#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qal s GLN 4 N 0.00 3.70 0.23 1.20 0.74 -1.26 -4.48 119.66 119.78 2qal s GLN 4 Ca 0.00 0.09 0.07 0.00 0.05 0.00 0.00 55.36 55.57 2qal s GLN 4 Cb 0.00 -3.03 -0.05 0.00 1.10 0.00 0.00 33.01 31.03 2qal s GLN 4 CO 0.00 0.59 -0.11 0.71 -0.55 0.00 0.00 175.29 175.93 2qal s TYR 5 N -1.36 1.78 0.02 1.67 1.51 0.26 -4.97 117.35 116.25 2qal s TYR 5 Ca 0.31 -0.63 0.03 0.00 -1.01 0.00 0.00 57.07 55.77 2qal s TYR 5 Cb -0.14 -0.90 -0.01 0.00 -0.11 0.00 0.00 41.96 40.80 2qal s TYR 5 CO 0.18 0.31 -0.10 -0.47 -1.11 0.00 0.00 175.55 174.36 2qal s TYR 6 N -3.01 0.86 -0.05 2.71 6.14 -1.26 -0.02 117.35 122.72 2qal s TYR 6 Ca 0.25 -0.27 -0.01 0.00 0.64 0.00 0.00 57.07 57.68 2qal s TYR 6 Cb 0.01 -0.53 0.03 0.00 0.42 0.00 0.00 41.96 41.89 2qal s TYR 6 CO 0.08 -0.01 0.01 0.20 0.64 0.00 0.00 175.55 176.47 2qal s GLY 7 N -0.73 0.36 0.00 8.97 0.00 0.12 -4.21 107.32 111.83 2qal s GLY 7 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 44.72 44.74 2qal s GLY 7 CO 0.00 0.96 0.00 -1.30 0.00 0.00 0.00 173.10 172.76 2qal n THR 8 N 4.78 0.00 -0.21 0.90 -2.24 -1.26 0.08 114.28 116.33 2qal n THR 8 Ca -0.14 0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 2qal n THR 8 Cb 0.50 -0.84 0.00 0.00 -2.10 0.00 0.00 70.33 67.89 2qal n THR 8 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qal n GLY 9 N 0.87 -3.17 3.60 3.38 0.00 -1.26 -3.47 105.19 105.14 2qal n GLY 9 Ca 0.00 -0.91 -0.10 0.00 0.00 0.00 0.00 46.02 45.01 2qal n GLY 9 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2qal s ARG 10 N -3.58 0.56 -0.24 1.61 1.70 -1.25 -1.44 118.95 116.30 2qal s ARG 10 Ca 0.00 0.28 -0.26 0.00 -0.47 0.00 0.00 55.73 55.29 2qal s ARG 10 Cb 0.00 0.27 0.07 0.00 -0.57 0.00 0.00 34.95 34.72 2qal s ARG 10 CO 0.00 -0.14 0.74 -0.98 -1.08 0.00 0.00 175.30 173.83 2qal s ARG 11 N -0.67 0.84 -1.20 3.89 1.70 -0.97 -4.78 118.95 117.76 2qal s ARG 11 Ca -0.00 0.89 -0.02 0.00 -0.47 0.00 0.00 55.73 56.12 2qal s ARG 11 Cb -0.02 0.41 -0.01 0.00 -0.57 0.00 0.00 34.95 34.76 2qal s ARG 11 CO -0.01 -0.12 0.88 1.63 -1.08 0.00 0.00 175.30 176.59 2qal n LYS 12 N 2.44 -4.94 -2.44 3.89 5.02 -1.26 -1.79 118.16 119.08 2qal n LYS 12 Ca -0.14 0.76 -0.17 0.00 -2.02 0.00 0.00 58.31 56.74 2qal n LYS 12 Cb 0.55 -5.54 -0.01 0.00 -0.02 0.00 0.00 35.03 30.02 2qal n LYS 12 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2qal n SER 13 N -3.10 -4.93 -4.12 4.39 3.41 -1.26 -4.60 113.62 103.41 2qal n SER 13 Ca -0.24 0.08 -0.35 0.00 -0.26 0.00 0.00 58.87 58.09 2qal n SER 13 Cb 0.66 -4.14 -0.12 0.00 -0.26 0.00 0.00 64.21 60.35 2qal n SER 13 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2qal s SER 14 N -2.06 5.15 -0.07 4.04 0.15 -0.74 -2.61 113.70 117.57 2qal s SER 14 Ca 0.01 -1.91 -0.25 0.00 0.70 0.00 0.00 55.95 54.51 2qal s SER 14 Cb -0.00 -1.79 -0.03 0.00 -1.71 0.00 0.00 66.02 62.48 2qal s SER 14 CO 0.01 -0.48 0.75 0.00 1.20 0.00 0.00 173.24 174.73 2qal s ALA 15 N 1.14 3.33 0.10 5.45 0.00 -0.30 -2.29 121.76 129.19 2qal s ALA 15 Ca 0.06 0.18 0.06 0.00 0.00 0.00 0.00 51.96 52.26 2qal s ALA 15 Cb -0.22 -3.04 -0.03 0.00 0.00 0.00 0.00 23.12 19.83 2qal s ALA 15 CO -0.04 -0.18 -0.14 0.00 0.00 0.00 0.00 175.76 175.40 2qal s ALA 16 N 0.97 1.37 -0.12 0.00 0.00 -0.52 0.29 121.76 123.76 2qal s ALA 16 Ca 0.40 -1.18 -0.01 0.00 0.00 0.00 0.00 51.96 51.16 2qal s ALA 16 Cb -0.18 -0.08 0.04 0.00 0.00 0.00 0.00 23.12 22.89 2qal s ALA 16 CO 0.19 0.13 -0.01 1.03 0.00 0.00 0.00 175.76 177.09 2qal s ARG 17 N -2.32 0.90 0.09 0.00 0.52 0.10 -4.06 118.95 114.18 2qal s ARG 17 Ca 0.05 -0.15 0.06 0.00 -0.52 0.00 0.00 55.73 55.16 2qal s ARG 17 Cb -0.07 -1.46 -0.04 0.00 0.52 0.00 0.00 34.95 33.90 2qal s ARG 17 CO 0.03 -0.38 -0.06 0.08 0.02 0.00 0.00 175.30 174.99 2qal s VAL 18 N 1.85 3.66 -0.46 3.52 1.01 0.11 0.85 120.40 130.95 2qal s VAL 18 Ca 0.03 -1.11 0.02 0.00 0.00 0.00 0.00 61.98 60.93 2qal s VAL 18 Cb -0.14 -2.72 0.14 0.00 0.00 0.00 0.00 36.38 33.67 2qal s VAL 18 CO -0.07 0.14 0.28 -0.36 0.00 0.00 0.00 175.10 175.09 2qal s PHE 19 N -1.24 1.95 -0.06 5.22 0.08 -0.69 0.11 117.98 123.35 2qal s PHE 19 Ca 0.23 -2.45 -0.29 0.00 0.12 0.00 0.00 56.93 54.53 2qal s PHE 19 Cb -0.11 -1.79 -0.07 0.00 -0.57 0.00 0.00 43.02 40.48 2qal s PHE 19 CO 0.15 -0.77 1.93 0.42 -0.10 0.00 0.00 175.22 176.86 2qal s ILE 20 N 0.18 3.18 -0.02 0.64 1.09 0.97 -1.83 121.20 125.42 2qal s ILE 20 Ca 0.20 0.21 0.00 0.00 -1.10 0.00 0.00 60.65 59.97 2qal s ILE 20 Cb -0.19 -3.16 0.02 0.00 -1.06 0.00 0.00 42.46 38.07 2qal s ILE 20 CO -0.04 -0.05 -0.00 -0.75 -0.10 0.00 0.00 174.94 174.00 2qal s LYS 21 N 4.83 0.19 0.25 2.79 2.20 -0.72 0.91 119.74 130.18 2qal s LYS 21 Ca 0.87 0.03 -0.30 0.00 -0.36 0.00 0.00 55.97 56.21 2qal s LYS 21 Cb -0.37 -0.31 -0.10 0.00 -1.51 0.00 0.00 37.83 35.54 2qal s LYS 21 CO 0.37 -0.07 1.37 -1.25 -0.36 0.00 0.00 175.35 175.41 2qal s PRO 22 N 0.59 4.33 0.00 4.03 0.04 -1.26 0.69 135.00 143.43 2qal s PRO 22 Ca -0.06 2.20 0.00 0.00 0.04 0.00 0.00 61.00 63.18 2qal s PRO 22 Cb -0.08 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.33 2qal s PRO 22 CO -0.01 -0.31 0.00 0.41 0.04 0.00 0.00 177.00 177.13 2qal n GLY 23 N 1.97 2.93 3.96 0.56 0.00 -1.23 -4.60 105.19 108.78 2qal n GLY 23 Ca 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2qal n GLY 23 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2qal n ASN 24 N 0.00 0.00 -2.29 1.61 6.94 -1.26 -1.37 115.26 118.90 2qal n ASN 24 Ca 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 54.58 54.53 2qal n ASN 24 Cb 0.00 0.00 0.03 0.00 -2.36 0.00 0.00 39.78 37.45 2qal n ASN 24 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2qal n GLY 25 N 0.00 -0.06 3.78 4.83 0.00 -0.73 0.15 105.19 113.16 2qal n GLY 25 Ca 0.00 -0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 2qal n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qal s LYS 26 N 0.06 2.78 -0.28 1.61 1.02 -1.25 -4.51 119.74 119.17 2qal s LYS 26 Ca 0.06 1.28 -0.01 0.00 0.02 0.00 0.00 55.97 57.32 2qal s LYS 26 Cb 0.15 -1.96 0.13 0.00 -0.52 0.00 0.00 37.83 35.64 2qal s LYS 26 CO -0.04 -1.25 0.31 0.42 -0.92 0.00 0.00 175.35 173.87 2qal s ILE 27 N -2.54 -0.44 -0.29 2.17 1.01 -1.26 -2.90 121.20 116.94 2qal s ILE 27 Ca 0.64 -0.39 0.02 0.00 0.00 0.00 0.00 60.65 60.92 2qal s ILE 27 Cb -0.18 -0.94 0.07 0.00 0.01 0.00 0.00 42.46 41.41 2qal s ILE 27 CO 0.45 -0.39 -0.04 -0.69 0.00 0.00 0.00 174.94 174.27 2qal s VAL 28 N 2.40 2.43 -0.10 2.92 1.01 -1.24 -1.76 120.40 126.07 2qal s VAL 28 Ca 0.09 -1.75 -0.13 0.00 0.00 0.00 0.00 61.98 60.19 2qal s VAL 28 Cb -0.14 -2.51 -0.05 0.00 0.00 0.00 0.00 36.38 33.68 2qal s VAL 28 CO -0.29 -0.20 0.31 -0.63 0.00 0.00 0.00 175.10 174.29 2qal s ILE 29 N 1.09 5.25 -1.51 2.22 1.01 0.25 -1.22 121.20 128.29 2qal s ILE 29 Ca -0.03 0.59 -0.01 0.00 0.00 0.00 0.00 60.65 61.20 2qal s ILE 29 Cb -0.20 -3.62 0.01 0.00 0.01 0.00 0.00 42.46 38.67 2qal s ILE 29 CO -0.05 0.50 0.22 0.59 0.00 0.00 0.00 174.94 176.20 2qal n ASN 30 N 2.65 0.19 -1.72 3.58 5.03 0.11 0.85 115.26 125.95 2qal n ASN 30 Ca -0.14 -1.15 -0.20 0.00 0.87 0.00 0.00 54.58 53.95 2qal n ASN 30 Cb 0.53 -2.25 -0.07 0.00 -1.02 0.00 0.00 39.78 36.97 2qal n ASN 30 CO 0.00 0.00 0.00 1.67 -1.83 0.00 0.00 177.26 177.10 2qal n GLN 31 N -4.49 -1.46 -4.25 3.52 7.27 -1.26 -4.96 117.38 111.76 2qal n GLN 31 Ca -0.29 1.17 -0.14 0.00 0.07 0.00 0.00 57.00 57.81 2qal n GLN 31 Cb 0.68 -5.60 -0.10 0.00 2.41 0.00 0.00 30.24 27.63 2qal n GLN 31 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 2qal s ARG 32 N -3.99 1.15 0.54 3.69 0.52 0.25 -5.12 118.95 115.98 2qal s ARG 32 Ca 0.00 -1.57 -0.20 0.00 -0.52 0.00 0.00 55.73 53.44 2qal s ARG 32 Cb 0.00 -0.21 -0.05 0.00 0.52 0.00 0.00 34.95 35.21 2qal s ARG 32 CO 0.00 -0.18 1.17 0.45 0.02 0.00 0.00 175.30 176.76 2qal s SER 33 N -3.19 5.64 0.28 0.23 0.15 -1.26 0.84 113.70 116.38 2qal s SER 33 Ca 0.27 2.29 0.01 0.00 0.70 0.00 0.00 55.95 59.22 2qal s SER 33 Cb 0.07 -2.59 0.56 0.00 -1.71 0.00 0.00 66.02 62.34 2qal s SER 33 CO 0.06 -1.28 1.80 0.25 1.20 0.00 0.00 173.24 175.27 2qal h LEU 34 N 1.30 0.78 0.00 3.45 5.85 -1.68 -0.04 115.31 124.97 2qal h LEU 34 Ca -0.50 0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.23 2qal h LEU 34 Cb 1.27 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 2qal h LEU 34 CO 0.57 0.38 -0.38 -0.33 -0.34 0.00 0.00 178.44 178.34 2qal h GLU 35 N 0.84 0.00 -0.03 1.25 3.07 -1.89 -0.70 114.58 117.12 2qal h GLU 35 Ca 0.49 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.35 2qal h GLU 35 Cb 0.58 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.49 2qal h GLU 35 CO -0.30 0.24 0.00 1.04 -1.40 0.00 0.00 179.01 178.58 2qal n GLN 36 N -3.11 0.85 0.00 2.33 3.00 -0.05 0.99 117.38 121.39 2qal n GLN 36 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 2qal n GLN 36 Cb 0.64 -1.02 0.00 0.00 0.00 0.00 0.00 30.24 29.86 2qal n GLN 36 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.06 178.04 2qal n TYR 37 N -0.48 0.00 -0.19 1.08 9.36 -1.11 -4.80 117.16 121.03 2qal n TYR 37 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 2qal n TYR 37 Cb 0.01 0.25 0.00 0.00 -0.63 0.00 0.00 39.34 38.97 2qal n TYR 37 CO 0.00 0.00 0.00 1.19 0.22 0.00 0.00 176.86 178.27 2qal n PHE 38 N -2.32 0.00 -1.64 2.98 0.99 -0.28 -5.04 117.46 112.15 2qal n PHE 38 Ca 0.00 -0.36 -0.46 0.00 -0.00 0.00 0.00 57.45 56.63 2qal n PHE 38 Cb 0.12 -0.04 -0.03 0.00 -1.00 0.00 0.00 39.48 38.54 2qal n PHE 38 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2qal n GLY 39 N -0.36 0.48 2.41 1.37 0.00 0.28 -1.66 105.19 107.71 2qal n GLY 39 Ca 0.00 0.47 -0.18 0.00 0.00 0.00 0.00 46.02 46.32 2qal n GLY 39 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2qal n ARG 40 N 1.71 -1.87 -4.15 1.61 0.63 -1.26 -4.96 116.66 108.36 2qal n ARG 40 Ca 0.12 0.87 -0.17 0.00 -0.92 0.00 0.00 57.85 57.74 2qal n ARG 40 Cb 0.30 -5.50 -0.12 0.00 0.45 0.00 0.00 32.46 27.59 2qal n ARG 40 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 2qal s GLU 41 N -4.99 0.77 0.00 -0.14 2.02 -0.66 -5.00 118.70 110.70 2qal s GLU 41 Ca 0.00 -0.94 0.00 0.00 0.02 0.00 0.00 54.97 54.05 2qal s GLU 41 Cb 0.00 -0.72 0.00 0.00 0.10 0.00 0.00 34.13 33.51 2qal s GLU 41 CO 0.00 0.16 0.16 -2.37 0.02 0.00 0.00 175.26 173.22 2qal n THR 42 N 1.26 0.00 -0.11 3.63 5.66 -1.26 -2.87 114.28 120.59 2qal n THR 42 Ca -0.21 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.54 2qal n THR 42 Cb 0.54 -0.33 -0.11 0.00 -1.55 0.00 0.00 70.33 68.88 2qal n THR 42 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2qal n ALA 43 N -0.28 1.00 0.20 1.79 0.00 -1.26 -4.34 120.51 117.62 2qal n ALA 43 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.67 2qal n ALA 43 Cb 0.01 -0.29 0.00 0.00 0.00 0.00 0.00 19.45 19.17 2qal n ALA 43 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2qal n ARG 44 N -4.17 0.11 -0.11 0.00 1.85 -1.14 -2.34 116.66 110.86 2qal n ARG 44 Ca -0.41 0.00 -0.25 0.00 -1.00 0.00 0.00 57.85 56.18 2qal n ARG 44 Cb 0.82 -1.01 -0.11 0.00 -1.05 0.00 0.00 32.46 31.11 2qal n ARG 44 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2qal n MET 45 N -0.36 0.60 -0.28 2.89 0.00 -1.26 -4.19 117.12 114.53 2qal n MET 45 Ca 0.00 0.35 0.04 0.00 0.00 0.00 0.00 57.70 58.09 2qal n MET 45 Cb 0.00 -1.60 0.26 0.00 0.00 0.00 0.00 33.22 31.89 2qal n MET 45 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 175.97 175.58 2qal h VAL 46 N -0.78 1.06 -0.98 3.17 -1.51 -1.72 -0.37 116.25 115.12 2qal h VAL 46 Ca -0.55 -0.33 0.08 0.00 -1.23 0.00 0.00 66.70 64.66 2qal h VAL 46 Cb 1.59 0.00 -0.07 0.00 -2.13 0.00 0.00 31.29 30.69 2qal h VAL 46 CO -0.27 0.18 0.63 -0.37 -1.23 0.00 0.00 177.57 176.51 2qal h VAL 47 N 0.97 1.04 0.00 7.19 -1.51 -1.77 -0.82 116.25 121.36 2qal h VAL 47 Ca 0.37 -0.38 0.00 0.00 -1.23 0.00 0.00 66.70 65.46 2qal h VAL 47 Cb 0.20 -0.15 0.00 0.00 -2.13 0.00 0.00 31.29 29.21 2qal h VAL 47 CO -0.13 0.20 -0.35 0.03 -1.23 0.00 0.00 177.57 176.08 2qal h ARG 48 N 1.10 0.00 -0.72 5.19 3.08 -1.38 -3.38 114.38 118.26 2qal h ARG 48 Ca 0.44 0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.60 2qal h ARG 48 Cb 0.25 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 30.18 2qal h ARG 48 CO -0.19 0.00 -0.40 1.96 -1.07 0.00 0.00 179.97 180.28 2qal h GLN 49 N 0.00 -0.12 0.00 0.04 4.20 0.41 2.04 115.11 121.67 2qal h GLN 49 Ca 0.00 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 2qal h GLN 49 Cb 0.78 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.58 2qal h GLN 49 CO 0.00 -0.08 -0.09 -1.00 -0.67 0.00 0.00 178.83 176.99 2qal h PRO 50 N -0.13 0.00 0.00 1.46 0.13 -1.74 -1.54 132.00 130.19 2qal h PRO 50 Ca 0.24 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.37 2qal h PRO 50 Cb 0.56 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.69 2qal h PRO 50 CO -0.78 0.09 -0.06 -0.07 -0.23 0.00 0.00 178.00 176.94 2qal h LEU 51 N 0.00 0.00 -1.80 1.56 3.38 0.22 -3.24 115.31 115.43 2qal h LEU 51 Ca -0.00 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.43 2qal h LEU 51 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2qal h LEU 51 CO 0.01 0.81 0.11 -0.33 0.09 0.00 0.00 178.44 179.13 2qal h GLU 52 N -1.00 0.00 0.00 1.13 4.39 0.30 0.24 114.58 119.65 2qal h GLU 52 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2qal h GLU 52 Cb 0.59 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 2qal h GLU 52 CO -0.01 0.00 -0.69 1.25 -1.16 0.00 0.00 179.01 178.41 2qal h LEU 53 N 0.00 0.00 -5.24 1.33 7.12 -1.34 -3.38 115.31 113.79 2qal h LEU 53 Ca 0.00 -0.02 -0.26 0.00 0.13 0.00 0.00 57.88 57.73 2qal h LEU 53 Cb 0.22 0.00 -0.35 0.00 -0.53 0.00 0.00 40.66 40.00 2qal h LEU 53 CO 0.00 0.01 -0.98 1.33 -0.13 0.00 0.00 178.44 178.68 2qal n VAL 54 N -2.71 0.95 -1.10 1.05 0.24 0.65 -5.10 118.33 112.31 2qal n VAL 54 Ca 0.01 -2.60 0.00 0.00 -2.04 0.00 0.00 64.34 59.71 2qal n VAL 54 Cb 0.53 1.09 0.00 0.00 -1.47 0.00 0.00 33.84 33.99 2qal n VAL 54 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2qal n ASP 55 N -0.59 -6.29 -0.98 -1.34 8.00 -0.03 -4.97 116.55 110.35 2qal n ASP 55 Ca 0.03 0.86 0.00 0.00 0.71 0.00 0.00 54.79 56.40 2qal n ASP 55 Cb 0.82 -3.01 0.00 0.00 -0.02 0.00 0.00 41.12 38.91 2qal n ASP 55 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 2qal n MET 56 N -0.88 0.00 0.00 -1.24 1.56 -1.25 -4.68 117.12 110.63 2qal n MET 56 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 2qal n MET 56 Cb 0.00 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.37 2qal n MET 56 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 2qal n VAL 57 N 0.00 0.00 -1.73 1.12 0.31 -1.26 -3.64 118.33 113.14 2qal n VAL 57 Ca 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.39 2qal n VAL 57 Cb 0.00 0.00 0.12 0.00 -0.91 0.00 0.00 33.84 33.05 2qal n VAL 57 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 2qal n GLU 58 N 0.00 0.93 -0.02 5.55 0.00 -1.03 -1.78 120.64 124.29 2qal n GLU 58 Ca 0.00 -2.51 -0.06 0.00 0.00 0.00 0.00 57.16 54.60 2qal n GLU 58 Cb 0.00 -1.06 -0.02 0.00 0.00 0.00 0.00 31.44 30.36 2qal n GLU 58 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2qal n LYS 59 N -0.67 0.24 -3.80 3.44 5.02 0.40 -4.72 118.16 118.08 2qal n LYS 59 Ca 0.13 0.10 -0.00 0.00 -2.02 0.00 0.00 58.31 56.51 2qal n LYS 59 Cb 0.78 -0.93 0.00 0.00 -0.02 0.00 0.00 35.03 34.87 2qal n LYS 59 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 2qal s LEU 60 N -7.29 -0.05 -0.04 -0.35 2.34 0.26 -3.57 118.68 109.99 2qal s LEU 60 Ca -0.14 -0.34 0.03 0.00 0.06 0.00 0.00 54.13 53.74 2qal s LEU 60 Cb 0.03 1.68 0.00 0.00 -0.56 0.00 0.00 46.19 47.34 2qal s LEU 60 CO 0.20 -0.58 -0.13 1.51 -1.06 0.00 0.00 176.35 176.29 2qal s ASP 61 N -3.29 1.67 0.27 1.48 3.84 0.22 -3.24 116.67 117.63 2qal s ASP 61 Ca 0.20 -0.27 0.10 0.00 -0.00 0.00 0.00 52.55 52.58 2qal s ASP 61 Cb 0.01 -0.48 -0.05 0.00 -1.38 0.00 0.00 42.92 41.02 2qal s ASP 61 CO 0.00 0.10 -0.06 -0.76 -0.00 0.00 0.00 175.17 174.45 2qal s LEU 62 N 0.17 2.99 -0.38 2.11 2.01 -1.14 -1.76 118.68 122.68 2qal s LEU 62 Ca -0.04 -0.78 -0.07 0.00 0.01 0.00 0.00 54.13 53.24 2qal s LEU 62 Cb -0.10 -1.50 0.06 0.00 0.01 0.00 0.00 46.19 44.65 2qal s LEU 62 CO 0.01 0.00 0.18 -0.47 1.01 0.00 0.00 176.35 177.09 2qal s TYR 63 N -2.39 3.32 0.05 0.29 5.04 -0.76 -3.63 117.35 119.26 2qal s TYR 63 Ca 0.31 -1.54 -0.18 0.00 -2.44 0.00 0.00 57.07 53.22 2qal s TYR 63 Cb -0.06 -2.65 -0.06 0.00 0.35 0.00 0.00 41.96 39.54 2qal s TYR 63 CO 0.18 -0.80 0.53 0.42 -1.34 0.00 0.00 175.55 174.54 2qal s ILE 64 N 1.39 4.83 -0.40 3.14 1.09 -0.36 -1.71 121.20 129.19 2qal s ILE 64 Ca 0.01 1.12 0.04 0.00 -1.10 0.00 0.00 60.65 60.72 2qal s ILE 64 Cb -0.21 -3.85 0.16 0.00 -1.06 0.00 0.00 42.46 37.50 2qal s ILE 64 CO 0.02 0.55 0.39 -0.89 -0.10 0.00 0.00 174.94 174.91 2qal s THR 65 N -1.00 -0.12 0.14 2.92 2.01 0.25 -0.71 115.64 119.13 2qal s THR 65 Ca 0.28 -1.70 0.05 0.00 0.31 0.00 0.00 61.69 60.63 2qal s THR 65 Cb -0.19 -0.84 -0.04 0.00 0.01 0.00 0.00 72.50 71.44 2qal s THR 65 CO 0.17 -0.80 0.06 0.54 -0.69 0.00 0.00 174.62 173.91 2qal s VAL 66 N 0.80 4.17 0.07 3.82 0.11 -1.26 -0.73 120.40 127.38 2qal s VAL 66 Ca 0.25 -1.12 -0.26 0.00 -2.93 0.00 0.00 61.98 57.92 2qal s VAL 66 Cb -0.07 -3.07 0.09 0.00 -1.53 0.00 0.00 36.38 31.79 2qal s VAL 66 CO -0.08 -0.03 0.77 -1.59 -3.33 0.00 0.00 175.10 170.84 2qal s LYS 67 N -2.79 1.02 0.15 1.54 0.00 0.15 -4.82 119.74 114.99 2qal s LYS 67 Ca 0.29 -0.38 0.00 0.00 0.00 0.00 0.00 55.97 55.88 2qal s LYS 67 Cb -0.10 0.47 0.00 0.00 0.00 0.00 0.00 37.83 38.19 2qal s LYS 67 CO 0.21 -0.45 0.00 0.41 0.00 0.00 0.00 175.35 175.52 2qal n GLY 68 N -0.30 -3.85 0.00 0.59 0.00 -1.26 -1.15 105.19 99.21 2qal n GLY 68 Ca -0.12 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.06 2qal n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qal n GLY 69 N -0.36 0.45 0.00 -0.02 0.00 -1.07 -3.43 105.19 100.76 2qal n GLY 69 Ca 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.48 2qal n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qal n GLY 70 N 0.00 2.80 0.00 -0.02 0.00 -1.26 -4.95 105.19 101.75 2qal n GLY 70 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.04 2qal n GLY 70 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2qal n ILE 71 N 0.00 0.00 0.10 -0.61 -0.00 -1.26 0.13 119.36 117.73 2qal n ILE 71 Ca 0.00 1.39 0.15 0.00 -0.00 0.00 0.00 62.75 64.28 2qal n ILE 71 Cb 0.00 -2.28 0.66 0.00 -0.00 0.00 0.00 39.64 38.02 2qal n ILE 71 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.55 177.32 2qal h SER 72 N 0.00 0.02 0.51 4.38 4.64 -1.99 -1.56 113.55 119.55 2qal h SER 72 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 2qal h SER 72 Cb 0.00 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2qal h SER 72 CO 0.00 0.01 -0.24 1.23 -0.87 0.00 0.00 176.83 176.96 2qal h GLY 73 N 0.02 -0.71 0.08 -0.77 0.00 -1.80 -0.62 103.07 99.28 2qal h GLY 73 Ca 0.15 0.26 0.01 0.00 0.00 0.00 0.00 47.33 47.75 2qal h GLY 73 CO -0.01 -0.26 -0.41 1.46 0.00 0.00 0.00 176.54 177.32 2qal h GLN 74 N -0.91 -0.56 -0.46 4.80 7.50 0.18 0.22 115.11 125.88 2qal h GLN 74 Ca -0.07 0.04 0.06 0.00 0.50 0.00 0.00 58.65 59.18 2qal h GLN 74 Cb 0.60 0.13 -0.09 0.00 0.05 0.00 0.00 27.48 28.17 2qal h GLN 74 CO 0.11 -0.37 -0.52 0.00 -1.50 0.00 0.00 178.83 176.55 2qal h ALA 75 N -0.76 -0.64 -0.77 3.87 0.00 -1.36 0.88 119.26 120.49 2qal h ALA 75 Ca -0.00 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.00 2qal h ALA 75 Cb 0.59 1.07 -0.06 0.00 0.00 0.00 0.00 17.79 19.39 2qal h ALA 75 CO -0.23 -0.98 0.46 0.78 0.00 0.00 0.00 179.25 179.27 2qal h GLY 76 N -0.35 1.15 0.85 0.00 0.00 -0.90 -2.17 103.07 101.66 2qal h GLY 76 Ca 0.11 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 47.09 2qal h GLY 76 CO -0.62 0.21 -0.33 0.00 0.00 0.00 0.00 176.54 175.79 2qal h ALA 77 N 1.38 -0.84 -0.56 3.60 0.00 0.77 -2.80 119.26 120.81 2qal h ALA 77 Ca 0.34 -0.16 0.11 0.00 0.00 0.00 0.00 54.91 55.20 2qal h ALA 77 Cb 0.19 0.41 -0.10 0.00 0.00 0.00 0.00 17.79 18.30 2qal h ALA 77 CO -0.18 -0.99 -0.03 0.82 0.00 0.00 0.00 179.25 178.87 2qal h ILE 78 N -0.83 0.53 -0.95 0.00 2.04 -0.66 0.19 117.51 117.83 2qal h ILE 78 Ca -0.06 -0.03 0.22 0.00 1.00 0.00 0.00 64.86 65.99 2qal h ILE 78 Cb 0.68 0.43 -0.07 0.00 -0.74 0.00 0.00 36.82 37.11 2qal h ILE 78 CO 0.06 0.02 0.62 -0.09 0.00 0.00 0.00 178.15 178.76 2qal h ARG 79 N 0.09 0.38 0.25 2.37 2.43 -1.23 0.00 114.38 118.68 2qal h ARG 79 Ca 0.28 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.42 2qal h ARG 79 Cb 0.44 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 2qal h ARG 79 CO -0.49 0.25 -0.12 1.25 -1.51 0.00 0.00 179.97 179.35 2qal h HIS 80 N 0.39 -0.32 -0.54 2.20 2.76 -0.39 -2.47 115.15 116.78 2qal h HIS 80 Ca 0.50 -0.01 0.11 0.00 -2.20 0.00 0.00 60.37 58.77 2qal h HIS 80 Cb 1.29 0.10 -0.09 0.00 1.55 0.00 0.00 27.41 30.27 2qal h HIS 80 CO -0.00 0.05 0.02 0.78 -1.30 0.00 0.00 177.93 177.48 2qal h GLY 81 N -0.80 0.58 0.00 5.26 0.00 -0.55 0.16 103.07 107.73 2qal h GLY 81 Ca -0.03 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2qal h GLY 81 CO 0.06 -0.14 0.00 1.39 0.00 0.00 0.00 176.54 177.84 2qal n ILE 82 N -5.22 0.00 -0.33 2.60 5.41 -0.15 -0.17 119.36 121.50 2qal n ILE 82 Ca 0.07 1.47 0.33 0.00 1.00 0.00 0.00 62.75 65.62 2qal n ILE 82 Cb 0.29 -2.31 0.70 0.00 -0.71 0.00 0.00 39.64 37.62 2qal n ILE 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2qal h THR 83 N 0.00 0.42 0.67 1.39 1.03 -1.26 0.27 112.91 115.43 2qal h THR 83 Ca 0.00 -0.03 -0.03 0.00 -0.01 0.00 0.00 66.41 66.34 2qal h THR 83 Cb 0.00 0.32 0.01 0.00 -1.07 0.00 0.00 68.15 67.41 2qal h THR 83 CO 0.00 0.02 -0.32 0.03 -0.01 0.00 0.00 175.52 175.23 2qal h ARG 84 N 0.08 -0.87 -0.59 0.00 2.47 0.15 -3.18 114.38 112.44 2qal h ARG 84 Ca 0.58 0.06 0.08 0.00 -1.26 0.00 0.00 59.98 59.45 2qal h ARG 84 Cb 2.14 0.20 -0.04 0.00 -1.65 0.00 0.00 29.97 30.62 2qal h ARG 84 CO -0.08 -0.57 0.40 0.00 0.56 0.00 0.00 179.97 180.28 2qal h ALA 85 N -1.19 1.94 -0.99 0.04 0.00 0.10 -1.74 119.26 117.44 2qal h ALA 85 Ca -0.09 -0.01 0.22 0.00 0.00 0.00 0.00 54.91 55.03 2qal h ALA 85 Cb 0.70 -0.10 -0.12 0.00 0.00 0.00 0.00 17.79 18.27 2qal h ALA 85 CO 0.15 -0.06 0.58 -0.07 0.00 0.00 0.00 179.25 179.84 2qal h LEU 86 N 0.47 0.67 -1.52 0.00 4.07 -1.00 0.29 115.31 118.29 2qal h LEU 86 Ca 0.27 0.13 0.14 0.00 0.08 0.00 0.00 57.88 58.49 2qal h LEU 86 Cb 0.45 0.02 -0.05 0.00 1.08 0.00 0.00 40.66 42.15 2qal h LEU 86 CO -0.08 0.15 0.50 -0.03 -1.08 0.00 0.00 178.44 177.91 2qal h MET 87 N 0.62 0.47 -0.08 1.13 4.05 -1.36 0.20 114.93 119.98 2qal h MET 87 Ca 0.61 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 60.00 2qal h MET 87 Cb 1.10 -0.11 -0.00 0.00 -0.80 0.00 0.00 31.60 31.79 2qal h MET 87 CO -0.45 0.31 0.02 0.93 0.23 0.00 0.00 176.91 177.96 2qal h GLU 88 N 0.49 0.12 0.00 0.39 5.08 -0.55 0.05 114.58 120.15 2qal h GLU 88 Ca 0.37 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.65 2qal h GLU 88 Cb 0.75 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 2qal h GLU 88 CO -0.13 0.29 -0.26 -0.92 -1.00 0.00 0.00 179.01 177.00 2qal h TYR 89 N -0.07 0.00 -0.81 4.33 3.20 -1.20 -3.41 116.97 119.00 2qal h TYR 89 Ca 0.02 0.00 0.09 0.00 3.14 0.00 0.00 58.73 61.99 2qal h TYR 89 Cb 0.22 0.00 -0.21 0.00 1.54 0.00 0.00 36.73 38.29 2qal h TYR 89 CO -0.00 0.26 -0.25 0.34 -1.64 0.00 0.00 178.16 176.87 2qal s ASP 90 N -6.54 -1.27 0.00 -2.11 3.68 -0.04 -5.01 116.67 105.37 2qal s ASP 90 Ca -0.02 0.33 0.17 0.00 2.13 0.00 0.00 52.55 55.16 2qal s ASP 90 Cb 0.13 1.88 1.03 0.00 -1.45 0.00 0.00 42.92 44.51 2qal s ASP 90 CO 0.66 -0.23 1.43 1.21 0.13 0.00 0.00 175.17 178.37 2qal n GLU 91 N 5.37 0.58 -0.05 4.34 0.00 -0.02 -3.35 120.64 127.51 2qal n GLU 91 Ca 0.03 0.00 -0.22 0.00 0.00 0.00 0.00 57.16 56.98 2qal n GLU 91 Cb 0.54 -1.47 -0.13 0.00 0.00 0.00 0.00 31.44 30.39 2qal n GLU 91 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.13 177.90 2qal h SER 92 N 0.00 0.20 0.00 4.31 0.02 -1.93 -3.36 113.55 112.79 2qal h SER 92 Ca 0.00 -0.72 0.00 0.00 -0.84 0.00 0.00 61.79 60.23 2qal h SER 92 Cb 0.00 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.47 2qal h SER 92 CO 0.00 1.65 0.04 0.00 -1.14 0.00 0.00 176.83 177.38 2qal n LEU 93 N -4.01 0.06 0.15 5.07 -0.00 -1.21 -2.76 117.00 114.30 2qal n LEU 93 Ca -0.31 0.50 -0.14 0.00 -0.00 0.00 0.00 56.01 56.06 2qal n LEU 93 Cb 0.85 -0.50 -0.06 0.00 -0.00 0.00 0.00 43.42 43.70 2qal n LEU 93 CO 0.31 -0.52 0.68 0.03 -0.00 0.00 0.00 177.39 177.88 2qal h ARG 94 N 0.00 -0.53 -0.94 1.47 2.47 -1.75 -1.85 114.38 113.26 2qal h ARG 94 Ca 0.00 0.04 0.33 0.00 -1.26 0.00 0.00 59.98 59.09 2qal h ARG 94 Cb 0.07 0.12 -0.17 0.00 -1.65 0.00 0.00 29.97 28.34 2qal h ARG 94 CO 0.00 -0.35 0.28 0.45 0.56 0.00 0.00 179.97 180.91 2qal n SER 95 N -5.40 0.13 -0.00 7.04 2.88 -1.11 -0.03 113.62 117.12 2qal n SER 95 Ca -0.08 1.57 -0.17 0.00 -1.33 0.00 0.00 58.87 58.86 2qal n SER 95 Cb 0.31 -0.68 -0.12 0.00 -0.75 0.00 0.00 64.21 62.97 2qal n SER 95 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2qal h GLU 96 N 0.00 0.31 -0.55 -1.46 4.39 -1.68 -1.81 114.58 113.78 2qal h GLU 96 Ca 0.69 -0.35 0.07 0.00 0.34 0.00 0.00 59.36 60.11 2qal h GLU 96 Cb 1.67 0.11 -0.06 0.00 -0.10 0.00 0.00 28.75 30.37 2qal h GLU 96 CO -0.79 1.06 0.22 -0.07 -1.16 0.00 0.00 179.01 178.27 2qal h LEU 97 N -0.30 0.26 -0.59 1.33 3.38 0.37 -1.41 115.31 118.36 2qal h LEU 97 Ca -0.07 0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 2qal h LEU 97 Cb 1.25 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 42.00 2qal h LEU 97 CO 0.10 0.17 0.12 -0.09 0.09 0.00 0.00 178.44 178.83 2qal h ARG 98 N 0.42 0.95 -0.17 1.13 2.43 -0.58 -2.35 114.38 116.22 2qal h ARG 98 Ca 0.26 -0.24 0.05 0.00 -0.81 0.00 0.00 59.98 59.24 2qal h ARG 98 Cb 0.26 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 2qal h ARG 98 CO -0.24 0.89 0.30 -0.22 -1.51 0.00 0.00 179.97 179.19 2qal h LYS 99 N 0.86 0.00 -0.48 0.20 3.64 -0.36 0.26 116.57 120.68 2qal h LYS 99 Ca 0.18 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 2qal h LYS 99 Cb 0.38 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 2qal h LYS 99 CO 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.19 2qal n ALA 100 N -2.16 3.56 -3.18 5.00 0.00 -0.91 -4.97 120.51 117.86 2qal n ALA 100 Ca 0.02 -2.03 -0.09 0.00 0.00 0.00 0.00 53.44 51.33 2qal n ALA 100 Cb 0.41 -0.98 0.04 0.00 0.00 0.00 0.00 19.45 18.91 2qal n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qal n GLY 101 N 0.28 -1.20 1.23 0.00 0.00 0.90 -4.98 105.19 101.43 2qal n GLY 101 Ca 0.26 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.82 2qal n GLY 101 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2qal n PHE 102 N -2.65 -0.36 -0.25 1.61 0.99 -1.07 -4.78 117.46 110.95 2qal n PHE 102 Ca -0.04 0.06 0.26 0.00 -0.00 0.00 0.00 57.45 57.73 2qal n PHE 102 Cb 0.57 0.12 0.62 0.00 -1.00 0.00 0.00 39.48 39.79 2qal n PHE 102 CO 0.00 0.00 0.00 -0.39 -0.00 0.00 0.00 176.76 176.37 2qal h VAL 103 N 0.00 0.56 -4.17 -4.37 -1.51 -1.85 -3.42 116.25 101.50 2qal h VAL 103 Ca 0.00 -0.07 -0.51 0.00 -1.23 0.00 0.00 66.70 64.90 2qal h VAL 103 Cb 0.27 0.35 0.18 0.00 -2.13 0.00 0.00 31.29 29.95 2qal h VAL 103 CO 0.00 0.04 0.23 0.42 -1.23 0.00 0.00 177.57 177.03 2qal s THR 104 N -5.21 2.45 -0.15 7.19 -4.23 -1.26 -5.03 115.64 109.40 2qal s THR 104 Ca -0.07 0.15 0.01 0.00 -1.18 0.00 0.00 61.69 60.60 2qal s THR 104 Cb 0.23 -2.34 0.02 0.00 1.34 0.00 0.00 72.50 71.75 2qal s THR 104 CO 0.79 -0.19 -0.15 -0.60 -0.54 0.00 0.00 174.62 173.92 2qal s ARG 105 N -4.73 2.42 -0.72 3.99 3.00 -1.26 -5.05 118.95 116.60 2qal s ARG 105 Ca 0.65 -0.61 -0.26 0.00 -1.00 0.00 0.00 55.73 54.51 2qal s ARG 105 Cb -0.21 -2.16 -0.11 0.00 0.00 0.00 0.00 34.95 32.47 2qal s ARG 105 CO 0.58 -0.21 2.36 -0.51 0.00 0.00 0.00 175.30 177.53 2qal s ASP 106 N 1.38 4.15 0.00 -2.12 -0.00 -1.26 -4.74 116.67 114.08 2qal s ASP 106 Ca 0.03 0.27 0.08 0.00 -0.00 0.00 0.00 52.55 52.93 2qal s ASP 106 Cb -0.13 -2.54 0.45 0.00 -0.00 0.00 0.00 42.92 40.70 2qal s ASP 106 CO -0.10 -3.51 1.09 0.00 -0.00 0.00 0.00 175.17 172.65 2qal n ALA 107 N 17.50 1.64 -1.83 5.23 0.00 -1.26 -4.52 120.51 137.27 2qal n ALA 107 Ca 0.43 -0.04 -0.42 0.00 0.00 0.00 0.00 53.44 53.41 2qal n ALA 107 Cb 0.47 -1.14 -0.03 0.00 0.00 0.00 0.00 19.45 18.75 2qal n ALA 107 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2qal s ARG 108 N -2.41 4.17 -0.11 0.00 0.52 -1.26 -4.99 118.95 114.87 2qal s ARG 108 Ca 0.09 2.48 -0.15 0.00 -0.52 0.00 0.00 55.73 57.63 2qal s ARG 108 Cb 0.06 -3.20 0.04 0.00 0.52 0.00 0.00 34.95 32.36 2qal s ARG 108 CO 0.12 -0.70 0.40 -1.14 0.02 0.00 0.00 175.30 174.00 2qal s GLN 109 N 1.42 0.56 0.21 3.54 -0.44 -1.26 -4.38 119.66 119.30 2qal s GLN 109 Ca 0.73 0.37 -0.30 0.00 -2.50 0.00 0.00 55.36 53.66 2qal s GLN 109 Cb -0.46 0.26 -0.16 0.00 -1.64 0.00 0.00 33.01 31.01 2qal s GLN 109 CO 0.32 -0.10 0.87 0.28 0.50 0.00 0.00 175.29 177.16 2qal n VAL 110 N 2.37 1.60 -3.32 1.34 0.31 -1.26 -4.92 118.33 114.45 2qal n VAL 110 Ca -0.16 -0.40 -0.38 0.00 -0.01 0.00 0.00 64.34 63.39 2qal n VAL 110 Cb 0.57 -0.52 -0.06 0.00 -0.91 0.00 0.00 33.84 32.92 2qal n VAL 110 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2qal s GLU 111 N -0.97 4.21 0.35 5.55 2.02 -1.26 -5.04 118.70 123.57 2qal s GLU 111 Ca 0.66 0.58 -0.29 0.00 0.02 0.00 0.00 54.97 55.95 2qal s GLU 111 Cb -0.86 -3.32 -0.11 0.00 0.10 0.00 0.00 34.13 29.93 2qal s GLU 111 CO 0.57 0.43 1.50 -0.98 0.02 0.00 0.00 175.26 176.79 2qal s ARG 112 N -0.31 4.13 -0.38 1.61 1.70 -1.26 -4.80 118.95 119.63 2qal s ARG 112 Ca 0.28 2.55 -0.28 0.00 -0.47 0.00 0.00 55.73 57.81 2qal s ARG 112 Cb -0.17 -2.99 -0.03 0.00 -0.57 0.00 0.00 34.95 31.19 2qal s ARG 112 CO 0.15 -0.53 1.92 0.21 -1.08 0.00 0.00 175.30 175.97 2qal s LYS 113 N -1.70 3.06 0.73 3.89 2.20 -1.26 -4.45 119.74 122.21 2qal s LYS 113 Ca 0.55 1.35 -0.14 0.00 -0.36 0.00 0.00 55.97 57.37 2qal s LYS 113 Cb -0.46 -4.29 0.04 0.00 -1.51 0.00 0.00 37.83 31.60 2qal s LYS 113 CO 0.59 -2.19 1.15 0.15 -0.36 0.00 0.00 175.35 174.69 2qal s LYS 114 N 6.26 2.25 0.45 4.03 1.02 -1.26 -4.76 119.74 127.73 2qal s LYS 114 Ca 0.82 1.52 -0.21 0.00 0.02 0.00 0.00 55.97 58.11 2qal s LYS 114 Cb -0.21 -1.87 -0.10 0.00 -0.52 0.00 0.00 37.83 35.13 2qal s LYS 114 CO 0.31 -1.70 1.00 0.54 -0.92 0.00 0.00 175.35 174.57 2qal s VAL 115 N -2.33 4.07 0.00 3.17 0.11 -1.26 -3.69 120.40 120.47 2qal s VAL 115 Ca 0.69 1.32 0.00 0.00 -2.93 0.00 0.00 61.98 61.05 2qal s VAL 115 Cb -0.23 -3.55 0.00 0.00 -1.53 0.00 0.00 36.38 31.07 2qal s VAL 115 CO 0.47 -0.25 0.00 0.61 -3.33 0.00 0.00 175.10 172.60 2qal n GLY 116 N -0.36 2.42 0.00 6.54 0.00 -1.26 -4.99 105.19 107.55 2qal n GLY 116 Ca 0.08 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.56 2qal n GLY 116 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qal n LEU 117 N 0.00 0.00 0.00 0.99 4.77 -1.24 -4.85 117.00 116.67 2qal n LEU 117 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2qal n LEU 117 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2qal n LEU 117 CO 0.00 -0.46 -0.18 -1.14 -1.33 0.00 0.00 177.39 174.27 2qal n ARG 118 N -0.70 4.03 -2.70 3.23 0.63 0.82 -4.90 116.66 117.07 2qal n ARG 118 Ca 0.00 0.00 -0.06 0.00 -0.92 0.00 0.00 57.85 56.87 2qal n ARG 118 Cb 0.00 -0.66 0.10 0.00 0.45 0.00 0.00 32.46 32.35 2qal n ARG 118 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 2qal n LYS 119 N -1.10 0.62 0.00 -0.14 4.81 -1.25 -4.92 118.16 116.19 2qal n LYS 119 Ca 0.00 -1.36 0.00 0.00 -0.87 0.00 0.00 58.31 56.08 2qal n LYS 119 Cb 0.00 -0.60 0.00 0.00 0.02 0.00 0.00 35.03 34.45 2qal n LYS 119 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2qal n ALA 120 N 0.37 0.00 0.00 3.14 0.00 -1.26 -3.59 120.51 119.18 2qal n ALA 120 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qal n ALA 120 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.18 2qal n ALA 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qal n ARG 121 N -1.08 0.00 -1.49 0.00 5.12 -1.26 -4.55 116.66 113.41 2qal n ARG 121 Ca 0.00 0.00 -0.45 0.00 -1.93 0.00 0.00 57.85 55.47 2qal n ARG 121 Cb 0.00 -0.21 -0.07 0.00 -1.16 0.00 0.00 32.46 31.02 2qal n ARG 121 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 2qal n ARG 122 N -1.77 0.93 -3.21 5.56 3.00 -1.24 -4.82 116.66 115.12 2qal n ARG 122 Ca 0.00 0.18 -0.41 0.00 -0.00 0.00 0.00 57.85 57.62 2qal n ARG 122 Cb 0.00 -2.59 -0.07 0.00 0.00 0.00 0.00 32.46 29.80 2qal n ARG 122 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2qal s ARG 123 N 7.20 3.86 0.23 -0.14 1.81 -1.26 -0.13 118.95 130.52 2qal s ARG 123 Ca 1.11 0.13 -0.32 0.00 -1.72 0.00 0.00 55.73 54.93 2qal s ARG 123 Cb -0.73 -3.73 -0.13 0.00 -0.45 0.00 0.00 34.95 29.92 2qal s ARG 123 CO 0.43 -0.51 1.61 -0.35 -0.68 0.00 0.00 175.30 175.79 2qal n PRO 124 N 5.70 2.50 -1.68 3.54 -0.04 -1.26 -4.90 135.00 138.86 2qal n PRO 124 Ca -0.04 0.90 -0.42 0.00 -0.04 0.00 0.00 63.50 63.90 2qal n PRO 124 Cb 0.49 -2.68 -0.00 0.00 -0.04 0.00 0.00 33.50 31.27 2qal n PRO 124 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qal n GLN 125 N 3.02 1.94 -0.02 0.54 10.64 -1.26 -4.91 117.38 127.33 2qal n GLN 125 Ca 0.13 0.68 0.07 0.00 -1.83 0.00 0.00 57.00 56.05 2qal n GLN 125 Cb 0.33 -2.28 -0.15 0.00 -0.86 0.00 0.00 30.24 27.29 2qal n GLN 125 CO 0.00 0.00 0.00 1.97 -1.83 0.00 0.00 177.06 177.20 2qal n PHE 126 N 0.10 0.00 0.00 2.61 1.16 -1.26 -4.99 117.46 115.08 2qal n PHE 126 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.64 2qal n PHE 126 Cb 0.37 -0.52 0.00 0.00 -1.61 0.00 0.00 39.48 37.72 2qal n PHE 126 CO 0.00 0.00 0.00 -1.13 -1.87 0.00 0.00 176.76 173.76 2qal n SER 127 N -2.26 0.00 -4.53 5.98 3.41 -1.26 -4.69 113.62 110.26 2qal n SER 127 Ca -0.08 0.00 -0.47 0.00 -0.26 0.00 0.00 58.87 58.06 2qal n SER 127 Cb 0.61 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.51 2qal n SER 127 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2qal n LYS 128 N 0.00 1.56 0.00 4.33 3.00 -1.26 -5.35 118.16 120.44 2qal n LYS 128 Ca 0.00 0.44 0.06 0.00 -0.00 0.00 0.00 58.31 58.81 2qal n LYS 128 Cb 0.00 -2.81 0.05 0.00 0.00 0.00 0.00 35.03 32.27 2qal n LYS 128 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27