#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q63 s GLN 2 N 0.00 3.63 -0.22 0.54 0.74 -1.26 -5.10 119.66 117.99 2q63 s GLN 2 Ca 0.00 -0.46 0.00 0.00 0.05 0.00 0.00 55.36 54.96 2q63 s GLN 2 Cb 0.00 -2.96 0.03 0.00 1.10 0.00 0.00 33.01 31.17 2q63 s GLN 2 CO 0.00 0.33 -0.13 0.42 -0.55 0.00 0.00 175.29 175.36 2q63 s ILE 3 N 0.14 2.40 0.86 -2.34 1.01 -1.26 -5.12 121.20 116.89 2q63 s ILE 3 Ca 0.01 -1.09 -0.13 0.00 0.00 0.00 0.00 60.65 59.43 2q63 s ILE 3 Cb -0.13 -2.17 0.12 0.00 0.01 0.00 0.00 42.46 40.29 2q63 s ILE 3 CO 0.02 0.31 1.21 0.42 0.00 0.00 0.00 174.94 176.90 2q63 s THR 4 N 1.27 1.99 -0.14 2.92 -4.23 -1.26 -5.01 115.64 111.17 2q63 s THR 4 Ca 0.01 0.00 0.16 0.00 -1.18 0.00 0.00 61.69 60.67 2q63 s THR 4 Cb -0.16 -2.97 0.32 0.00 1.34 0.00 0.00 72.50 71.03 2q63 s THR 4 CO -0.08 0.00 1.16 0.18 -0.54 0.00 0.00 174.62 175.34 2q63 n LEU 5 N -3.49 2.30 0.15 4.79 4.77 -1.26 -4.55 117.00 119.70 2q63 n LEU 5 Ca 0.10 -3.20 0.00 0.00 -0.03 0.00 0.00 56.01 52.88 2q63 n LEU 5 Cb 0.60 -0.43 0.27 0.00 -2.33 0.00 0.00 43.42 41.54 2q63 n LEU 5 CO 0.54 0.89 0.64 -0.50 -1.33 0.00 0.00 177.39 177.63 2q63 h TRP 6 N 0.32 0.07 -1.90 -1.77 4.06 -2.06 -3.43 115.95 111.24 2q63 h TRP 6 Ca -0.01 -0.02 -0.60 0.00 2.06 0.00 0.00 58.89 60.32 2q63 h TRP 6 Cb 1.04 -0.02 -0.12 0.00 -1.00 0.00 0.00 29.16 29.07 2q63 h TRP 6 CO 0.24 0.51 -0.64 -0.65 -3.56 0.00 0.00 178.44 174.33 2q63 s GLN 7 N -4.02 1.95 0.29 0.49 -1.52 -1.26 -5.10 119.66 110.48 2q63 s GLN 7 Ca -0.03 -1.87 -0.30 0.00 -1.95 0.00 0.00 55.36 51.21 2q63 s GLN 7 Cb 0.14 -1.80 -0.13 0.00 -0.22 0.00 0.00 33.01 31.00 2q63 s GLN 7 CO 0.75 0.12 1.38 0.54 -0.25 0.00 0.00 175.29 177.82 2q63 n ARG 8 N -0.88 2.15 -2.17 2.91 1.74 -1.26 -4.87 116.66 114.28 2q63 n ARG 8 Ca -0.05 0.76 -0.43 0.00 -0.77 0.00 0.00 57.85 57.37 2q63 n ARG 8 Cb 0.63 -2.40 0.00 0.00 -1.02 0.00 0.00 32.46 29.67 2q63 n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2q63 n PRO 9 N 1.38 3.10 -3.16 5.56 -0.04 -1.26 -4.96 135.00 135.62 2q63 n PRO 9 Ca 0.08 -3.03 -0.39 0.00 -0.04 0.00 0.00 63.50 60.13 2q63 n PRO 9 Cb 0.34 -3.29 -0.06 0.00 -0.04 0.00 0.00 33.50 30.45 2q63 n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2q63 s LEU 10 N 2.52 4.43 0.12 1.53 1.43 -1.26 -0.94 118.68 126.51 2q63 s LEU 10 Ca 0.48 1.24 0.04 0.00 -1.03 0.00 0.00 54.13 54.85 2q63 s LEU 10 Cb 0.09 -2.99 -0.04 0.00 0.03 0.00 0.00 46.19 43.28 2q63 s LEU 10 CO -0.02 0.10 -0.09 0.68 0.23 0.00 0.00 176.35 177.25 2q63 s VAL 11 N -0.24 0.98 -0.04 -1.59 -7.23 0.11 -4.93 120.40 107.46 2q63 s VAL 11 Ca 0.33 -1.88 -0.24 0.00 -1.81 0.00 0.00 61.98 58.37 2q63 s VAL 11 Cb -0.19 -1.64 -0.04 0.00 0.56 0.00 0.00 36.38 35.07 2q63 s VAL 11 CO 0.19 -0.71 0.74 -0.89 -0.31 0.00 0.00 175.10 174.11 2q63 s THR 12 N -3.08 4.97 0.22 5.32 2.01 -1.26 -0.44 115.64 123.38 2q63 s THR 12 Ca 0.12 1.53 0.11 0.00 0.31 0.00 0.00 61.69 63.76 2q63 s THR 12 Cb 0.01 -4.08 -0.05 0.00 0.01 0.00 0.00 72.50 68.40 2q63 s THR 12 CO -0.01 0.27 -0.20 0.27 -0.69 0.00 0.00 174.62 174.26 2q63 s ILE 13 N 0.63 2.55 -0.11 1.82 -4.36 0.15 -1.72 121.20 120.17 2q63 s ILE 13 Ca 0.39 -2.10 0.02 0.00 -0.26 0.00 0.00 60.65 58.70 2q63 s ILE 13 Cb -0.19 -2.27 0.01 0.00 1.25 0.00 0.00 42.46 41.26 2q63 s ILE 13 CO 0.20 -0.22 -0.15 -0.75 0.24 0.00 0.00 174.94 174.26 2q63 s LYS 14 N -3.00 2.21 -0.18 0.37 2.20 0.51 -1.13 119.74 120.73 2q63 s LYS 14 Ca 0.25 -0.56 -0.12 0.00 -0.36 0.00 0.00 55.97 55.18 2q63 s LYS 14 Cb -0.07 -1.89 0.06 0.00 -1.51 0.00 0.00 37.83 34.42 2q63 s LYS 14 CO 0.13 -0.07 0.44 -1.50 -0.36 0.00 0.00 175.35 173.99 2q63 s ILE 15 N 1.00 -0.02 -1.31 5.43 2.07 -0.50 -0.41 121.20 127.46 2q63 s ILE 15 Ca -0.06 0.06 -0.05 0.00 -1.41 0.00 0.00 60.65 59.19 2q63 s ILE 15 Cb -0.15 -0.64 0.03 0.00 0.13 0.00 0.00 42.46 41.83 2q63 s ILE 15 CO -0.02 0.02 0.33 0.61 -1.91 0.00 0.00 174.94 173.98 2q63 n GLY 16 N 3.85 -0.50 2.79 1.50 0.00 -1.26 -1.42 105.19 110.16 2q63 n GLY 16 Ca -0.20 0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2q63 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2q63 n GLY 17 N -1.13 1.00 3.62 -0.02 0.00 -1.26 -5.02 105.19 102.37 2q63 n GLY 17 Ca -0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 2q63 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2q63 s GLN 18 N -0.07 2.42 -0.18 1.61 -0.21 -0.51 -5.11 119.66 117.61 2q63 s GLN 18 Ca 0.00 -0.85 -0.11 0.00 0.02 0.00 0.00 55.36 54.42 2q63 s GLN 18 Cb 0.00 -2.45 -0.05 0.00 1.00 0.00 0.00 33.01 31.51 2q63 s GLN 18 CO 0.00 0.55 0.17 -0.51 -2.12 0.00 0.00 175.29 173.39 2q63 s LEU 19 N -1.92 4.24 0.12 2.90 1.43 -1.26 -1.41 118.68 122.79 2q63 s LEU 19 Ca 0.21 0.33 -0.00 0.00 -1.03 0.00 0.00 54.13 53.64 2q63 s LEU 19 Cb -0.11 -2.16 -0.04 0.00 0.03 0.00 0.00 46.19 43.91 2q63 s LEU 19 CO 0.12 0.19 0.03 -0.54 0.23 0.00 0.00 176.35 176.38 2q63 s LYS 20 N 0.20 0.91 -0.09 1.70 1.02 -0.28 -4.99 119.74 118.20 2q63 s LYS 20 Ca 0.11 -1.42 -0.03 0.00 0.02 0.00 0.00 55.97 54.65 2q63 s LYS 20 Cb -0.12 0.13 -0.03 0.00 -0.52 0.00 0.00 37.83 37.29 2q63 s LYS 20 CO 0.00 -0.21 0.03 -2.00 -0.92 0.00 0.00 175.35 172.25 2q63 s GLU 21 N -4.00 3.08 0.03 1.68 2.12 -1.26 0.31 118.70 120.66 2q63 s GLU 21 Ca 0.21 -0.36 -0.00 0.00 0.36 0.00 0.00 54.97 55.18 2q63 s GLU 21 Cb 0.07 -2.87 -0.03 0.00 0.26 0.00 0.00 34.13 31.56 2q63 s GLU 21 CO 0.00 0.71 -0.03 0.00 -0.54 0.00 0.00 175.26 175.40 2q63 s ALA 22 N -0.89 0.31 -0.22 6.30 0.00 0.42 -4.42 121.76 123.26 2q63 s ALA 22 Ca 0.13 -0.89 -0.10 0.00 0.00 0.00 0.00 51.96 51.10 2q63 s ALA 22 Cb -0.11 0.21 -0.05 0.00 0.00 0.00 0.00 23.12 23.16 2q63 s ALA 22 CO 0.03 -0.26 0.14 -1.17 0.00 0.00 0.00 175.76 174.50 2q63 s LEU 23 N -2.16 4.16 -0.27 0.00 2.96 0.35 0.07 118.68 123.80 2q63 s LEU 23 Ca -0.05 0.17 -0.29 0.00 -0.22 0.00 0.00 54.13 53.74 2q63 s LEU 23 Cb -0.01 -2.10 -0.00 0.00 0.50 0.00 0.00 46.19 44.58 2q63 s LEU 23 CO -0.05 0.13 1.32 -0.76 -1.32 0.00 0.00 176.35 175.67 2q63 s LEU 24 N 0.69 3.93 -0.40 -0.68 1.43 -0.11 -0.56 118.68 122.98 2q63 s LEU 24 Ca 0.08 1.32 0.02 0.00 -1.03 0.00 0.00 54.13 54.52 2q63 s LEU 24 Cb -0.12 -3.54 0.12 0.00 0.03 0.00 0.00 46.19 42.68 2q63 s LEU 24 CO 0.01 -1.05 0.17 -0.62 0.23 0.00 0.00 176.35 175.09 2q63 s ASP 25 N 2.80 4.04 0.56 2.29 -1.08 -0.32 -4.76 116.67 120.20 2q63 s ASP 25 Ca 0.57 -2.33 0.29 0.00 -0.52 0.00 0.00 52.55 50.57 2q63 s ASP 25 Cb -0.18 -1.17 1.69 0.00 -1.46 0.00 0.00 42.92 41.80 2q63 s ASP 25 CO 0.22 -0.32 2.18 0.71 0.52 0.00 0.00 175.17 178.48 2q63 h THR 26 N 5.85 0.52 -0.06 1.71 1.35 -1.93 -2.22 112.91 118.12 2q63 h THR 26 Ca -0.06 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 2q63 h THR 26 Cb 0.96 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 2q63 h THR 26 CO 0.51 0.05 0.00 0.61 -0.25 0.00 0.00 175.52 176.44 2q63 n GLY 27 N -1.03 -0.46 3.34 5.82 0.00 -1.26 -4.78 105.19 106.83 2q63 n GLY 27 Ca -0.02 -0.25 -0.35 0.00 0.00 0.00 0.00 46.02 45.39 2q63 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2q63 s ALA 28 N -1.92 2.85 0.36 4.61 0.00 -0.83 -4.99 121.76 121.84 2q63 s ALA 28 Ca 0.31 -1.13 0.09 0.00 0.00 0.00 0.00 51.96 51.24 2q63 s ALA 28 Cb 0.16 -1.71 0.68 0.00 0.00 0.00 0.00 23.12 22.25 2q63 s ALA 28 CO 0.25 -0.36 1.84 -0.44 0.00 0.00 0.00 175.76 177.05 2q63 h ASP 29 N 7.96 0.18 -2.00 0.00 3.32 -1.86 -0.25 116.42 123.77 2q63 h ASP 29 Ca -0.40 -0.05 -0.62 0.00 0.02 0.00 0.00 57.03 55.98 2q63 h ASP 29 Cb 1.17 -0.05 -0.13 0.00 0.22 0.00 0.00 39.33 40.53 2q63 h ASP 29 CO 0.60 0.45 -0.70 0.20 -1.72 0.00 0.00 179.24 178.07 2q63 s ASN 30 N -6.89 3.73 -0.21 6.45 -0.87 -1.26 -3.31 114.94 112.58 2q63 s ASN 30 Ca -0.05 -1.14 -0.10 0.00 -1.57 0.00 0.00 52.86 50.01 2q63 s ASN 30 Cb 0.15 -0.35 -0.05 0.00 -0.02 0.00 0.00 41.25 40.98 2q63 s ASN 30 CO 0.74 -0.14 0.13 -0.89 -2.57 0.00 0.00 177.10 174.36 2q63 s THR 31 N -2.58 5.26 -0.10 1.60 2.01 -1.26 -3.12 115.64 117.46 2q63 s THR 31 Ca 0.32 0.14 -0.00 0.00 0.31 0.00 0.00 61.69 62.46 2q63 s THR 31 Cb 0.00 -3.41 0.02 0.00 0.01 0.00 0.00 72.50 69.13 2q63 s THR 31 CO 0.16 0.41 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.76 2q63 s VAL 32 N 0.59 0.84 0.09 3.82 1.01 0.28 -0.71 120.40 126.32 2q63 s VAL 32 Ca 0.07 -0.18 0.08 0.00 0.00 0.00 0.00 61.98 61.94 2q63 s VAL 32 Cb -0.12 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 2q63 s VAL 32 CO 0.00 0.33 -0.14 -0.76 0.00 0.00 0.00 175.10 174.54 2q63 s LEU 33 N 1.68 2.86 1.11 3.92 1.43 0.64 -0.32 118.68 129.99 2q63 s LEU 33 Ca 0.03 -0.44 -0.15 0.00 -1.03 0.00 0.00 54.13 52.53 2q63 s LEU 33 Cb -0.13 -1.68 0.16 0.00 0.03 0.00 0.00 46.19 44.58 2q63 s LEU 33 CO -0.06 0.20 0.47 -0.62 0.23 0.00 0.00 176.35 176.56 2q63 n GLU 34 N 0.91 -1.66 -1.68 1.70 1.02 -1.25 -1.15 120.64 118.53 2q63 n GLU 34 Ca -0.15 -0.46 -0.53 0.00 -0.02 0.00 0.00 57.16 56.00 2q63 n GLU 34 Cb 0.52 -1.92 -0.06 0.00 -0.02 0.00 0.00 31.44 29.96 2q63 n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2q63 n GLU 35 N -3.13 1.49 -3.60 3.49 4.07 -1.24 -4.44 120.64 117.27 2q63 n GLU 35 Ca 0.03 0.54 -0.14 0.00 -0.06 0.00 0.00 57.16 57.54 2q63 n GLU 35 Cb 0.58 -2.27 -0.06 0.00 -0.06 0.00 0.00 31.44 29.63 2q63 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2q63 s MET 36 N 2.98 0.99 -0.00 5.31 0.23 -1.26 -5.04 119.30 122.50 2q63 s MET 36 Ca 0.93 -0.25 -0.24 0.00 -1.03 0.00 0.00 55.69 55.10 2q63 s MET 36 Cb -0.93 0.45 -0.05 0.00 -1.53 0.00 0.00 34.83 32.78 2q63 s MET 36 CO 0.57 -0.35 0.73 0.45 -2.03 0.00 0.00 175.02 174.39 2q63 s SER 37 N -1.93 7.11 0.01 -1.18 0.15 -1.26 -5.03 113.70 111.56 2q63 s SER 37 Ca -0.06 1.33 0.03 0.00 0.70 0.00 0.00 55.95 57.95 2q63 s SER 37 Cb -0.01 -2.44 -0.01 0.00 -1.71 0.00 0.00 66.02 61.85 2q63 s SER 37 CO -0.01 -0.04 -0.10 -0.76 1.20 0.00 0.00 173.24 173.53 2q63 s LEU 38 N 0.30 2.08 0.61 3.45 1.43 -1.26 -4.97 118.68 120.31 2q63 s LEU 38 Ca 0.38 -0.27 -0.18 0.00 -1.03 0.00 0.00 54.13 53.03 2q63 s LEU 38 Cb -0.19 -0.47 -0.03 0.00 0.03 0.00 0.00 46.19 45.53 2q63 s LEU 38 CO 0.21 0.06 1.16 -2.16 0.23 0.00 0.00 176.35 175.85 2q63 s PRO 39 N -0.57 2.96 0.00 1.29 0.04 -1.26 -4.87 135.00 132.60 2q63 s PRO 39 Ca 0.02 1.66 0.00 0.00 0.04 0.00 0.00 61.00 62.72 2q63 s PRO 39 Cb -0.05 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.54 2q63 s PRO 39 CO 0.00 -1.17 0.00 0.41 0.04 0.00 0.00 177.00 176.28 2q63 n GLY 40 N 0.17 0.89 3.86 0.56 0.00 -1.26 -4.98 105.19 104.44 2q63 n GLY 40 Ca 0.12 -1.91 -0.32 0.00 0.00 0.00 0.00 46.02 43.91 2q63 n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2q63 s ARG 41 N -2.09 3.88 0.35 1.61 3.52 -1.26 -5.10 118.95 119.84 2q63 s ARG 41 Ca 0.00 0.43 0.03 0.00 -0.13 0.00 0.00 55.73 56.07 2q63 s ARG 41 Cb 0.00 -2.55 -0.05 0.00 -1.56 0.00 0.00 34.95 30.79 2q63 s ARG 41 CO 0.00 0.24 0.08 1.67 -0.81 0.00 0.00 175.30 176.48 2q63 s TRP 42 N -1.91 1.88 -0.00 5.12 1.48 -1.26 -4.68 118.94 119.56 2q63 s TRP 42 Ca 0.50 -1.07 0.04 0.00 -1.06 0.00 0.00 56.10 54.51 2q63 s TRP 42 Cb -0.11 -1.22 -0.01 0.00 -1.16 0.00 0.00 33.47 30.97 2q63 s TRP 42 CO 0.20 -0.10 -0.12 0.15 -4.06 0.00 0.00 176.95 173.02 2q63 s LYS 43 N -3.86 0.97 0.48 3.25 1.02 -0.88 -4.91 119.74 115.81 2q63 s LYS 43 Ca 0.32 -0.49 -0.23 0.00 0.02 0.00 0.00 55.97 55.59 2q63 s LYS 43 Cb 0.07 -0.94 -0.07 0.00 -0.52 0.00 0.00 37.83 36.37 2q63 s LYS 43 CO 0.15 0.25 1.29 -1.25 -0.92 0.00 0.00 175.35 174.87 2q63 s PRO 44 N -0.44 3.57 -0.18 -1.68 0.04 -1.26 -0.20 135.00 134.85 2q63 s PRO 44 Ca 0.04 2.08 -0.12 0.00 0.04 0.00 0.00 61.00 63.04 2q63 s PRO 44 Cb -0.05 -2.45 0.06 0.00 0.04 0.00 0.00 34.50 32.09 2q63 s PRO 44 CO -0.00 -0.79 0.45 0.21 0.04 0.00 0.00 177.00 176.90 2q63 s LYS 45 N -2.65 0.47 -0.15 4.56 2.20 -0.52 -4.84 119.74 118.82 2q63 s LYS 45 Ca 0.65 0.77 -0.16 0.00 -0.36 0.00 0.00 55.97 56.87 2q63 s LYS 45 Cb -0.36 0.09 -0.04 0.00 -1.51 0.00 0.00 37.83 36.01 2q63 s LYS 45 CO 0.44 -0.12 0.39 -1.64 -0.36 0.00 0.00 175.35 174.06 2q63 s MET 46 N 1.00 4.29 -0.02 4.03 -1.94 -1.26 -0.09 119.30 125.30 2q63 s MET 46 Ca -0.06 0.27 0.08 0.00 -1.71 0.00 0.00 55.69 54.26 2q63 s MET 46 Cb -0.06 -3.44 -0.02 0.00 2.01 0.00 0.00 34.83 33.32 2q63 s MET 46 CO -0.09 0.17 -0.25 0.96 -0.01 0.00 0.00 175.02 175.80 2q63 s ILE 47 N 0.64 1.97 -0.17 2.53 -4.36 -0.78 -4.98 121.20 116.04 2q63 s ILE 47 Ca 0.21 -1.06 -0.08 0.00 -0.26 0.00 0.00 60.65 59.46 2q63 s ILE 47 Cb -0.14 -1.63 -0.04 0.00 1.25 0.00 0.00 42.46 41.89 2q63 s ILE 47 CO 0.07 0.56 0.11 -0.83 0.24 0.00 0.00 174.94 175.09 2q63 s GLY 48 N -0.57 2.03 0.00 6.27 0.00 -1.26 -1.67 107.32 112.11 2q63 s GLY 48 Ca 0.09 -0.70 0.00 0.00 0.00 0.00 0.00 44.72 44.12 2q63 s GLY 48 CO -0.01 -0.06 0.00 0.61 0.00 0.00 0.00 173.10 173.64 2q63 n GLY 49 N 3.03 7.09 3.74 0.20 0.00 -0.49 -5.02 105.19 113.74 2q63 n GLY 49 Ca -0.17 -1.95 -0.41 0.00 0.00 0.00 0.00 46.02 43.48 2q63 n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2q63 s ILE 50 N 1.19 3.56 0.00 -0.61 1.01 -1.26 -3.58 121.20 121.51 2q63 s ILE 50 Ca 0.00 1.32 0.00 0.00 0.00 0.00 0.00 60.65 61.97 2q63 s ILE 50 Cb 0.00 -3.84 0.00 0.00 0.01 0.00 0.00 42.46 38.63 2q63 s ILE 50 CO 0.00 0.22 0.00 0.61 0.00 0.00 0.00 174.94 175.77 2q63 n GLY 51 N 2.15 1.00 0.00 6.18 0.00 -1.26 -4.91 105.19 108.35 2q63 n GLY 51 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2q63 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2q63 n GLY 52 N -2.00 0.57 3.28 -0.02 0.00 -1.23 -5.13 105.19 100.66 2q63 n GLY 52 Ca 0.00 -1.64 -0.25 0.00 0.00 0.00 0.00 46.02 44.13 2q63 n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2q63 s PHE 53 N -3.11 1.82 0.14 1.61 -0.71 -1.26 -1.40 117.98 115.07 2q63 s PHE 53 Ca 0.00 -0.40 0.08 0.00 -1.04 0.00 0.00 56.93 55.57 2q63 s PHE 53 Cb 0.00 -1.03 -0.04 0.00 -1.21 0.00 0.00 43.02 40.74 2q63 s PHE 53 CO 0.00 0.18 -0.19 0.96 -1.34 0.00 0.00 175.22 174.83 2q63 s ILE 54 N -1.04 1.74 -0.05 -4.49 -4.36 -0.67 -4.99 121.20 107.35 2q63 s ILE 54 Ca 0.07 -1.75 -0.20 0.00 -0.26 0.00 0.00 60.65 58.51 2q63 s ILE 54 Cb -0.10 -1.70 -0.05 0.00 1.25 0.00 0.00 42.46 41.87 2q63 s ILE 54 CO 0.04 -0.21 0.57 0.00 0.24 0.00 0.00 174.94 175.57 2q63 s ALA 55 N -1.68 3.46 0.25 2.27 0.00 -1.26 -1.87 121.76 122.93 2q63 s ALA 55 Ca 0.11 -0.03 0.02 0.00 0.00 0.00 0.00 51.96 52.07 2q63 s ALA 55 Cb -0.07 -2.74 -0.05 0.00 0.00 0.00 0.00 23.12 20.25 2q63 s ALA 55 CO 0.05 0.08 0.06 0.14 0.00 0.00 0.00 175.76 176.09 2q63 s VAL 56 N 0.20 0.76 -0.17 0.00 -7.23 0.87 -4.44 120.40 110.38 2q63 s VAL 56 Ca 0.30 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.43 2q63 s VAL 56 Cb -0.17 -2.53 -0.02 0.00 0.56 0.00 0.00 36.38 34.22 2q63 s VAL 56 CO 0.15 -0.13 -0.04 -0.13 -0.31 0.00 0.00 175.10 174.64 2q63 s ARG 57 N -3.96 3.60 -0.33 4.82 0.52 -0.05 -1.43 118.95 122.12 2q63 s ARG 57 Ca 0.34 -0.55 -0.18 0.00 -0.52 0.00 0.00 55.73 54.83 2q63 s ARG 57 Cb 0.07 -2.94 -0.01 0.00 0.52 0.00 0.00 34.95 32.59 2q63 s ARG 57 CO 0.12 0.14 0.49 -1.14 0.02 0.00 0.00 175.30 174.92 2q63 s GLN 58 N 0.63 3.70 -0.16 3.54 0.74 0.72 -1.08 119.66 127.75 2q63 s GLN 58 Ca -0.02 -0.11 -0.04 0.00 0.05 0.00 0.00 55.36 55.24 2q63 s GLN 58 Cb -0.14 -3.78 -0.03 0.00 1.10 0.00 0.00 33.01 30.16 2q63 s GLN 58 CO 0.02 -0.57 -0.03 0.71 -0.55 0.00 0.00 175.29 174.88 2q63 s TYR 59 N 2.32 3.03 0.29 1.67 2.02 -0.70 -2.07 117.35 123.92 2q63 s TYR 59 Ca 0.18 -0.31 0.07 0.00 -0.37 0.00 0.00 57.07 56.63 2q63 s TYR 59 Cb -0.16 -1.98 -0.03 0.00 -0.40 0.00 0.00 41.96 39.40 2q63 s TYR 59 CO 0.12 -0.06 0.32 -0.51 -1.57 0.00 0.00 175.55 173.85 2q63 s ASP 60 N 0.46 5.76 -1.34 2.29 1.01 -1.26 -0.56 116.67 123.03 2q63 s ASP 60 Ca -0.03 -0.22 -0.08 0.00 0.71 0.00 0.00 52.55 52.93 2q63 s ASP 60 Cb -0.14 -1.37 0.00 0.00 1.01 0.00 0.00 42.92 42.42 2q63 s ASP 60 CO 0.03 -0.22 0.48 1.67 0.21 0.00 0.00 175.17 177.34 2q63 n GLN 61 N -1.39 -2.23 -4.11 8.23 -0.06 -1.17 -4.89 117.38 111.75 2q63 n GLN 61 Ca -0.05 0.34 -0.35 0.00 -2.00 0.00 0.00 57.00 54.95 2q63 n GLN 61 Cb 0.58 -4.11 -0.10 0.00 -4.06 0.00 0.00 30.24 22.55 2q63 n GLN 61 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 2q63 s ILE 62 N -3.86 4.66 0.02 1.69 -1.09 -0.42 -4.78 121.20 117.42 2q63 s ILE 62 Ca 0.16 -0.09 -0.28 0.00 -2.23 0.00 0.00 60.65 58.21 2q63 s ILE 62 Cb -0.07 -3.06 -0.04 0.00 -1.58 0.00 0.00 42.46 37.71 2q63 s ILE 62 CO 0.90 0.50 0.91 -0.22 -1.23 0.00 0.00 174.94 175.81 2q63 s LEU 63 N 0.02 4.41 -0.00 2.97 2.96 -1.26 -1.87 118.68 125.90 2q63 s LEU 63 Ca 0.05 1.60 0.02 0.00 -0.22 0.00 0.00 54.13 55.58 2q63 s LEU 63 Cb -0.12 -3.46 -0.01 0.00 0.50 0.00 0.00 46.19 43.10 2q63 s LEU 63 CO 0.01 -0.15 -0.07 -0.51 -1.32 0.00 0.00 176.35 174.31 2q63 s ILE 64 N 0.58 0.53 -0.28 6.68 2.07 0.49 -4.42 121.20 126.85 2q63 s ILE 64 Ca 0.47 -0.31 -0.03 0.00 -1.41 0.00 0.00 60.65 59.37 2q63 s ILE 64 Cb -0.21 -0.45 0.03 0.00 0.13 0.00 0.00 42.46 41.96 2q63 s ILE 64 CO 0.26 0.13 -0.00 -0.70 -1.91 0.00 0.00 174.94 172.72 2q63 s GLU 65 N -0.21 2.70 -0.25 3.50 2.12 0.45 -0.67 118.70 126.35 2q63 s GLU 65 Ca 0.02 -1.09 -0.04 0.00 0.36 0.00 0.00 54.97 54.23 2q63 s GLU 65 Cb -0.03 -3.16 0.01 0.00 0.26 0.00 0.00 34.13 31.21 2q63 s GLU 65 CO -0.00 -0.51 -0.02 0.42 -0.54 0.00 0.00 175.26 174.60 2q63 s ILE 66 N 1.33 3.31 -1.67 -3.70 1.01 0.35 -0.36 121.20 121.46 2q63 s ILE 66 Ca -0.02 -0.72 -0.12 0.00 0.00 0.00 0.00 60.65 59.79 2q63 s ILE 66 Cb -0.18 -2.61 0.11 0.00 0.01 0.00 0.00 42.46 39.79 2q63 s ILE 66 CO -0.02 0.28 0.44 0.00 0.00 0.00 0.00 174.94 175.64 2q63 n GLY 68 N -1.73 0.63 3.42 0.00 0.00 -1.26 -5.02 105.19 101.24 2q63 n GLY 68 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 2q63 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2q63 s HIS 69 N -2.58 2.97 0.24 1.61 4.02 0.19 -5.10 115.29 116.64 2q63 s HIS 69 Ca 0.00 -0.53 -0.26 0.00 1.02 0.00 0.00 55.06 55.29 2q63 s HIS 69 Cb 0.00 -1.99 -0.09 0.00 -1.02 0.00 0.00 32.58 29.48 2q63 s HIS 69 CO 0.00 -0.22 0.86 0.15 1.02 0.00 0.00 174.74 176.55 2q63 s LYS 70 N 0.73 4.60 -0.02 1.40 1.02 -1.26 -0.50 119.74 125.71 2q63 s LYS 70 Ca -0.02 1.25 -0.08 0.00 0.02 0.00 0.00 55.97 57.13 2q63 s LYS 70 Cb -0.15 -3.06 0.01 0.00 -0.52 0.00 0.00 37.83 34.11 2q63 s LYS 70 CO 0.02 0.44 0.18 0.00 -0.92 0.00 0.00 175.35 175.06 2q63 s ALA 71 N -1.37 -0.43 -0.06 5.17 0.00 0.15 -4.85 121.76 120.37 2q63 s ALA 71 Ca 0.43 0.10 0.06 0.00 0.00 0.00 0.00 51.96 52.55 2q63 s ALA 71 Cb -0.21 -0.01 -0.01 0.00 0.00 0.00 0.00 23.12 22.89 2q63 s ALA 71 CO 0.26 -0.19 -0.25 0.42 0.00 0.00 0.00 175.76 176.01 2q63 s ILE 72 N -1.00 2.09 -0.01 0.00 1.01 -1.26 -0.38 121.20 121.65 2q63 s ILE 72 Ca -0.11 -1.05 -0.07 0.00 0.00 0.00 0.00 60.65 59.41 2q63 s ILE 72 Cb -0.06 -1.75 0.02 0.00 0.01 0.00 0.00 42.46 40.68 2q63 s ILE 72 CO 0.02 0.57 0.33 0.61 0.00 0.00 0.00 174.94 176.47 2q63 n GLY 73 N 2.96 0.50 3.69 6.18 0.00 -0.78 -4.85 105.19 112.89 2q63 n GLY 73 Ca -0.17 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.54 2q63 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2q63 s THR 74 N -2.10 4.62 -0.13 2.61 2.01 -1.26 -1.31 115.64 120.07 2q63 s THR 74 Ca 0.08 1.90 0.03 0.00 0.31 0.00 0.00 61.69 64.00 2q63 s THR 74 Cb -0.00 -4.22 0.01 0.00 0.01 0.00 0.00 72.50 68.29 2q63 s THR 74 CO -0.00 0.01 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.02 2q63 s VAL 75 N 2.05 2.10 -0.07 3.82 1.01 0.28 -4.43 120.40 125.15 2q63 s VAL 75 Ca 0.51 -0.97 -0.14 0.00 0.00 0.00 0.00 61.98 61.38 2q63 s VAL 75 Cb -0.20 -1.83 -0.05 0.00 0.00 0.00 0.00 36.38 34.29 2q63 s VAL 75 CO 0.19 0.55 0.35 -0.76 0.00 0.00 0.00 175.10 175.43 2q63 s LEU 76 N 0.74 4.38 -0.14 3.92 1.43 0.11 -1.72 118.68 127.40 2q63 s LEU 76 Ca -0.09 0.76 0.02 0.00 -1.03 0.00 0.00 54.13 53.79 2q63 s LEU 76 Cb -0.16 -2.47 0.01 0.00 0.03 0.00 0.00 46.19 43.60 2q63 s LEU 76 CO -0.00 0.24 -0.21 -0.69 0.23 0.00 0.00 176.35 175.92 2q63 s VAL 77 N -0.46 1.96 -0.86 -1.59 1.01 -0.24 -0.26 120.40 119.96 2q63 s VAL 77 Ca 0.21 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.27 2q63 s VAL 77 Cb -0.15 -1.74 0.00 0.00 0.00 0.00 0.00 36.38 34.49 2q63 s VAL 77 CO 0.09 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.33 2q63 n GLY 78 N 4.12 -1.13 2.35 4.51 0.00 -0.30 -0.87 105.19 113.87 2q63 n GLY 78 Ca -0.20 -0.84 -0.39 0.00 0.00 0.00 0.00 46.02 44.59 2q63 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2q63 n PRO 79 N 0.00 3.75 -3.17 1.61 -0.04 -1.26 -3.61 135.00 132.28 2q63 n PRO 79 Ca 0.00 -2.36 -0.39 0.00 -0.04 0.00 0.00 63.50 60.72 2q63 n PRO 79 Cb 0.00 -2.81 -0.06 0.00 -0.04 0.00 0.00 33.50 30.59 2q63 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2q63 s THR 80 N 1.88 4.61 -0.89 0.52 -1.32 -1.26 -4.99 115.64 114.20 2q63 s THR 80 Ca 0.67 1.38 0.25 0.00 -1.21 0.00 0.00 61.69 62.78 2q63 s THR 80 Cb 0.18 -3.98 0.23 0.00 -1.51 0.00 0.00 72.50 67.42 2q63 s THR 80 CO -0.06 0.53 1.80 -0.81 -2.21 0.00 0.00 174.62 173.86 2q63 n PRO 81 N 1.64 0.08 -3.97 7.08 -0.04 -1.26 -4.47 135.00 134.06 2q63 n PRO 81 Ca -0.09 0.13 -0.14 0.00 -0.04 0.00 0.00 63.50 63.37 2q63 n PRO 81 Cb 0.50 -1.61 -0.14 0.00 -0.04 0.00 0.00 33.50 32.21 2q63 n PRO 81 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2q63 s VAL 82 N -3.05 0.15 0.12 0.52 1.01 -1.26 -5.06 120.40 112.83 2q63 s VAL 82 Ca 0.11 -0.07 -0.31 0.00 0.00 0.00 0.00 61.98 61.71 2q63 s VAL 82 Cb 0.15 -0.14 -0.08 0.00 0.00 0.00 0.00 36.38 36.31 2q63 s VAL 82 CO 0.49 0.05 1.36 0.20 0.00 0.00 0.00 175.10 177.20 2q63 s ASN 83 N 0.03 6.86 -0.18 3.32 0.01 -1.26 -4.70 114.94 119.02 2q63 s ASN 83 Ca 0.00 2.31 0.01 0.00 -0.71 0.00 0.00 52.86 54.47 2q63 s ASN 83 Cb -0.02 -2.59 0.02 0.00 0.41 0.00 0.00 41.25 39.08 2q63 s ASN 83 CO -0.00 -0.61 -0.18 -0.63 -1.51 0.00 0.00 177.10 174.17 2q63 s ILE 84 N 0.93 1.92 -0.36 0.60 -1.09 0.56 -0.50 121.20 123.26 2q63 s ILE 84 Ca 0.63 -0.90 -0.17 0.00 -2.23 0.00 0.00 60.65 57.98 2q63 s ILE 84 Cb -0.36 -1.78 -0.00 0.00 -1.58 0.00 0.00 42.46 38.74 2q63 s ILE 84 CO 0.31 0.47 0.44 -0.63 -1.23 0.00 0.00 174.94 174.31 2q63 s ILE 85 N 1.34 5.08 0.15 2.92 -1.09 0.27 -0.56 121.20 129.32 2q63 s ILE 85 Ca 0.04 0.09 0.01 0.00 -2.23 0.00 0.00 60.65 58.56 2q63 s ILE 85 Cb -0.13 -3.93 0.03 0.00 -1.58 0.00 0.00 42.46 36.85 2q63 s ILE 85 CO -0.12 -0.21 0.21 0.61 -1.23 0.00 0.00 174.94 174.20 2q63 n GLY 86 N 4.92 1.10 0.23 6.18 0.00 -1.18 -1.17 105.19 115.26 2q63 n GLY 86 Ca -0.07 -2.03 0.01 0.00 0.00 0.00 0.00 46.02 43.94 2q63 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2q63 h ARG 87 N 0.00 0.24 -0.83 1.61 3.08 -1.12 -1.90 114.38 115.46 2q63 h ARG 87 Ca -0.07 -0.07 0.07 0.00 0.07 0.00 0.00 59.98 59.98 2q63 h ARG 87 Cb 0.27 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.24 2q63 h ARG 87 CO 0.08 0.45 0.54 -2.95 -1.07 0.00 0.00 179.97 177.02 2q63 h ASN 88 N 0.22 0.77 0.32 7.04 -1.07 -1.81 -1.35 115.58 119.70 2q63 h ASN 88 Ca 0.04 0.01 -0.33 0.00 0.07 0.00 0.00 56.30 56.09 2q63 h ASN 88 Cb 0.51 -0.16 -0.03 0.00 -2.07 0.00 0.00 38.32 36.57 2q63 h ASN 88 CO 0.03 0.49 -1.81 -0.07 0.07 0.00 0.00 177.43 176.14 2q63 h LEU 89 N 0.87 0.25 -1.27 6.14 3.38 -1.84 -3.38 115.31 119.47 2q63 h LEU 89 Ca 0.36 -0.53 0.02 0.00 0.09 0.00 0.00 57.88 57.83 2q63 h LEU 89 Cb 0.29 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 2q63 h LEU 89 CO -0.14 1.47 0.50 0.24 0.09 0.00 0.00 178.44 180.61 2q63 h MET 90 N 0.04 0.95 -0.37 1.13 2.86 -0.98 -1.43 114.93 117.13 2q63 h MET 90 Ca -0.34 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.22 2q63 h MET 90 Cb 2.02 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 33.45 2q63 h MET 90 CO 0.10 0.63 0.13 1.79 1.06 0.00 0.00 176.91 180.61 2q63 h THR 91 N 0.98 1.16 0.00 2.22 1.35 -1.44 -2.10 112.91 115.07 2q63 h THR 91 Ca 0.29 -0.51 -0.02 0.00 -0.55 0.00 0.00 66.41 65.63 2q63 h THR 91 Cb -0.03 0.74 -0.00 0.00 -1.73 0.00 0.00 68.15 67.13 2q63 h THR 91 CO -0.08 0.19 -0.08 1.56 -0.25 0.00 0.00 175.52 176.86 2q63 h GLN 92 N 0.53 0.00 -0.51 4.72 7.50 -1.43 -2.78 115.11 123.14 2q63 h GLN 92 Ca 0.13 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.28 2q63 h GLN 92 Cb 0.15 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.68 2q63 h GLN 92 CO -0.01 0.08 0.00 0.44 -1.50 0.00 0.00 178.83 177.84 2q63 n ILE 93 N -3.27 1.35 -2.56 2.54 -5.35 -1.04 -4.93 119.36 106.10 2q63 n ILE 93 Ca -0.00 -1.15 -0.11 0.00 -0.27 0.00 0.00 62.75 61.22 2q63 n ILE 93 Cb 0.30 0.33 0.01 0.00 -1.74 0.00 0.00 39.64 38.54 2q63 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2q63 n GLY 94 N 0.85 0.03 3.65 3.28 0.00 -1.05 -4.98 105.19 106.97 2q63 n GLY 94 Ca 0.20 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 2q63 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2q63 s THR 96 N 2.42 2.79 -0.03 0.00 -4.23 -1.26 -4.70 115.64 110.63 2q63 s THR 96 Ca 0.33 -1.92 -0.14 0.00 -1.18 0.00 0.00 61.69 58.78 2q63 s THR 96 Cb -0.16 -2.38 -0.05 0.00 1.34 0.00 0.00 72.50 71.25 2q63 s THR 96 CO 0.09 -0.17 0.37 -0.76 -0.54 0.00 0.00 174.62 173.62 2q63 s LEU 97 N -2.91 4.44 0.01 4.79 1.43 -1.26 -5.08 118.68 120.10 2q63 s LEU 97 Ca 0.24 0.87 0.00 0.00 -1.03 0.00 0.00 54.13 54.22 2q63 s LEU 97 Cb -0.08 -2.52 -0.01 0.00 0.03 0.00 0.00 46.19 43.61 2q63 s LEU 97 CO 0.13 0.30 -0.02 0.20 0.23 0.00 0.00 176.35 177.20 2q63 s ASN 98 N -0.89 0.17 0.00 2.29 -0.87 -1.26 -5.29 114.94 109.09 2q63 s ASN 98 Ca 0.22 -0.24 0.00 0.00 -1.57 0.00 0.00 52.86 51.28 2q63 s ASN 98 Cb -0.16 0.04 0.00 0.00 -0.02 0.00 0.00 41.25 41.11 2q63 s ASN 98 CO 0.12 -0.13 0.00 2.22 -2.57 0.00 0.00 177.10 176.73