#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qba n ILE 2 N 0.00 0.00 -3.62 3.17 -0.00 -1.26 -4.84 119.36 112.81 2qba n ILE 2 Ca 0.00 -0.38 -0.29 0.00 -0.00 0.00 0.00 62.75 62.08 2qba n ILE 2 Cb 0.00 1.05 -0.15 0.00 -0.00 0.00 0.00 39.64 40.54 2qba n ILE 2 CO 0.00 0.00 0.00 -0.13 -0.00 0.00 0.00 176.55 176.42 2qba s ARG 3 N -1.36 0.38 0.56 6.28 1.81 -1.26 -5.13 118.95 120.23 2qba s ARG 3 Ca 0.05 -0.68 -0.18 0.00 -1.72 0.00 0.00 55.73 53.20 2qba s ARG 3 Cb 0.06 -1.52 -0.12 0.00 -0.45 0.00 0.00 34.95 32.92 2qba s ARG 3 CO 0.23 -0.97 0.14 -1.91 -0.68 0.00 0.00 175.30 172.12 2qba n GLU 4 N 5.11 0.22 0.13 3.54 0.00 -1.26 -4.89 120.64 123.48 2qba n GLU 4 Ca -0.05 0.09 0.12 0.00 0.00 0.00 0.00 57.16 57.32 2qba n GLU 4 Cb 0.43 -1.32 0.09 0.00 0.00 0.00 0.00 31.44 30.64 2qba n GLU 4 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.13 178.18 2qba h GLU 5 N 0.03 0.00 0.00 5.31 4.11 -2.00 -3.22 114.58 118.82 2qba h GLU 5 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.00 2qba h GLU 5 Cb 1.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.67 2qba h GLU 5 CO 0.43 0.00 0.00 0.54 0.07 0.00 0.00 179.01 180.05 2qba n ARG 6 N -2.68 0.01 0.00 1.06 1.74 -1.26 0.13 116.66 115.65 2qba n ARG 6 Ca 0.02 0.42 0.00 0.00 -0.77 0.00 0.00 57.85 57.52 2qba n ARG 6 Cb 0.52 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.46 2qba n ARG 6 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2qba n LEU 7 N -1.47 0.60 -0.56 0.55 -0.00 -1.23 -4.64 117.00 110.25 2qba n LEU 7 Ca 0.01 -0.80 0.00 0.00 -0.00 0.00 0.00 56.01 55.22 2qba n LEU 7 Cb 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.46 2qba n LEU 7 CO 0.03 0.15 0.25 0.18 -0.00 0.00 0.00 177.39 178.00 2qba n LEU 8 N -0.40 1.12 -0.79 -1.96 4.77 0.12 -2.93 117.00 116.93 2qba n LEU 8 Ca 0.00 -0.56 0.13 0.00 -0.03 0.00 0.00 56.01 55.55 2qba n LEU 8 Cb 0.00 -0.45 0.26 0.00 -2.33 0.00 0.00 43.42 40.91 2qba n LEU 8 CO 0.00 0.25 0.72 2.29 -1.33 0.00 0.00 177.39 179.33 2qba n LYS 9 N 0.11 2.09 -0.07 3.23 0.00 -1.26 -4.64 118.16 117.62 2qba n LYS 9 Ca 0.00 -1.58 -0.01 0.00 -0.00 0.00 0.00 58.31 56.72 2qba n LYS 9 Cb 0.25 -1.47 -0.00 0.00 -0.00 0.00 0.00 35.03 33.81 2qba n LYS 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2qba n VAL 10 N 0.91 -0.11 -1.53 0.58 0.31 -1.15 -3.85 118.33 113.50 2qba n VAL 10 Ca 0.16 0.42 -0.31 0.00 -0.01 0.00 0.00 64.34 64.60 2qba n VAL 10 Cb 0.51 -0.54 -0.09 0.00 -0.91 0.00 0.00 33.84 32.80 2qba n VAL 10 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2qba n LEU 11 N -4.24 1.22 0.10 7.52 7.99 -1.26 -3.18 117.00 125.15 2qba n LEU 11 Ca 0.01 -0.55 -0.16 0.00 -0.01 0.00 0.00 56.01 55.30 2qba n LEU 11 Cb 0.06 -1.30 -0.12 0.00 -0.11 0.00 0.00 43.42 41.95 2qba n LEU 11 CO -0.03 -1.57 -0.00 0.03 -1.51 0.00 0.00 177.39 174.31 2qba h ARG 12 N 15.21 0.31 -1.30 3.23 3.08 -1.56 -3.48 114.38 129.87 2qba h ARG 12 Ca -0.11 -0.47 0.16 0.00 0.07 0.00 0.00 59.98 59.63 2qba h ARG 12 Cb 1.21 0.17 -0.26 0.00 0.08 0.00 0.00 29.97 31.17 2qba h ARG 12 CO 1.24 1.20 0.75 0.00 -1.07 0.00 0.00 179.97 182.10 2qba s ALA 13 N -2.79 -2.04 -0.50 0.04 0.00 0.15 -5.02 121.76 111.61 2qba s ALA 13 Ca -0.04 1.75 -0.29 0.00 0.00 0.00 0.00 51.96 53.38 2qba s ALA 13 Cb 0.07 -1.18 0.03 0.00 0.00 0.00 0.00 23.12 22.05 2qba s ALA 13 CO 0.88 -0.26 1.17 -1.25 0.00 0.00 0.00 175.76 176.30 2qba s PRO 14 N -0.96 3.67 0.17 0.00 0.04 -1.26 0.68 135.00 137.33 2qba s PRO 14 Ca 0.04 0.52 -0.00 0.00 0.04 0.00 0.00 61.00 61.59 2qba s PRO 14 Cb -0.01 -3.94 0.03 0.00 0.04 0.00 0.00 34.50 30.62 2qba s PRO 14 CO -0.04 -1.46 1.41 1.25 0.04 0.00 0.00 177.00 178.19 2qba h HIS 15 N 9.39 0.45 0.00 0.56 2.76 -1.83 -3.45 115.15 123.02 2qba h HIS 15 Ca -0.24 -0.22 0.00 0.00 -2.20 0.00 0.00 60.37 57.72 2qba h HIS 15 Cb 1.06 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.96 2qba h HIS 15 CO 0.99 0.99 0.00 0.28 -1.30 0.00 0.00 177.93 178.89 2qba n VAL 16 N -3.77 0.00 -4.04 5.26 0.31 -1.19 -4.84 118.33 110.06 2qba n VAL 16 Ca -0.04 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.16 2qba n VAL 16 Cb 0.75 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 33.56 2qba n VAL 16 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2qba s SER 17 N 0.00 0.56 0.42 4.52 0.01 -1.26 -4.76 113.70 113.19 2qba s SER 17 Ca 0.00 -0.38 0.00 0.00 1.31 0.00 0.00 55.95 56.88 2qba s SER 17 Cb 0.00 0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.26 2qba s SER 17 CO 0.00 -0.15 0.00 -0.62 0.41 0.00 0.00 173.24 172.88 2qba n GLU 18 N 2.00 -2.68 0.00 12.44 -0.58 -1.26 -2.60 120.64 127.95 2qba n GLU 18 Ca -0.20 2.01 0.00 0.00 -0.42 0.00 0.00 57.16 58.56 2qba n GLU 18 Cb 0.56 -3.20 0.00 0.00 -0.57 0.00 0.00 31.44 28.23 2qba n GLU 18 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2qba n LYS 19 N -4.05 0.17 0.01 3.49 4.81 -1.26 -2.75 118.16 118.58 2qba n LYS 19 Ca -0.03 0.00 -0.00 0.00 -0.87 0.00 0.00 58.31 57.40 2qba n LYS 19 Cb 0.58 -1.35 -0.00 0.00 0.02 0.00 0.00 35.03 34.28 2qba n LYS 19 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2qba n ALA 20 N 0.81 2.87 -0.12 3.14 0.00 -1.25 -4.44 120.51 121.52 2qba n ALA 20 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2qba n ALA 20 Cb 0.07 0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.58 2qba n ALA 20 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2qba n SER 21 N -2.73 0.00 -0.20 0.00 7.64 -1.07 0.72 113.62 117.98 2qba n SER 21 Ca -0.00 0.94 -0.01 0.00 1.01 0.00 0.00 58.87 60.80 2qba n SER 21 Cb 0.01 -0.44 0.05 0.00 -1.01 0.00 0.00 64.21 62.82 2qba n SER 21 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 2qba h THR 22 N 0.00 0.39 0.20 0.44 1.35 -1.75 -0.71 112.91 112.83 2qba h THR 22 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2qba h THR 22 Cb 0.00 0.39 -0.04 0.00 -1.73 0.00 0.00 68.15 66.77 2qba h THR 22 CO 0.00 0.00 -0.48 0.00 -0.25 0.00 0.00 175.52 174.79 2qba h ALA 23 N 1.57 -1.00 0.00 6.62 0.00 -1.69 1.82 119.26 126.57 2qba h ALA 23 Ca 0.29 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2qba h ALA 23 Cb 0.44 0.82 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2qba h ALA 23 CO -0.62 -1.10 0.00 -1.33 0.00 0.00 0.00 179.25 176.20 2qba n MET 24 N -5.21 0.73 0.00 0.00 2.81 0.22 -2.20 117.12 113.47 2qba n MET 24 Ca -0.09 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.80 2qba n MET 24 Cb 0.39 -1.14 0.00 0.00 -0.71 0.00 0.00 33.22 31.76 2qba n MET 24 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 2qba n GLU 25 N 1.12 0.00 0.00 0.03 2.13 0.94 -4.33 120.64 120.53 2qba n GLU 25 Ca 0.00 0.00 0.08 0.00 0.66 0.00 0.00 57.16 57.90 2qba n GLU 25 Cb 0.36 -0.43 0.36 0.00 0.27 0.00 0.00 31.44 32.01 2qba n GLU 25 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2qba n LYS 26 N -1.33 0.00 -0.10 5.31 4.76 0.58 -1.77 118.16 125.62 2qba n LYS 26 Ca 0.00 0.21 -0.12 0.00 -2.87 0.00 0.00 58.31 55.53 2qba n LYS 26 Cb 0.00 -1.50 -0.12 0.00 -1.84 0.00 0.00 35.03 31.57 2qba n LYS 26 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2qba n SER 27 N -1.50 1.62 0.00 4.39 2.88 -1.11 -5.08 113.62 114.82 2qba n SER 27 Ca 0.04 -0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 2qba n SER 27 Cb 0.20 0.25 0.00 0.00 -0.75 0.00 0.00 64.21 63.90 2qba n SER 27 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2qba n ASN 28 N -2.89 0.00 -1.39 -3.46 6.94 -0.73 -5.12 115.26 108.62 2qba n ASN 28 Ca -0.33 0.00 0.17 0.00 -0.02 0.00 0.00 54.58 54.40 2qba n ASN 28 Cb 0.97 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 38.33 2qba n ASN 28 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 2qba n THR 29 N -0.79 0.00 -3.75 5.53 -2.24 -1.26 -2.29 114.28 109.48 2qba n THR 29 Ca 0.00 0.44 -0.13 0.00 -2.27 0.00 0.00 64.05 62.09 2qba n THR 29 Cb 0.00 -0.89 -0.10 0.00 -2.10 0.00 0.00 70.33 67.24 2qba n THR 29 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 2qba s ILE 30 N -3.23 0.00 0.28 2.28 2.07 -1.26 -4.16 121.20 117.17 2qba s ILE 30 Ca 0.00 -0.01 0.08 0.00 -1.41 0.00 0.00 60.65 59.31 2qba s ILE 30 Cb 0.00 -0.51 -0.04 0.00 0.13 0.00 0.00 42.46 42.04 2qba s ILE 30 CO 0.00 -0.01 0.11 0.68 -1.91 0.00 0.00 174.94 173.81 2qba s VAL 31 N 0.15 3.74 0.00 4.00 -7.23 -1.26 0.67 120.40 120.47 2qba s VAL 31 Ca -0.00 -1.66 0.00 0.00 -1.81 0.00 0.00 61.98 58.50 2qba s VAL 31 Cb -0.03 -3.09 0.00 0.00 0.56 0.00 0.00 36.38 33.83 2qba s VAL 31 CO 0.01 -0.32 0.00 0.00 -0.31 0.00 0.00 175.10 174.47 2qba n LEU 32 N -1.07 0.00 -4.63 1.32 -0.00 -1.26 -3.16 117.00 108.20 2qba n LEU 32 Ca -0.06 0.00 -0.43 0.00 -0.00 0.00 0.00 56.01 55.52 2qba n LEU 32 Cb 0.59 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.98 2qba n LEU 32 CO 0.42 0.00 1.64 -0.75 -0.00 0.00 0.00 177.39 178.70 2qba s LYS 33 N -1.38 3.67 -0.51 1.47 2.20 0.21 -1.03 119.74 124.38 2qba s LYS 33 Ca 0.00 2.16 0.03 0.00 -0.36 0.00 0.00 55.97 57.80 2qba s LYS 33 Cb 0.00 -4.21 0.14 0.00 -1.51 0.00 0.00 37.83 32.25 2qba s LYS 33 CO 0.00 -1.48 0.30 0.14 -0.36 0.00 0.00 175.35 173.95 2qba s VAL 34 N 6.11 1.94 0.00 4.02 -7.23 -1.25 -0.67 120.40 123.31 2qba s VAL 34 Ca 0.89 -3.09 0.00 0.00 -1.81 0.00 0.00 61.98 57.96 2qba s VAL 34 Cb -0.35 -2.33 0.00 0.00 0.56 0.00 0.00 36.38 34.26 2qba s VAL 34 CO 0.36 -0.91 0.00 0.00 -0.31 0.00 0.00 175.10 174.24 2qba n ALA 35 N 3.08 0.00 0.00 1.32 0.00 -1.19 -4.56 120.51 119.16 2qba n ALA 35 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2qba n ALA 35 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.80 2qba n ALA 35 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2qba n LYS 36 N -0.06 0.20 0.00 0.00 0.00 -1.26 -2.43 118.16 114.61 2qba n LYS 36 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 2qba n LYS 36 Cb 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 35.03 34.10 2qba n LYS 36 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2qba n ASP 37 N -2.32 0.00 0.00 3.14 10.43 -1.26 -4.86 116.55 121.68 2qba n ASP 37 Ca 0.00 0.92 0.00 0.00 2.57 0.00 0.00 54.79 58.28 2qba n ASP 37 Cb 0.43 -0.49 0.00 0.00 1.84 0.00 0.00 41.12 42.89 2qba n ASP 37 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2qba n ALA 38 N -1.98 0.00 0.00 2.24 0.00 -1.26 -4.91 120.51 114.59 2qba n ALA 38 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qba n ALA 38 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2qba n ALA 38 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2qba n THR 39 N 0.00 0.00 0.00 0.00 5.66 -1.26 -4.94 114.28 113.74 2qba n THR 39 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2qba n THR 39 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2qba n THR 39 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2qba n LYS 40 N 0.00 0.00 0.18 1.09 5.02 -1.26 -4.27 118.16 118.92 2qba n LYS 40 Ca 0.00 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.15 2qba n LYS 40 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 34.93 2qba n LYS 40 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qba h ALA 41 N 0.00 -0.46 0.00 7.82 0.00 -1.94 0.70 119.26 125.38 2qba h ALA 41 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2qba h ALA 41 Cb 0.00 0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2qba h ALA 41 CO 0.00 -0.63 0.00 -0.85 0.00 0.00 0.00 179.25 177.77 2qba n GLU 42 N -5.19 0.50 -0.12 0.00 0.28 -1.26 -0.75 120.64 114.11 2qba n GLU 42 Ca -0.10 0.00 -0.17 0.00 -0.16 0.00 0.00 57.16 56.73 2qba n GLU 42 Cb 0.26 -1.43 -0.13 0.00 1.43 0.00 0.00 31.44 31.58 2qba n GLU 42 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 2qba n ILE 43 N -0.93 1.49 0.31 3.84 5.41 -0.66 -3.51 119.36 125.32 2qba n ILE 43 Ca 0.10 -0.63 -0.14 0.00 1.00 0.00 0.00 62.75 63.09 2qba n ILE 43 Cb 0.05 -1.27 -0.07 0.00 -0.71 0.00 0.00 39.64 37.63 2qba n ILE 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 2qba h LYS 44 N 0.00 -0.80 -0.07 0.38 3.64 0.26 -1.10 116.57 118.88 2qba h LYS 44 Ca -0.56 0.05 0.02 0.00 -1.27 0.00 0.00 60.65 58.89 2qba h LYS 44 Cb 1.97 0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 33.97 2qba h LYS 44 CO -0.06 -0.50 0.19 0.00 -2.27 0.00 0.00 179.45 176.81 2qba h ALA 45 N -1.05 1.42 -0.12 5.00 0.00 -1.24 0.48 119.26 123.75 2qba h ALA 45 Ca -0.08 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.62 2qba h ALA 45 Cb 0.67 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2qba h ALA 45 CO 0.14 -0.23 -0.75 0.00 0.00 0.00 0.00 179.25 178.41 2qba h ALA 46 N 1.69 0.46 -0.01 0.00 0.00 -1.49 -2.26 119.26 117.66 2qba h ALA 46 Ca 0.04 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2qba h ALA 46 Cb 0.42 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2qba h ALA 46 CO -0.00 0.72 -0.17 0.28 0.00 0.00 0.00 179.25 180.09 2qba n VAL 47 N -3.89 0.00 -0.02 0.00 0.31 0.14 -2.88 118.33 111.99 2qba n VAL 47 Ca -0.06 -0.08 -0.01 0.00 -0.01 0.00 0.00 64.34 64.18 2qba n VAL 47 Cb 0.72 0.08 -0.00 0.00 -0.91 0.00 0.00 33.84 33.73 2qba n VAL 47 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 2qba h GLN 48 N 0.79 0.00 0.25 5.55 1.08 -0.50 -2.84 115.11 119.43 2qba h GLN 48 Ca 0.00 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 2qba h GLN 48 Cb 0.42 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.83 2qba h GLN 48 CO 0.00 0.00 -0.27 0.87 -0.95 0.00 0.00 178.83 178.48 2qba h LYS 49 N -0.40 -0.51 -7.27 1.46 1.79 -1.57 -2.78 116.57 107.30 2qba h LYS 49 Ca 0.00 0.03 -0.50 0.00 -2.18 0.00 0.00 60.65 58.01 2qba h LYS 49 Cb 0.07 0.12 0.07 0.00 -1.58 0.00 0.00 32.23 30.90 2qba h LYS 49 CO 0.00 -0.34 0.38 -0.51 -1.08 0.00 0.00 179.45 177.90 2qba s LEU 50 N -7.51 3.35 0.00 2.94 2.01 -1.14 -3.31 118.68 115.02 2qba s LEU 50 Ca -0.09 1.64 0.00 0.00 0.01 0.00 0.00 54.13 55.69 2qba s LEU 50 Cb 0.02 -4.51 0.00 0.00 0.01 0.00 0.00 46.19 41.72 2qba s LEU 50 CO 0.32 -1.11 0.00 0.49 1.01 0.00 0.00 176.35 177.06 2qba n PHE 51 N -2.44 0.00 -3.70 0.29 3.01 -1.26 -4.20 117.46 109.15 2qba n PHE 51 Ca 0.07 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.29 2qba n PHE 51 Cb 0.53 -0.02 0.03 0.00 -0.01 0.00 0.00 39.48 40.01 2qba n PHE 51 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 2qba n GLU 52 N -0.09 -3.21 -4.30 -1.08 1.02 -1.05 -4.99 120.64 106.93 2qba n GLU 52 Ca 0.00 0.55 -0.25 0.00 -0.02 0.00 0.00 57.16 57.44 2qba n GLU 52 Cb 0.00 -4.79 -0.08 0.00 -0.02 0.00 0.00 31.44 26.55 2qba n GLU 52 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2qba s VAL 53 N -3.63 2.51 0.00 2.62 1.01 -1.07 -5.04 120.40 116.79 2qba s VAL 53 Ca 0.19 -1.89 -0.21 0.00 0.00 0.00 0.00 61.98 60.07 2qba s VAL 53 Cb -0.06 -2.88 -0.12 0.00 0.00 0.00 0.00 36.38 33.32 2qba s VAL 53 CO 0.83 -0.13 0.96 -0.33 0.00 0.00 0.00 175.10 176.44 2qba h GLU 54 N 1.69 -0.74 -4.42 2.72 4.39 -1.88 -3.41 114.58 112.94 2qba h GLU 54 Ca -0.43 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.32 2qba h GLU 54 Cb 1.25 0.17 -0.05 0.00 -0.10 0.00 0.00 28.75 30.02 2qba h GLU 54 CO 0.69 -0.49 -0.93 0.28 -1.16 0.00 0.00 179.01 177.39 2qba n VAL 55 N -4.93 -9.52 -0.02 3.13 0.31 -1.26 -4.73 118.33 101.31 2qba n VAL 55 Ca -0.10 1.66 -0.13 0.00 -0.01 0.00 0.00 64.34 65.77 2qba n VAL 55 Cb 0.30 -5.82 -0.10 0.00 -0.91 0.00 0.00 33.84 27.32 2qba n VAL 55 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2qba h GLU 56 N 2.52 -0.01 0.00 5.55 4.81 -0.55 -3.43 114.58 123.48 2qba h GLU 56 Ca -0.23 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 2qba h GLU 56 Cb 0.51 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.89 2qba h GLU 56 CO 0.03 0.54 0.00 1.55 -0.73 0.00 0.00 179.01 180.41 2qba n VAL 57 N -4.83 0.00 0.00 0.32 3.14 -1.17 -4.99 118.33 110.80 2qba n VAL 57 Ca -0.09 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.29 2qba n VAL 57 Cb 0.28 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.06 2qba n VAL 57 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 2qba n VAL 58 N 0.00 0.00 -3.81 1.55 3.14 -1.17 -4.44 118.33 113.60 2qba n VAL 58 Ca 0.00 0.00 -0.37 0.00 -2.96 0.00 0.00 64.34 61.01 2qba n VAL 58 Cb 0.00 0.00 -0.13 0.00 -1.06 0.00 0.00 33.84 32.65 2qba n VAL 58 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 2qba s ASN 59 N 0.00 5.03 0.47 6.55 0.01 -0.21 -4.95 114.94 121.83 2qba s ASN 59 Ca 0.00 -0.97 0.05 0.00 -0.71 0.00 0.00 52.86 51.23 2qba s ASN 59 Cb 0.00 -1.82 0.02 0.00 0.41 0.00 0.00 41.25 39.86 2qba s ASN 59 CO 0.00 -0.24 0.64 0.42 -1.51 0.00 0.00 177.10 176.42 2qba s THR 60 N 1.40 2.92 -0.30 1.60 -4.23 -1.25 -4.00 115.64 111.78 2qba s THR 60 Ca -0.00 -0.87 -0.16 0.00 -1.18 0.00 0.00 61.69 59.47 2qba s THR 60 Cb -0.18 -3.02 0.20 0.00 1.34 0.00 0.00 72.50 70.84 2qba s THR 60 CO 0.01 -0.01 1.21 -1.48 -0.54 0.00 0.00 174.62 173.81 2qba s LEU 61 N -4.50 -0.15 0.92 4.79 0.05 -1.22 -4.90 118.68 113.67 2qba s LEU 61 Ca 0.56 0.24 -0.12 0.00 0.05 0.00 0.00 54.13 54.85 2qba s LEU 61 Cb -0.10 1.22 0.14 0.00 -2.05 0.00 0.00 46.19 45.40 2qba s LEU 61 CO 0.35 -0.04 1.13 -0.69 -0.55 0.00 0.00 176.35 176.55 2qba s VAL 62 N 1.20 2.01 -0.07 1.48 1.01 -1.26 -1.12 120.40 123.64 2qba s VAL 62 Ca -0.08 0.00 -0.02 0.00 0.00 0.00 0.00 61.98 61.89 2qba s VAL 62 Cb -0.02 -2.72 0.03 0.00 0.00 0.00 0.00 36.38 33.67 2qba s VAL 62 CO -0.11 -0.00 0.01 -0.69 0.00 0.00 0.00 175.10 174.31 2qba s VAL 63 N -3.24 0.31 0.47 2.92 1.01 0.86 -4.89 120.40 117.84 2qba s VAL 63 Ca 0.64 0.13 0.33 0.00 0.00 0.00 0.00 61.98 63.08 2qba s VAL 63 Cb -0.15 -0.51 0.53 0.00 0.00 0.00 0.00 36.38 36.25 2qba s VAL 63 CO 0.54 0.22 1.67 0.11 0.00 0.00 0.00 175.10 177.64 2qba h LYS 64 N 8.34 0.10 -3.75 2.72 6.56 -1.90 -3.12 116.57 125.53 2qba h LYS 64 Ca -0.18 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.40 2qba h LYS 64 Cb 1.12 -0.02 -0.02 0.00 -0.57 0.00 0.00 32.23 32.74 2qba h LYS 64 CO 0.25 0.07 -0.68 0.41 -2.06 0.00 0.00 179.45 177.44 2qba n GLY 65 N -1.63 -4.55 3.41 3.86 0.00 -1.26 -4.48 105.19 100.54 2qba n GLY 65 Ca 0.34 0.11 -0.35 0.00 0.00 0.00 0.00 46.02 46.12 2qba n GLY 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qba n LYS 66 N 1.07 0.05 -4.01 1.61 5.02 -1.26 -4.36 118.16 116.28 2qba n LYS 66 Ca -0.07 0.06 -0.16 0.00 -2.02 0.00 0.00 58.31 56.13 2qba n LYS 66 Cb 0.10 -1.77 -0.15 0.00 -0.02 0.00 0.00 35.03 33.19 2qba n LYS 66 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qba s VAL 67 N -2.10 0.24 -0.14 -0.18 0.11 -1.26 -1.58 120.40 115.49 2qba s VAL 67 Ca 0.60 -0.05 -0.34 0.00 -2.93 0.00 0.00 61.98 59.26 2qba s VAL 67 Cb -0.29 -0.26 0.15 0.00 -1.53 0.00 0.00 36.38 34.45 2qba s VAL 67 CO 0.63 0.11 1.39 -1.59 -3.33 0.00 0.00 175.10 172.31 2qba s LYS 68 N 0.39 0.09 0.00 1.54 0.00 -0.04 -4.97 119.74 116.75 2qba s LYS 68 Ca -0.04 -0.05 0.00 0.00 0.00 0.00 0.00 55.97 55.89 2qba s LYS 68 Cb -0.07 0.03 0.00 0.00 0.00 0.00 0.00 37.83 37.80 2qba s LYS 68 CO -0.01 -0.04 0.00 -2.13 0.00 0.00 0.00 175.35 173.17 2qba n ARG 69 N -0.36 0.00 -2.19 1.78 3.00 -1.26 -3.08 116.66 114.55 2qba n ARG 69 Ca -0.05 0.00 -0.29 0.00 -0.00 0.00 0.00 57.85 57.50 2qba n ARG 69 Cb 0.62 0.00 0.01 0.00 0.00 0.00 0.00 32.46 33.09 2qba n ARG 69 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.63 174.25 2qba s HIS 70 N -2.00 3.57 0.00 -0.14 -3.43 -1.26 -4.74 115.29 107.29 2qba s HIS 70 Ca 0.00 1.06 0.00 0.00 -0.80 0.00 0.00 55.06 55.32 2qba s HIS 70 Cb 0.00 -2.59 0.00 0.00 -1.43 0.00 0.00 32.58 28.56 2qba s HIS 70 CO 0.00 -0.57 0.00 0.41 -2.00 0.00 0.00 174.74 172.58 2qba n GLY 71 N -2.57 -1.52 0.00 -1.38 0.00 -1.26 -3.86 105.19 94.60 2qba n GLY 71 Ca 0.04 -1.28 0.11 0.00 0.00 0.00 0.00 46.02 44.90 2qba n GLY 71 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2qba n GLN 72 N -0.35 0.53 -4.28 1.61 6.02 -1.26 -4.73 117.38 114.92 2qba n GLN 72 Ca 0.00 0.04 -0.25 0.00 -0.01 0.00 0.00 57.00 56.78 2qba n GLN 72 Cb 0.00 -1.50 -0.08 0.00 1.02 0.00 0.00 30.24 29.68 2qba n GLN 72 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2qba s ARG 73 N -2.28 2.24 0.34 -1.09 1.81 -1.25 -5.15 118.95 113.57 2qba s ARG 73 Ca 0.29 -1.34 0.05 0.00 -1.72 0.00 0.00 55.73 53.01 2qba s ARG 73 Cb 0.16 -2.18 -0.02 0.00 -0.45 0.00 0.00 34.95 32.45 2qba s ARG 73 CO 0.31 0.40 0.17 1.51 -0.68 0.00 0.00 175.30 177.00 2qba n ILE 74 N -0.53 0.00 -3.64 1.52 0.13 -1.26 -4.15 119.36 111.43 2qba n ILE 74 Ca -0.08 -2.10 -0.05 0.00 -1.10 0.00 0.00 62.75 59.41 2qba n ILE 74 Cb 0.57 0.85 -0.07 0.00 -0.84 0.00 0.00 39.64 40.16 2qba n ILE 74 CO 0.00 0.00 0.00 -0.83 2.80 0.00 0.00 176.55 178.52 2qba s GLY 75 N -3.15 -0.38 0.15 4.50 0.00 -1.18 -4.91 107.32 102.34 2qba s GLY 75 Ca 0.24 2.71 0.06 0.00 0.00 0.00 0.00 44.72 47.72 2qba s GLY 75 CO 0.17 2.48 0.05 -1.60 0.00 0.00 0.00 173.10 174.20 2qba s ARG 76 N 1.51 2.64 0.00 2.90 3.52 -1.26 -0.86 118.95 127.40 2qba s ARG 76 Ca -0.10 -0.94 0.00 0.00 -0.13 0.00 0.00 55.73 54.56 2qba s ARG 76 Cb -0.04 -2.52 0.00 0.00 -1.56 0.00 0.00 34.95 30.83 2qba s ARG 76 CO -0.18 0.49 0.00 0.54 -0.81 0.00 0.00 175.30 175.34 2qba n ARG 77 N -0.04 1.89 -4.43 5.12 1.74 -0.61 -4.99 116.66 115.35 2qba n ARG 77 Ca -0.09 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.74 2qba n ARG 77 Cb 0.54 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.87 2qba n ARG 77 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2qba s SER 78 N -1.00 3.34 0.20 0.55 0.01 -1.26 -4.96 113.70 110.57 2qba s SER 78 Ca 0.00 -0.95 -0.12 0.00 1.31 0.00 0.00 55.95 56.19 2qba s SER 78 Cb 0.00 -0.25 -0.07 0.00 0.21 0.00 0.00 66.02 65.91 2qba s SER 78 CO 0.00 0.04 0.56 -1.81 0.41 0.00 0.00 173.24 172.44 2qba s ASP 79 N -3.10 6.72 0.03 2.44 1.01 -1.26 -4.14 116.67 118.37 2qba s ASP 79 Ca 0.24 1.01 -0.13 0.00 0.71 0.00 0.00 52.55 54.38 2qba s ASP 79 Cb -0.06 -2.26 0.02 0.00 1.01 0.00 0.00 42.92 41.63 2qba s ASP 79 CO 0.11 -0.00 0.28 -1.66 0.21 0.00 0.00 175.17 174.11 2qba s TRP 80 N -1.67 -0.09 0.73 4.23 1.48 -1.18 -4.91 118.94 117.53 2qba s TRP 80 Ca 0.43 -0.01 -0.07 0.00 -1.06 0.00 0.00 56.10 55.40 2qba s TRP 80 Cb -0.13 0.07 0.08 0.00 -1.16 0.00 0.00 33.47 32.33 2qba s TRP 80 CO 0.20 -0.45 1.04 0.21 -4.06 0.00 0.00 176.95 173.89 2qba s LYS 81 N -2.21 2.04 0.01 3.25 2.20 -1.02 -0.10 119.74 123.92 2qba s LYS 81 Ca -0.07 -0.31 0.04 0.00 -0.36 0.00 0.00 55.97 55.27 2qba s LYS 81 Cb -0.02 -2.15 -0.01 0.00 -1.51 0.00 0.00 37.83 34.13 2qba s LYS 81 CO -0.01 -1.35 -0.12 0.21 -0.36 0.00 0.00 175.35 173.71 2qba s LYS 82 N -5.30 0.92 0.00 4.03 2.20 -0.27 -3.80 119.74 117.53 2qba s LYS 82 Ca 0.62 -0.56 0.00 0.00 -0.36 0.00 0.00 55.97 55.67 2qba s LYS 82 Cb -0.10 -0.90 0.00 0.00 -1.51 0.00 0.00 37.83 35.32 2qba s LYS 82 CO 0.45 0.24 0.07 0.00 -0.36 0.00 0.00 175.35 175.75 2qba n ALA 83 N 2.40 0.00 -3.26 3.13 0.00 -0.20 -3.43 120.51 119.15 2qba n ALA 83 Ca -0.16 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.13 2qba n ALA 83 Cb 0.55 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.07 2qba n ALA 83 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2qba n TYR 84 N -0.24 -2.47 0.12 0.00 4.02 -0.99 -3.31 117.16 114.29 2qba n TYR 84 Ca 0.00 0.86 -0.12 0.00 -0.01 0.00 0.00 57.90 58.62 2qba n TYR 84 Cb 0.00 -4.09 -0.08 0.00 -0.02 0.00 0.00 39.34 35.15 2qba n TYR 84 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 2qba h VAL 85 N -1.03 0.74 -3.56 -0.72 2.07 -0.04 -0.55 116.25 113.15 2qba h VAL 85 Ca -0.58 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.18 2qba h VAL 85 Cb 1.29 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 32.19 2qba h VAL 85 CO 0.43 0.15 -0.65 0.35 0.02 0.00 0.00 177.57 177.87 2qba n THR 86 N -5.06 -9.71 -4.47 2.57 -2.24 -1.26 -3.03 114.28 91.09 2qba n THR 86 Ca -0.09 2.20 -0.32 0.00 -2.27 0.00 0.00 64.05 63.56 2qba n THR 86 Cb 0.26 -4.79 -0.10 0.00 -2.10 0.00 0.00 70.33 63.60 2qba n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2qba s LEU 87 N -0.38 3.21 0.00 3.22 1.43 -1.26 0.11 118.68 125.00 2qba s LEU 87 Ca 0.00 -0.11 0.00 0.00 -1.03 0.00 0.00 54.13 52.99 2qba s LEU 87 Cb 0.00 -1.81 0.00 0.00 0.03 0.00 0.00 46.19 44.41 2qba s LEU 87 CO 0.00 0.30 0.00 0.29 0.23 0.00 0.00 176.35 177.17 2qba n LYS 88 N 1.66 0.00 0.00 1.70 4.76 -1.26 -4.57 118.16 120.45 2qba n LYS 88 Ca -0.16 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.28 2qba n LYS 88 Cb 0.53 -0.37 0.00 0.00 -1.84 0.00 0.00 35.03 33.35 2qba n LYS 88 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2qba n GLU 89 N 0.00 -0.51 0.00 1.97 -0.58 -1.26 -4.65 120.64 115.61 2qba n GLU 89 Ca 0.00 -0.35 0.06 0.00 -0.42 0.00 0.00 57.16 56.44 2qba n GLU 89 Cb 0.00 -0.85 0.31 0.00 -0.57 0.00 0.00 31.44 30.33 2qba n GLU 89 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qba n GLY 90 N 0.03 -0.66 3.57 0.62 0.00 -1.26 -4.55 105.19 102.93 2qba n GLY 90 Ca 0.00 -0.06 -0.15 0.00 0.00 0.00 0.00 46.02 45.81 2qba n GLY 90 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qba s GLN 91 N -2.54 1.50 -0.01 1.61 -0.21 -1.26 -4.34 119.66 114.41 2qba s GLN 91 Ca 0.12 0.02 0.00 0.00 0.02 0.00 0.00 55.36 55.52 2qba s GLN 91 Cb 0.08 -4.89 -0.01 0.00 1.00 0.00 0.00 33.01 29.19 2qba s GLN 91 CO 0.18 -4.82 -0.01 0.09 -2.12 0.00 0.00 175.29 168.62 2qba n ASN 92 N 18.74 4.06 -0.38 5.90 5.03 -1.26 -5.16 115.26 142.18 2qba n ASN 92 Ca 0.44 -0.00 0.05 0.00 0.87 0.00 0.00 54.58 55.94 2qba n ASN 92 Cb 0.45 0.06 0.04 0.00 -1.02 0.00 0.00 39.78 39.31 2qba n ASN 92 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61