.12 19.77 2q64 s ALA 41 CO 0.00 -0.38 -0.03 1.67 0.00 0.00 0.00 175.76 177.02 2q64 s TRP 42 N -1.68 1.26 0.06 0.00 1.48 -1.26 -4.73 118.94 114.07 2q64 s TRP 42 Ca 0.62 -0.93 0.08 0.00 -1.06 0.00 0.00 56.10 54.81 2q64 s TRP 42 Cb -0.23 -0.71 -0.03 0.00 -1.16 0.00 0.00 33.47 31.34 2q64 s TRP 42 CO 0.28 -0.10 -0.20 0.15 -4.06 0.00 0.00 176.95 173.02 2q64 s LYS 43 N -3.86 1.94 0.55 3.25 1.02 -0.47 -4.92 119.74 117.26 2q64 s LYS 43 Ca 0.22 -1.05 -0.21 0.00 0.02 0.00 0.00 55.97 54.94 2q64 s LYS 43 Cb 0.05 -2.12 -0.05 0.00 -0.52 0.00 0.00 37.83 35.19 2q64 s LYS 43 CO 0.03 0.52 1.33 -2.14 -0.92 0.00 0.00 175.35 174.17 2q64 s PRO 44 N -1.52 3.13 -0.06 -1.68 0.02 -1.26 -0.76 135.00 132.88 2q64 s PRO 44 Ca 0.14 2.16 -0.30 0.00 0.02 0.00 0.00 61.00 63.03 2q64 s PRO 44 Cb -0.10 -2.22 0.07 0.00 0.02 0.00 0.00 34.50 32.27 2q64 s PRO 44 CO 0.05 -1.17 0.67 0.21 -0.33 0.00 0.00 177.00 176.43 2q64 s LYS 45 N -2.95 1.04 -0.07 5.54 2.36 -1.17 -4.82 119.74 119.67 2q64 s LYS 45 Ca 0.72 0.28 0.03 0.00 -2.55 0.00 0.00 55.97 54.45 2q64 s LYS 45 Cb -0.39 0.49 0.01 0.00 -1.05 0.00 0.00 37.83 36.89 2q64 s LYS 45 CO 0.45 -0.31 -0.16 -1.64 1.55 0.00 0.00 175.35 175.24 2q64 s MET 46 N -1.12 1.99 0.05 4.03 -1.94 -1.26 -1.91 119.30 119.14 2q64 s MET 46 Ca -0.11 -0.56 0.07 0.00 -1.71 0.00 0.00 55.69 53.39 2q64 s MET 46 Cb -0.00 -1.62 -0.03 0.00 2.01 0.00 0.00 34.83 35.19 2q64 s MET 46 CO 0.09 0.12 -0.20 0.96 -0.01 0.00 0.00 175.02 175.98 2q64 s ILE 47 N 0.41 1.65 -0.18 2.53 -4.36 -0.97 -4.99 121.20 115.30 2q64 s ILE 47 Ca -0.12 -1.25 -0.08 0.00 -0.26 0.00 0.00 60.65 58.93 2q64 s ILE 47 Cb -0.15 -1.45 -0.04 0.00 1.25 0.00 0.00 42.46 42.07 2q64 s ILE 47 CO 0.04 0.15 0.11 -0.83 0.24 0.00 0.00 174.94 174.65 2q64 s GLY 48 N -1.30 2.01 0.00 6.27 0.00 -1.26 -1.80 107.32 111.23 2q64 s GLY 48 Ca 0.07 -0.70 0.00 0.00 0.00 0.00 0.00 44.72 44.09 2q64 s GLY 48 CO 0.02 -0.01 0.00 0.61 0.00 0.00 0.00 173.10 173.72 2q64 n GLY 49 N 3.19 3.26 0.13 0.20 0.00 0.01 -5.00 105.19 106.99 2q64 n GLY 49 Ca -0.17 -1.75 -0.17 0.00 0.00 0.00 0.00 46.02 43.93 2q64 n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2q64 h ILE 50 N 0.00 1.45 0.00 -0.61 6.09 -2.03 -3.34 117.51 119.08 2q64 h ILE 50 Ca 0.00 -2.05 0.00 0.00 -1.37 0.00 0.00 64.86 61.44 2q64 h ILE 50 Cb 0.00 2.63 0.00 0.00 0.47 0.00 0.00 36.82 39.92 2q64 h ILE 50 CO 0.00 0.59 0.00 0.61 -3.07 0.00 0.00 178.15 176.28 2q64 n GLY 51 N 1.06 1.49 0.00 8.18 0.00 -1.26 -5.14 105.19 109.51 2q64 n GLY 51 Ca -0.10 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 0.00 0.89 3.28 -0.02 0.00 -1.25 -5.13 105.19 102.95 2q64 n GLY 52 Ca 0.00 -1.80 -0.24 0.00 0.00 0.00 0.00 46.02 43.98 2q64 n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2q64 s PHE 53 N -3.21 1.79 0.11 1.61 -0.12 -1.26 -0.81 117.98 116.09 2q64 s PHE 53 Ca 0.00 -0.41 0.10 0.00 -0.05 0.00 0.00 56.93 56.57 2q64 s PHE 53 Cb 0.00 -0.99 -0.04 0.00 -0.63 0.00 0.00 43.02 41.36 2q64 s PHE 53 CO 0.00 0.19 -0.26 0.96 -0.05 0.00 0.00 175.22 176.06 2q64 s ILE 54 N -1.11 2.32 -0.14 -4.49 -4.36 -0.75 -4.99 121.20 107.68 2q64 s ILE 54 Ca 0.06 -1.62 -0.25 0.00 -0.26 0.00 0.00 60.65 58.58 2q64 s ILE 54 Cb -0.10 -2.00 -0.02 0.00 1.25 0.00 0.00 42.46 41.59 2q64 s ILE 54 CO 0.04 0.17 0.81 -0.54 0.24 0.00 0.00 174.94 175.65 2q64 s LYS 55 N -1.85 4.33 0.26 0.37 1.02 -1.26 -2.29 119.74 120.32 2q64 s LYS 55 Ca 0.14 1.00 0.09 0.00 0.02 0.00 0.00 55.97 57.22 2q64 s LYS 55 Cb -0.10 -3.55 -0.05 0.00 -0.52 0.00 0.00 37.83 33.61 2q64 s LYS 55 CO 0.05 -0.24 -0.14 0.14 -0.92 0.00 0.00 175.35 174.24 2q64 s VAL 56 N 1.84 2.06 -0.25 3.17 -7.23 -0.80 -4.39 120.40 114.80 2q64 s VAL 56 Ca 0.38 -2.27 -0.13 0.00 -1.81 0.00 0.00 61.98 58.16 2q64 s VAL 56 Cb -0.17 -2.29 -0.04 0.00 0.56 0.00 0.00 36.38 34.44 2q64 s VAL 56 CO 0.14 -0.42 0.27 -0.13 -0.31 0.00 0.00 175.10 174.65 2q64 s ARG 57 N -3.60 4.05 -0.14 4.82 0.52 0.10 -3.02 118.95 121.68 2q64 s ARG 57 Ca 0.28 -0.10 -0.21 0.00 -0.52 0.00 0.00 55.73 55.18 2q64 s ARG 57 Cb -0.01 -3.60 -0.03 0.00 0.52 0.00 0.00 34.95 31.83 2q64 s ARG 57 CO 0.12 -0.10 0.61 -1.14 0.02 0.00 0.00 175.30 174.81 2q64 s GLN 58 N 1.52 4.31 -0.14 3.54 0.74 0.06 -1.35 119.66 128.35 2q64 s GLN 58 Ca 0.12 0.65 0.01 0.00 0.05 0.00 0.00 55.36 56.19 2q64 s GLN 58 Cb -0.15 -3.50 0.02 0.00 1.10 0.00 0.00 33.01 30.48 2q64 s GLN 58 CO 0.08 -0.04 -0.16 0.71 -0.55 0.00 0.00 175.29 175.33 2q64 s TYR 59 N 1.24 2.24 0.24 1.67 2.02 -0.48 -1.36 117.35 122.92 2q64 s TYR 59 Ca 0.31 -1.23 0.00 0.00 -0.37 0.00 0.00 57.07 55.79 2q64 s TYR 59 Cb -0.16 -1.62 -0.04 0.00 -0.40 0.00 0.00 41.96 39.74 2q64 s TYR 59 CO 0.13 -0.65 0.42 -0.51 -1.57 0.00 0.00 175.55 173.37 2q64 s ASP 60 N 1.32 6.36 -1.48 2.29 1.01 -1.26 -0.50 116.67 124.41 2q64 s ASP 60 Ca 0.02 0.35 -0.13 0.00 0.71 0.00 0.00 52.55 53.51 2q64 s ASP 60 Cb -0.13 -1.99 0.09 0.00 1.01 0.00 0.00 42.92 41.90 2q64 s ASP 60 CO -0.09 -0.10 0.75 0.00 0.21 0.00 0.00 175.17 175.95 2q64 n GLN 61 N -1.01 -4.32 -2.79 8.23 6.02 -1.18 -4.89 117.38 117.44 2q64 n GLN 61 Ca -0.05 0.54 -0.41 0.00 -0.01 0.00 0.00 57.00 57.06 2q64 n GLN 61 Cb 0.55 -5.34 -0.03 0.00 1.02 0.00 0.00 30.24 26.44 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 -3.15 4.91 0.02 5.09 -1.09 -0.33 -4.77 121.20 121.88 2q64 s ILE 62 Ca 0.56 1.92 -0.30 0.00 -2.23 0.00 0.00 60.65 60.60 2q64 s ILE 62 Cb -0.29 -4.25 -0.04 0.00 -1.58 0.00 0.00 42.46 36.30 2q64 s ILE 62 CO 0.69 0.18 1.00 -0.22 -1.23 0.00 0.00 174.94 175.36 2q64 s LEU 63 N 0.98 4.39 -0.02 2.97 2.96 -1.26 -1.88 118.68 126.82 2q64 s LEU 63 Ca 0.49 1.71 -0.00 0.00 -0.22 0.00 0.00 54.13 56.11 2q64 s LEU 63 Cb -0.20 -3.57 0.03 0.00 0.50 0.00 0.00 46.19 42.94 2q64 s LEU 63 CO 0.26 -0.25 0.04 -0.51 -1.32 0.00 0.00 176.35 174.56 2q64 s ILE 64 N 0.85 -0.06 -0.40 6.68 2.07 0.11 -4.47 121.20 125.98 2q64 s ILE 64 Ca 0.52 0.23 -0.16 0.00 -1.41 0.00 0.00 60.65 59.82 2q64 s ILE 64 Cb -0.22 -0.09 0.01 0.00 0.13 0.00 0.00 42.46 42.29 2q64 s ILE 64 CO 0.28 0.09 0.39 -0.70 -1.91 0.00 0.00 174.94 173.10 2q64 s GLU 65 N 1.14 3.17 -0.32 3.50 2.12 -0.15 -1.40 118.70 126.75 2q64 s GLU 65 Ca -0.08 -0.74 -0.08 0.00 0.36 0.00 0.00 54.97 54.43 2q64 s GLU 65 Cb -0.13 -3.93 0.02 0.00 0.26 0.00 0.00 34.13 30.34 2q64 s GLU 65 CO -0.03 -0.76 0.12 0.42 -0.54 0.00 0.00 175.26 174.47 2q64 s ILE 66 N 2.01 4.09 -1.11 -3.70 1.01 0.11 -1.32 121.20 122.29 2q64 s ILE 66 Ca 0.10 -0.80 -0.06 0.00 0.00 0.00 0.00 60.65 59.89 2q64 s ILE 66 Cb -0.17 -3.19 0.05 0.00 0.01 0.00 0.00 42.46 39.16 2q64 s ILE 66 CO 0.12 -0.04 0.31 0.00 0.00 0.00 0.00 174.94 175.34 2q64 n GLY 68 N -1.00 0.61 3.40 0.00 0.00 -1.26 -5.05 105.19 101.88 2q64 n GLY 68 Ca -0.05 -0.25 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 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 2.96 0.19 1.61 4.02 0.16 -5.12 115.29 117.12 2q64 s HIS 69 Ca 0.00 -0.61 -0.27 0.00 1.02 0.00 0.00 55.06 55.19 2q64 s HIS 69 Cb 0.00 -2.01 -0.08 0.00 -1.02 0.00 0.00 32.58 29.47 2q64 s HIS 69 CO 0.00 -0.28 0.85 0.15 1.02 0.00 0.00 174.74 176.48 2q64 s LYS 70 N 0.85 4.70 -0.10 1.40 1.02 -1.26 0.04 119.74 126.39 2q64 s LYS 70 Ca -0.01 1.31 -0.13 0.00 0.02 0.00 0.00 55.97 57.16 2q64 s LYS 70 Cb -0.15 -3.28 0.03 0.00 -0.52 0.00 0.00 37.83 33.92 2q64 s LYS 70 CO 0.01 0.53 0.34 0.00 -0.92 0.00 0.00 175.35 175.31 2q64 s ALA 71 N -1.08 -0.84 -0.10 5.17 0.00 -0.50 -4.87 121.76 119.54 2q64 s ALA 71 Ca 0.38 0.83 0.02 0.00 0.00 0.00 0.00 51.96 53.19 2q64 s ALA 71 Cb -0.24 -0.42 -0.02 0.00 0.00 0.00 0.00 23.12 22.44 2q64 s ALA 71 CO 0.29 -0.19 -0.16 0.42 0.00 0.00 0.00 175.76 176.12 2q64 s ILE 72 N -0.16 2.83 0.04 0.00 1.01 -1.26 -0.71 121.20 122.96 2q64 s ILE 72 Ca -0.03 -0.76 -0.14 0.00 0.00 0.00 0.00 60.65 59.72 2q64 s ILE 72 Cb -0.03 -2.14 0.05 0.00 0.01 0.00 0.00 42.46 40.34 2q64 s ILE 72 CO 0.01 0.55 0.63 0.61 0.00 0.00 0.00 174.94 176.75 2q64 n GLY 73 N 3.17 0.66 3.68 6.18 0.00 -0.79 -4.92 105.19 113.18 2q64 n GLY 73 Ca -0.18 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.42 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 4.07 -0.09 2.61 2.01 -1.26 -1.19 115.64 119.61 2q64 s THR 74 Ca 0.15 1.40 0.02 0.00 0.31 0.00 0.00 61.69 63.57 2q64 s THR 74 Cb -0.01 -3.90 -0.02 0.00 0.01 0.00 0.00 72.50 68.58 2q64 s THR 74 CO 0.01 -0.02 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.10 2q64 s VAL 75 N 2.45 3.03 -0.13 3.82 1.01 0.35 -4.40 120.40 126.53 2q64 s VAL 75 Ca 0.59 -0.70 -0.05 0.00 0.00 0.00 0.00 61.98 61.82 2q64 s VAL 75 Cb -0.27 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 2q64 s VAL 75 CO 0.23 0.56 0.05 -0.76 0.00 0.00 0.00 175.10 175.17 2q64 s LEU 76 N -0.22 3.80 -0.06 3.92 1.02 0.37 -1.38 118.68 126.13 2q64 s LEU 76 Ca 0.01 0.18 0.05 0.00 0.02 0.00 0.00 54.13 54.39 2q64 s LEU 76 Cb -0.13 -1.91 -0.01 0.00 0.02 0.00 0.00 46.19 44.16 2q64 s LEU 76 CO 0.03 0.31 -0.24 0.68 0.02 0.00 0.00 176.35 177.15 2q64 s VAL 77 N -0.47 1.97 -0.07 -1.59 -7.23 -0.45 0.34 120.40 112.90 2q64 s VAL 77 Ca 0.09 -1.01 0.00 0.00 -1.81 0.00 0.00 61.98 59.26 2q64 s VAL 77 Cb -0.12 -1.68 0.00 0.00 0.56 0.00 0.00 36.38 35.14 2q64 s VAL 77 CO 0.02 0.55 0.00 0.61 -0.31 0.00 0.00 175.10 175.97 2q64 n GLY 78 N 3.09 -1.23 2.61 2.32 0.00 -0.51 0.02 105.19 111.49 2q64 n GLY 78 Ca -0.18 -0.82 -0.35 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.00 2.71 -3.49 1.61 -0.04 -1.26 -3.44 135.00 131.09 2q64 n PRO 79 Ca 0.00 -2.01 -0.38 0.00 -0.04 0.00 0.00 63.50 61.07 2q64 n PRO 79 Cb 0.00 -2.82 -0.06 0.00 -0.04 0.00 0.00 33.50 30.58 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 3.19 5.12 -0.30 0.52 -1.32 -1.26 -5.01 115.64 116.58 2q64 s THR 80 Ca 0.54 0.79 0.27 0.00 -1.21 0.00 0.00 61.69 62.08 2q64 s THR 80 Cb 0.14 -3.71 0.30 0.00 -1.51 0.00 0.00 72.50 67.73 2q64 s THR 80 CO -0.03 0.51 1.80 1.55 -2.21 0.00 0.00 174.62 176.24 2q64 h PRO 81 N 5.38 0.00 -3.25 7.08 0.13 -1.98 -3.41 132.00 135.94 2q64 h PRO 81 Ca -0.48 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.45 2q64 h PRO 81 Cb 1.20 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.06 2q64 h PRO 81 CO 0.66 0.00 -0.52 0.08 -0.23 0.00 0.00 178.00 177.99 2q64 s VAL 82 N -3.42 -0.01 0.01 1.56 1.01 -1.26 -5.06 120.40 113.23 2q64 s VAL 82 Ca 0.03 0.05 -0.30 0.00 0.00 0.00 0.00 61.98 61.76 2q64 s VAL 82 Cb 0.09 -0.27 -0.06 0.00 0.00 0.00 0.00 36.38 36.14 2q64 s VAL 82 CO 0.45 0.02 1.52 0.20 0.00 0.00 0.00 175.10 177.29 2q64 s ASN 83 N 0.45 6.74 -0.16 3.32 0.01 -1.26 -4.70 114.94 119.35 2q64 s ASN 83 Ca -0.03 2.25 0.01 0.00 -0.71 0.00 0.00 52.86 54.38 2q64 s ASN 83 Cb -0.04 -2.56 0.01 0.00 0.41 0.00 0.00 41.25 39.06 2q64 s ASN 83 CO -0.02 -0.81 -0.18 -0.63 -1.51 0.00 0.00 177.10 173.95 2q64 s ILE 84 N 2.74 2.37 -0.47 0.60 1.01 0.83 0.22 121.20 128.51 2q64 s ILE 84 Ca 0.68 -0.86 -0.17 0.00 0.00 0.00 0.00 60.65 60.30 2q64 s ILE 84 Cb -0.34 -1.98 0.05 0.00 0.01 0.00 0.00 42.46 40.19 2q64 s ILE 84 CO 0.29 0.53 0.49 -0.63 0.00 0.00 0.00 174.94 175.61 2q64 s ILE 85 N 0.91 5.06 0.44 2.92 -1.09 0.26 -0.77 121.20 128.93 2q64 s ILE 85 Ca -0.04 -0.66 -0.02 0.00 -2.23 0.00 0.00 60.65 57.71 2q64 s ILE 85 Cb -0.15 -4.16 0.09 0.00 -1.58 0.00 0.00 42.46 36.66 2q64 s ILE 85 CO -0.03 -0.62 0.60 0.61 -1.23 0.00 0.00 174.94 174.28 2q64 n GLY 86 N 5.17 0.36 0.20 6.18 0.00 -1.14 -1.74 105.19 114.22 2q64 n GLY 86 Ca -0.09 -1.95 0.04 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 -0.82 1.61 3.08 -0.84 -1.87 114.38 115.53 2q64 h ARG 87 Ca -0.20 0.00 0.20 0.00 0.07 0.00 0.00 59.98 60.05 2q64 h ARG 87 Cb 0.69 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.69 2q64 h ARG 87 CO 0.20 0.30 0.56 -2.95 -1.07 0.00 0.00 179.97 177.01 2q64 h ASN 88 N 0.00 0.27 0.05 7.04 -1.07 -1.81 -1.97 115.58 118.09 2q64 h ASN 88 Ca -0.00 0.02 -0.37 0.00 0.07 0.00 0.00 56.30 56.02 2q64 h ASN 88 Cb 0.56 -0.03 -0.06 0.00 -2.07 0.00 0.00 38.32 36.72 2q64 h ASN 88 CO 0.04 0.12 -2.34 0.18 0.07 0.00 0.00 177.43 175.50 2q64 n LEU 89 N -4.44 1.49 -0.23 6.14 4.32 -0.88 -4.35 117.00 119.05 2q64 n LEU 89 Ca 0.17 -0.00 -0.01 0.00 -0.02 0.00 0.00 56.01 56.14 2q64 n LEU 89 Cb 0.71 -0.23 0.10 0.00 -1.62 0.00 0.00 43.42 42.38 2q64 n LEU 89 CO 0.33 0.70 1.09 -0.07 -1.22 0.00 0.00 177.39 178.22 2q64 h LEU 90 N 0.01 0.54 -2.37 2.23 3.38 -1.13 -0.58 115.31 117.39 2q64 h LEU 90 Ca -0.53 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.47 2q64 h LEU 90 Cb 2.07 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 42.75 2q64 h LEU 90 CO -0.01 0.35 -0.02 0.71 0.09 0.00 0.00 178.44 179.55 2q64 h THR 91 N 0.68 0.54 0.00 0.22 1.35 -1.59 -1.60 112.91 112.52 2q64 h THR 91 Ca 0.31 -0.09 -0.06 0.00 -0.55 0.00 0.00 66.41 66.01 2q64 h THR 91 Cb 0.21 1.06 -0.01 0.00 -1.73 0.00 0.00 68.15 67.68 2q64 h THR 91 CO -0.19 0.02 -0.29 1.56 -0.25 0.00 0.00 175.52 176.36 2q64 h GLN 92 N 0.00 0.00 -0.44 4.72 1.08 -1.30 -3.12 115.11 116.05 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 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.49 2q64 h GLN 92 CO 0.00 0.29 0.00 0.44 -0.95 0.00 0.00 178.83 178.62 2q64 n ILE 93 N -3.22 2.44 -2.70 2.54 -5.35 -1.06 -4.91 119.36 107.10 2q64 n ILE 93 Ca 0.02 -1.58 -0.20 0.00 -0.27 0.00 0.00 62.75 60.72 2q64 n ILE 93 Cb 0.60 -0.21 0.02 0.00 -1.74 0.00 0.00 39.64 38.31 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 0.18 -0.41 3.69 3.28 0.00 -1.16 -4.95 105.19 105.82 2q64 n GLY 94 Ca 0.24 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 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 1.89 1.92 0.03 0.00 -4.23 -1.26 -4.67 115.64 109.32 2q64 s THR 96 Ca 0.49 -1.78 -0.17 0.00 -1.18 0.00 0.00 61.69 59.05 2q64 s THR 96 Cb -0.19 -1.81 -0.06 0.00 1.34 0.00 0.00 72.50 71.78 2q64 s THR 96 CO 0.19 -0.14 0.48 -0.76 -0.54 0.00 0.00 174.62 173.85 2q64 s LEU 97 N -2.32 4.50 -0.06 4.79 1.43 -1.26 -5.10 118.68 120.66 2q64 s LEU 97 Ca 0.13 1.09 0.03 0.00 -1.03 0.00 0.00 54.13 54.35 2q64 s LEU 97 Cb -0.08 -2.72 0.00 0.00 0.03 0.00 0.00 46.19 43.42 2q64 s LEU 97 CO 0.06 0.30 -0.15 0.20 0.23 0.00 0.00 176.35 176.98 2q64 s ASN 98 N -1.06 2.07 0.00 2.29 -0.87 -1.26 -5.29 114.94 110.82 2q64 s ASN 98 Ca 0.26 -0.35 0.00 0.00 -1.57 0.00 0.00 52.86 51.20 2q64 s ASN 98 Cb -0.18 -0.79 0.00 0.00 -0.02 0.00 0.00 41.25 40.26 2q64 s ASN 98 CO 0.16 0.10 0.00 2.22 -2.57 0.00 0.00 177.10 177.00