#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ajp s ARG 6 N 0.00 2.92 -0.05 1.43 0.52 -1.26 -2.00 118.95 120.51 2ajp s ARG 6 Ca 0.00 -0.45 0.01 0.00 -0.52 0.00 0.00 55.73 54.78 2ajp s ARG 6 Cb 0.00 -2.75 0.02 0.00 0.52 0.00 0.00 34.95 32.74 2ajp s ARG 6 CO 0.00 0.69 -0.07 0.08 0.02 0.00 0.00 175.30 176.02 2ajp s VAL 7 N -0.89 0.77 -0.34 3.52 1.01 -0.64 -1.03 120.40 122.80 2ajp s VAL 7 Ca 0.14 -0.26 -0.09 0.00 0.00 0.00 0.00 61.98 61.76 2ajp s VAL 7 Cb -0.11 -0.75 0.02 0.00 0.00 0.00 0.00 36.38 35.54 2ajp s VAL 7 CO 0.03 0.28 0.16 -0.22 0.00 0.00 0.00 175.10 175.34 2ajp s LEU 8 N 0.83 4.37 -0.23 3.92 2.96 -0.40 0.40 118.68 130.53 2ajp s LEU 8 Ca -0.12 -0.86 -0.04 0.00 -0.22 0.00 0.00 54.13 52.88 2ajp s LEU 8 Cb -0.15 -1.97 -0.01 0.00 0.50 0.00 0.00 46.19 44.56 2ajp s LEU 8 CO 0.01 -0.30 -0.02 -0.55 -1.32 0.00 0.00 176.35 174.17 2ajp s SER 9 N 1.53 4.45 -0.43 3.68 0.15 0.30 -0.47 113.70 122.91 2ajp s SER 9 Ca 0.02 -0.42 0.02 0.00 0.70 0.00 0.00 55.95 56.27 2ajp s SER 9 Cb -0.18 -1.76 0.12 0.00 -1.71 0.00 0.00 66.02 62.48 2ajp s SER 9 CO 0.05 -0.04 0.18 -0.63 1.20 0.00 0.00 173.24 174.00 2ajp s ILE 10 N 1.49 2.73 0.38 6.45 1.01 -0.35 -0.70 121.20 132.21 2ajp s ILE 10 Ca 0.05 -2.59 -0.12 0.00 0.00 0.00 0.00 60.65 57.99 2ajp s ILE 10 Cb -0.15 -2.92 0.05 0.00 0.01 0.00 0.00 42.46 39.45 2ajp s ILE 10 CO -0.02 -0.70 0.72 0.00 0.00 0.00 0.00 174.94 174.94 2ajp n GLN 11 N 3.97 1.04 -1.11 2.79 6.02 -0.92 -3.65 117.38 125.51 2ajp n GLN 11 Ca 0.03 -2.31 -0.30 0.00 -0.01 0.00 0.00 57.00 54.41 2ajp n GLN 11 Cb 0.39 2.73 0.13 0.00 1.02 0.00 0.00 30.24 34.50 2ajp n GLN 11 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2ajp s SER 12 N -3.06 3.75 0.00 1.08 1.04 -1.26 -0.94 113.70 114.31 2ajp s SER 12 Ca 0.18 1.77 0.03 0.00 0.48 0.00 0.00 55.95 58.41 2ajp s SER 12 Cb -0.04 -2.41 -0.01 0.00 0.10 0.00 0.00 66.02 63.66 2ajp s SER 12 CO 0.13 -2.51 -0.11 -2.28 0.98 0.00 0.00 173.24 169.46 2ajp s HIS 13 N -2.85 0.98 0.13 5.02 2.46 -0.41 -0.63 115.29 119.98 2ajp s HIS 13 Ca 0.63 -0.23 0.06 0.00 0.47 0.00 0.00 55.06 55.99 2ajp s HIS 13 Cb -0.19 -0.62 -0.04 0.00 -0.13 0.00 0.00 32.58 31.61 2ajp s HIS 13 CO 0.57 -0.01 -0.14 0.14 -2.47 0.00 0.00 174.74 172.83 2ajp s VAL 14 N -0.43 1.34 -0.09 0.89 -7.23 -1.26 -1.45 120.40 112.16 2ajp s VAL 14 Ca 0.03 -1.74 -0.02 0.00 -1.81 0.00 0.00 61.98 58.43 2ajp s VAL 14 Cb -0.05 -1.56 -0.01 0.00 0.56 0.00 0.00 36.38 35.32 2ajp s VAL 14 CO -0.00 -0.43 -0.04 0.40 -0.31 0.00 0.00 175.10 174.72 2ajp h ILE 15 N 3.46 0.00 -3.36 -0.62 2.04 -1.11 -3.43 117.51 114.50 2ajp h ILE 15 Ca -0.40 -0.83 -0.57 0.00 1.00 0.00 0.00 64.86 64.06 2ajp h ILE 15 Cb 1.20 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 37.20 2ajp h ILE 15 CO 0.51 0.00 0.00 -0.60 0.00 0.00 0.00 178.15 178.07 2ajp s ARG 16 N -1.62 4.35 0.00 2.37 6.06 -0.57 -5.00 118.95 124.54 2ajp s ARG 16 Ca -0.03 0.65 0.00 0.00 -2.50 0.00 0.00 55.73 53.84 2ajp s ARG 16 Cb 0.00 -3.47 0.00 0.00 0.06 0.00 0.00 34.95 31.54 2ajp s ARG 16 CO 0.05 0.03 0.00 0.41 -2.50 0.00 0.00 175.30 173.29 2ajp n GLY 17 N 3.33 0.78 2.51 8.12 0.00 -1.26 -4.37 105.19 114.31 2ajp n GLY 17 Ca -0.04 -2.27 -0.28 0.00 0.00 0.00 0.00 46.02 43.43 2ajp n GLY 17 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ajp s TYR 18 N -1.02 1.30 0.05 1.61 1.51 -1.26 -4.85 117.35 114.69 2ajp s TYR 18 Ca 0.00 -2.16 -0.01 0.00 -1.01 0.00 0.00 57.07 53.88 2ajp s TYR 18 Cb 0.00 -1.23 -0.03 0.00 -0.11 0.00 0.00 41.96 40.59 2ajp s TYR 18 CO 0.00 -0.80 -0.01 0.54 -1.11 0.00 0.00 175.55 174.17 2ajp s VAL 19 N 0.37 0.19 0.00 0.71 0.11 -1.26 -4.17 120.40 116.35 2ajp s VAL 19 Ca 0.24 -1.59 0.00 0.00 -2.93 0.00 0.00 61.98 57.70 2ajp s VAL 19 Cb -0.12 -1.26 0.00 0.00 -1.53 0.00 0.00 36.38 33.48 2ajp s VAL 19 CO -0.08 -0.88 0.00 0.61 -3.33 0.00 0.00 175.10 171.42 2ajp n GLY 20 N 0.40 3.07 0.23 6.54 0.00 -1.26 -1.81 105.19 112.36 2ajp n GLY 20 Ca -0.16 0.10 0.07 0.00 0.00 0.00 0.00 46.02 46.03 2ajp n GLY 20 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2ajp h ASN 21 N 0.00 0.00 -0.54 1.61 2.35 -1.10 -1.08 115.58 116.82 2ajp h ASN 21 Ca 0.00 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.77 2ajp h ASN 21 Cb 0.00 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 2ajp h ASN 21 CO 0.00 0.17 0.34 0.03 -1.65 0.00 0.00 177.43 176.32 2ajp h ARG 22 N 0.00 0.67 0.00 0.81 2.47 -1.52 0.35 114.38 117.15 2ajp h ARG 22 Ca -0.00 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 58.66 2ajp h ARG 22 Cb 0.33 -0.15 -0.00 0.00 -1.65 0.00 0.00 29.97 28.50 2ajp h ARG 22 CO 0.02 0.44 -0.07 0.00 0.56 0.00 0.00 179.97 180.92 2ajp h ALA 23 N 1.22 0.97 0.00 0.04 0.00 -1.23 -3.37 119.26 116.90 2ajp h ALA 23 Ca 0.21 -0.06 -0.32 0.00 0.00 0.00 0.00 54.91 54.74 2ajp h ALA 23 Cb -0.03 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.69 2ajp h ALA 23 CO -0.07 0.09 -2.19 0.00 0.00 0.00 0.00 179.25 177.08 2ajp n ALA 24 N -2.12 1.57 -0.13 0.00 0.00 -0.69 -4.55 120.51 114.58 2ajp n ALA 24 Ca 0.02 -1.13 0.00 0.00 0.00 0.00 0.00 53.44 52.33 2ajp n ALA 24 Cb 0.46 -0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.80 2ajp n ALA 24 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2ajp n THR 25 N -2.68 0.00 -0.28 0.00 -1.04 0.09 -2.59 114.28 107.79 2ajp n THR 25 Ca -0.29 1.13 -0.01 0.00 -2.04 0.00 0.00 64.05 62.84 2ajp n THR 25 Cb 1.05 -2.09 0.05 0.00 -1.82 0.00 0.00 70.33 67.53 2ajp n THR 25 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 2ajp h PHE 26 N 0.00 -0.77 -0.74 -1.42 3.57 -1.80 0.25 116.94 116.03 2ajp h PHE 26 Ca 0.00 0.08 0.02 0.00 3.53 0.00 0.00 57.97 61.60 2ajp h PHE 26 Cb 0.00 0.45 -0.04 0.00 2.79 0.00 0.00 35.95 39.15 2ajp h PHE 26 CO 0.14 -0.38 0.48 -1.35 -2.23 0.00 0.00 178.31 174.98 2ajp h PRO 27 N -0.06 0.94 -0.09 6.41 0.11 -1.81 0.19 132.00 137.69 2ajp h PRO 27 Ca 0.32 -0.06 -0.14 0.00 0.11 0.00 0.00 66.00 66.24 2ajp h PRO 27 Cb 0.58 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.47 2ajp h PRO 27 CO -0.82 0.62 -0.55 -0.07 -0.21 0.00 0.00 178.00 176.97 2ajp h LEU 28 N 0.97 0.29 0.17 2.35 3.38 -1.00 -2.27 115.31 119.20 2ajp h LEU 28 Ca 0.28 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 2ajp h LEU 28 Cb -0.06 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.61 2ajp h LEU 28 CO -0.08 0.78 -0.08 1.56 0.09 0.00 0.00 178.44 180.71 2ajp h GLN 29 N 0.20 -0.22 -0.97 1.13 4.20 0.38 -1.29 115.11 118.55 2ajp h GLN 29 Ca 0.00 0.02 0.29 0.00 0.06 0.00 0.00 58.65 59.02 2ajp h GLN 29 Cb 1.03 0.05 -0.15 0.00 0.30 0.00 0.00 27.48 28.71 2ajp h GLN 29 CO 0.09 -0.07 0.46 0.28 -0.67 0.00 0.00 178.83 178.92 2ajp h VAL 30 N -0.33 0.32 -0.10 -0.54 2.07 -0.58 -0.36 116.25 116.73 2ajp h VAL 30 Ca -0.02 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.39 2ajp h VAL 30 Cb 0.26 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.01 2ajp h VAL 30 CO 0.04 0.06 0.00 0.18 0.02 0.00 0.00 177.57 177.86 2ajp n LEU 31 N -5.10 0.77 0.00 2.57 4.77 -0.86 -4.90 117.00 114.25 2ajp n LEU 31 Ca 0.28 -0.35 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 2ajp n LEU 31 Cb 0.88 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.90 2ajp n LEU 31 CO 0.09 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 2ajp n GLY 32 N 0.87 0.76 3.79 -0.72 0.00 -0.14 -5.06 105.19 104.68 2ajp n GLY 32 Ca 0.11 -0.10 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 2ajp n GLY 32 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ajp s PHE 33 N -2.00 3.83 -1.15 1.61 0.40 -0.51 -4.53 117.98 115.63 2ajp s PHE 33 Ca 0.00 1.40 -0.17 0.00 -0.60 0.00 0.00 56.93 57.56 2ajp s PHE 33 Cb 0.00 -2.62 0.12 0.00 0.51 0.00 0.00 43.02 41.03 2ajp s PHE 33 CO 0.00 0.52 1.45 -2.00 0.70 0.00 0.00 175.22 175.90 2ajp s GLU 34 N -0.97 3.90 -0.14 0.44 2.56 -0.85 -4.26 118.70 119.38 2ajp s GLU 34 Ca 0.32 -2.07 -0.14 0.00 0.00 0.00 0.00 54.97 53.09 2ajp s GLU 34 Cb -0.21 -5.20 -0.05 0.00 2.00 0.00 0.00 34.13 30.68 2ajp s GLU 34 CO 0.21 -1.96 0.30 -1.50 -0.56 0.00 0.00 175.26 171.76 2ajp s ILE 35 N 2.95 5.29 -0.17 -3.70 2.07 -1.26 -1.62 121.20 124.76 2ajp s ILE 35 Ca 0.44 0.56 -0.04 0.00 -1.41 0.00 0.00 60.65 60.21 2ajp s ILE 35 Cb -0.01 -3.63 -0.02 0.00 0.13 0.00 0.00 42.46 38.93 2ajp s ILE 35 CO -0.01 0.42 -0.04 -1.81 -1.91 0.00 0.00 174.94 171.59 2ajp s ASP 36 N 0.25 4.65 -0.28 4.50 1.01 0.16 -4.95 116.67 122.01 2ajp s ASP 36 Ca 0.17 -0.21 -0.09 0.00 0.71 0.00 0.00 52.55 53.14 2ajp s ASP 36 Cb -0.13 -1.77 -0.02 0.00 1.01 0.00 0.00 42.92 42.01 2ajp s ASP 36 CO 0.05 0.12 0.12 0.00 0.21 0.00 0.00 175.17 175.66 2ajp s ALA 37 N 0.68 3.25 -0.34 5.23 0.00 -1.26 -0.54 121.76 128.77 2ajp s ALA 37 Ca -0.02 -1.24 -0.14 0.00 0.00 0.00 0.00 51.96 50.55 2ajp s ALA 37 Cb -0.14 -2.25 -0.01 0.00 0.00 0.00 0.00 23.12 20.71 2ajp s ALA 37 CO 0.02 -0.68 0.30 0.08 0.00 0.00 0.00 175.76 175.48 2ajp s VAL 38 N 1.63 5.23 -0.54 0.00 1.01 0.13 -4.98 120.40 122.88 2ajp s VAL 38 Ca 0.06 -0.09 -0.25 0.00 0.00 0.00 0.00 61.98 61.69 2ajp s VAL 38 Cb -0.16 -3.77 0.04 0.00 0.00 0.00 0.00 36.38 32.48 2ajp s VAL 38 CO 0.06 -0.06 0.98 0.20 0.00 0.00 0.00 175.10 176.28 2ajp s ASN 39 N 1.73 6.40 0.19 3.32 0.01 -1.26 -2.17 114.94 123.15 2ajp s ASN 39 Ca 0.09 -0.16 0.24 0.00 -0.71 0.00 0.00 52.86 52.32 2ajp s ASN 39 Cb -0.17 -2.46 0.91 0.00 0.41 0.00 0.00 41.25 39.94 2ajp s ASN 39 CO 0.11 -1.23 1.73 -1.54 -1.51 0.00 0.00 177.10 174.66 2ajp n SER 40 N 7.57 0.58 -3.44 -1.22 3.41 -0.12 -4.71 113.62 115.70 2ajp n SER 40 Ca 0.04 0.60 -0.12 0.00 -0.26 0.00 0.00 58.87 59.13 2ajp n SER 40 Cb 0.48 -0.74 -0.02 0.00 -0.26 0.00 0.00 64.21 63.67 2ajp n SER 40 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2ajp s VAL 41 N -3.17 0.00 -0.27 -3.33 -7.23 -1.26 -1.88 120.40 103.26 2ajp s VAL 41 Ca 0.08 -0.04 -0.01 0.00 -1.81 0.00 0.00 61.98 60.19 2ajp s VAL 41 Cb 0.11 -1.01 0.09 0.00 0.56 0.00 0.00 36.38 36.13 2ajp s VAL 41 CO 0.46 -0.02 0.07 -1.58 -0.31 0.00 0.00 175.10 173.72 2ajp s GLN 42 N -3.71 0.77 0.31 4.82 0.74 -0.22 -1.29 119.66 121.08 2ajp s GLN 42 Ca 0.01 -0.88 0.08 0.00 0.05 0.00 0.00 55.36 54.63 2ajp s GLN 42 Cb -0.01 -2.06 -0.04 0.00 1.10 0.00 0.00 33.01 32.00 2ajp s GLN 42 CO -0.13 -0.86 0.11 -0.06 -0.55 0.00 0.00 175.29 173.81 2ajp s PHE 43 N 1.67 2.76 0.26 1.67 2.99 -0.53 -1.99 117.98 124.82 2ajp s PHE 43 Ca 0.05 -0.30 -0.01 0.00 0.00 0.00 0.00 56.93 56.68 2ajp s PHE 43 Cb -0.17 -1.48 0.35 0.00 0.00 0.00 0.00 43.02 41.72 2ajp s PHE 43 CO -0.19 0.44 1.75 0.66 -0.00 0.00 0.00 175.22 177.88 2ajp h SER 44 N 1.63 0.71 -5.31 1.36 4.64 -0.86 -1.41 113.55 114.32 2ajp h SER 44 Ca -0.44 -0.18 0.16 0.00 -0.47 0.00 0.00 61.79 60.85 2ajp h SER 44 Cb 1.25 -0.19 -0.06 0.00 -0.31 0.00 0.00 62.40 63.09 2ajp h SER 44 CO 0.62 0.81 0.48 0.54 -0.87 0.00 0.00 176.83 178.40 2ajp s ASN 45 N -6.68 -0.13 0.99 4.97 4.22 -1.26 -1.51 114.94 115.53 2ajp s ASN 45 Ca -0.09 -0.52 -0.12 0.00 -2.14 0.00 0.00 52.86 49.99 2ajp s ASN 45 Cb 0.14 0.53 0.18 0.00 1.28 0.00 0.00 41.25 43.38 2ajp s ASN 45 CO 0.81 -1.00 1.08 -1.38 -2.04 0.00 0.00 177.10 174.57 2ajp s HIS 46 N -3.05 1.98 -1.36 1.54 -3.43 -1.26 -4.81 115.29 104.90 2ajp s HIS 46 Ca 0.14 1.22 0.30 0.00 -0.80 0.00 0.00 55.06 55.91 2ajp s HIS 46 Cb -0.02 -3.19 1.39 0.00 -1.43 0.00 0.00 32.58 29.33 2ajp s HIS 46 CO 0.04 -2.90 1.98 0.25 -2.00 0.00 0.00 174.74 172.11 2ajp n THR 47 N -4.23 0.00 0.66 -5.38 -2.24 -1.26 -3.03 114.28 98.80 2ajp n THR 47 Ca 0.06 -0.01 0.09 0.00 -2.27 0.00 0.00 64.05 61.92 2ajp n THR 47 Cb 0.55 -0.41 0.41 0.00 -2.10 0.00 0.00 70.33 68.78 2ajp n THR 47 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ajp n GLY 48 N 1.34 -1.16 3.87 3.38 0.00 -1.26 -4.82 105.19 106.54 2ajp n GLY 48 Ca 0.13 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 2ajp n GLY 48 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ajp s TYR 49 N -3.00 3.28 0.28 1.61 2.02 -1.17 -4.91 117.35 115.46 2ajp s TYR 49 Ca 0.09 1.07 -0.03 0.00 -0.37 0.00 0.00 57.07 57.84 2ajp s TYR 49 Cb 0.13 -3.06 0.39 0.00 -0.40 0.00 0.00 41.96 39.01 2ajp s TYR 49 CO 0.35 -1.23 1.92 0.00 -1.57 0.00 0.00 175.55 175.02 2ajp h ALA 50 N -0.69 1.33 -2.73 3.71 0.00 -1.91 -3.43 119.26 115.53 2ajp h ALA 50 Ca -0.45 -0.10 -0.52 0.00 0.00 0.00 0.00 54.91 53.85 2ajp h ALA 50 Cb 1.25 -0.32 -0.17 0.00 0.00 0.00 0.00 17.79 18.55 2ajp h ALA 50 CO 0.63 0.57 -0.77 -1.01 0.00 0.00 0.00 179.25 178.67 2ajp s HIS 51 N -5.80 1.84 0.12 0.00 3.76 -1.26 -5.16 115.29 108.80 2ajp s HIS 51 Ca -0.11 -0.48 -0.15 0.00 -0.15 0.00 0.00 55.06 54.17 2ajp s HIS 51 Cb 0.17 -0.90 0.03 0.00 1.11 0.00 0.00 32.58 32.99 2ajp s HIS 51 CO 0.80 0.37 0.37 1.67 -0.85 0.00 0.00 174.74 177.10 2ajp s TRP 52 N -2.26 -0.12 -0.16 1.40 -2.14 -1.26 -4.88 118.94 109.52 2ajp s TRP 52 Ca 0.18 -0.22 -0.18 0.00 2.66 0.00 0.00 56.10 58.53 2ajp s TRP 52 Cb -0.05 0.20 0.05 0.00 -3.10 0.00 0.00 33.47 30.57 2ajp s TRP 52 CO 0.07 -0.69 0.50 0.15 -2.66 0.00 0.00 176.95 174.33 2ajp s LYS 53 N -3.82 0.64 0.00 3.25 3.01 -1.26 -5.00 119.74 116.55 2ajp s LYS 53 Ca 0.04 0.59 0.00 0.00 -1.01 0.00 0.00 55.97 55.59 2ajp s LYS 53 Cb 0.02 0.31 0.00 0.00 -1.01 0.00 0.00 37.83 37.15 2ajp s LYS 53 CO -0.11 -0.10 0.00 0.41 0.51 0.00 0.00 175.35 176.06 2ajp n GLY 54 N 2.51 -1.23 3.49 -3.33 0.00 -1.26 -0.13 105.19 105.24 2ajp n GLY 54 Ca -0.15 -1.09 -0.26 0.00 0.00 0.00 0.00 46.02 44.52 2ajp n GLY 54 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ajp s GLN 55 N -1.46 1.75 0.26 1.61 1.11 -0.84 -4.96 119.66 117.12 2ajp s GLN 55 Ca 0.00 -1.55 0.08 0.00 0.01 0.00 0.00 55.36 53.90 2ajp s GLN 55 Cb 0.00 -1.91 -0.04 0.00 -1.01 0.00 0.00 33.01 30.05 2ajp s GLN 55 CO 0.00 0.38 0.14 0.14 0.01 0.00 0.00 175.29 175.96 2ajp s VAL 56 N -2.02 4.11 -0.25 1.09 -7.23 -1.26 -1.05 120.40 113.79 2ajp s VAL 56 Ca 0.26 -1.56 -0.12 0.00 -1.81 0.00 0.00 61.98 58.75 2ajp s VAL 56 Cb -0.07 -3.23 -0.05 0.00 0.56 0.00 0.00 36.38 33.60 2ajp s VAL 56 CO 0.14 -0.35 0.23 -0.22 -0.31 0.00 0.00 175.10 174.58 2ajp s LEU 57 N -3.80 4.08 0.58 1.32 2.96 -0.79 -4.93 118.68 118.10 2ajp s LEU 57 Ca 0.33 0.15 -0.07 0.00 -0.22 0.00 0.00 54.13 54.31 2ajp s LEU 57 Cb -0.07 -2.20 -0.01 0.00 0.50 0.00 0.00 46.19 44.40 2ajp s LEU 57 CO 0.23 -0.02 0.91 0.54 -1.32 0.00 0.00 176.35 176.70 2ajp s ASN 58 N 1.34 5.90 0.45 3.68 2.20 -1.26 -4.90 114.94 122.35 2ajp s ASN 58 Ca 0.10 0.96 0.19 0.00 -0.94 0.00 0.00 52.86 53.17 2ajp s ASN 58 Cb -0.15 -2.04 1.08 0.00 -2.00 0.00 0.00 41.25 38.15 2ajp s ASN 58 CO 0.08 -0.91 1.97 0.77 -2.94 0.00 0.00 177.10 176.06 2ajp h SER 59 N -0.13 0.00 -0.55 3.54 4.64 -1.93 -1.67 113.55 117.46 2ajp h SER 59 Ca -0.46 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.82 2ajp h SER 59 Cb 1.23 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.29 2ajp h SER 59 CO 0.62 0.22 0.19 0.44 -0.87 0.00 0.00 176.83 177.42 2ajp h ASP 60 N 0.00 0.78 -0.39 4.97 3.32 -1.97 -1.52 116.42 121.62 2ajp h ASP 60 Ca -0.00 -0.19 -0.06 0.00 0.02 0.00 0.00 57.03 56.80 2ajp h ASP 60 Cb 0.45 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 2ajp h ASP 60 CO 0.03 0.77 0.06 -0.33 -1.72 0.00 0.00 179.24 178.04 2ajp h GLU 61 N 0.75 0.74 -0.50 3.56 5.08 -1.72 -0.56 114.58 121.93 2ajp h GLU 61 Ca 0.18 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 2ajp h GLU 61 Cb 0.25 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 2ajp h GLU 61 CO -0.01 0.71 0.21 1.25 -1.00 0.00 0.00 179.01 180.17 2ajp h LEU 62 N 0.70 0.68 -0.60 1.33 5.85 -1.11 -1.60 115.31 120.57 2ajp h LEU 62 Ca 0.15 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 2ajp h LEU 62 Cb 0.35 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 2ajp h LEU 62 CO 0.01 0.65 0.26 -0.61 -0.34 0.00 0.00 178.44 178.41 2ajp h GLN 63 N 0.67 0.88 -0.31 1.25 4.15 -1.07 -1.14 115.11 119.54 2ajp h GLN 63 Ca 0.17 -0.15 0.07 0.00 0.77 0.00 0.00 58.65 59.51 2ajp h GLN 63 Cb 0.18 -0.15 -0.08 0.00 0.21 0.00 0.00 27.48 27.64 2ajp h GLN 63 CO -0.02 0.74 -0.27 0.93 -1.93 0.00 0.00 178.83 178.28 2ajp h GLU 64 N 0.83 -0.24 -0.80 1.69 5.08 -0.59 0.12 114.58 120.66 2ajp h GLU 64 Ca 0.20 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.60 2ajp h GLU 64 Cb 0.17 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 2ajp h GLU 64 CO -0.02 -0.16 0.52 -0.07 -1.00 0.00 0.00 179.01 178.29 2ajp h LEU 65 N -0.24 0.89 -0.75 1.33 3.38 -1.06 -0.47 115.31 118.39 2ajp h LEU 65 Ca 0.16 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 2ajp h LEU 65 Cb 0.49 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 2ajp h LEU 65 CO -0.45 0.63 0.13 0.22 0.09 0.00 0.00 178.44 179.06 2ajp h TYR 66 N 1.05 1.14 -0.16 1.13 3.20 -0.60 -2.00 116.97 120.73 2ajp h TYR 66 Ca 0.31 -0.14 -0.00 0.00 3.14 0.00 0.00 58.73 62.03 2ajp h TYR 66 Cb -0.07 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 37.88 2ajp h TYR 66 CO -0.02 0.95 0.09 0.93 -1.64 0.00 0.00 178.16 178.47 2ajp h GLU 67 N 1.02 0.22 -0.89 1.82 5.08 -0.24 0.72 114.58 122.30 2ajp h GLU 67 Ca 0.21 -0.02 0.17 0.00 -1.00 0.00 0.00 59.36 58.72 2ajp h GLU 67 Cb 0.40 -0.04 -0.17 0.00 0.50 0.00 0.00 28.75 29.44 2ajp h GLU 67 CO 0.01 0.19 -0.24 0.78 -1.00 0.00 0.00 179.01 178.75 2ajp h GLY 68 N 0.18 0.57 1.20 -3.84 0.00 -0.91 0.44 103.07 100.71 2ajp h GLY 68 Ca 0.06 0.32 -0.13 0.00 0.00 0.00 0.00 47.33 47.58 2ajp h GLY 68 CO -0.01 -0.32 -0.23 1.41 0.00 0.00 0.00 176.54 177.38 2ajp h LEU 69 N -0.01 0.94 -0.00 3.11 3.38 -0.70 -3.15 115.31 118.89 2ajp h LEU 69 Ca 0.42 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 2ajp h LEU 69 Cb 0.65 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 2ajp h LEU 69 CO -0.92 1.13 -0.00 -0.09 0.09 0.00 0.00 178.44 178.65 2ajp h ARG 70 N 0.79 0.00 -1.10 1.13 2.43 0.88 0.27 114.38 118.78 2ajp h ARG 70 Ca 0.10 -0.00 0.31 0.00 -0.81 0.00 0.00 59.98 59.58 2ajp h ARG 70 Cb 0.79 -0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 30.23 2ajp h ARG 70 CO 0.07 0.41 0.70 -0.07 -1.51 0.00 0.00 179.97 179.57 2ajp h LEU 71 N -0.40 0.41 -0.87 3.80 3.38 -0.25 0.84 115.31 122.21 2ajp h LEU 71 Ca 0.00 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2ajp h LEU 71 Cb 0.41 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2ajp h LEU 71 CO 0.00 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.12 2ajp n ASN 72 N -4.69 1.34 -3.00 -0.43 3.02 -1.13 -4.93 115.26 105.44 2ajp n ASN 72 Ca 0.29 -1.51 -0.20 0.00 -0.03 0.00 0.00 54.58 53.12 2ajp n ASN 72 Cb 1.02 -0.03 0.06 0.00 -0.61 0.00 0.00 39.78 40.21 2ajp n ASN 72 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2ajp n ASN 73 N 0.07 -5.76 -0.05 6.41 5.15 0.29 -4.90 115.26 116.46 2ajp n ASN 73 Ca 0.18 -0.39 0.09 0.00 -0.60 0.00 0.00 54.58 53.86 2ajp n ASN 73 Cb 0.31 -4.46 -0.09 0.00 -0.53 0.00 0.00 39.78 35.01 2ajp n ASN 73 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 2ajp n MET 74 N -4.14 1.11 -0.29 1.20 2.81 0.92 -4.69 117.12 114.04 2ajp n MET 74 Ca -0.03 -0.11 -0.02 0.00 -1.81 0.00 0.00 57.70 55.73 2ajp n MET 74 Cb 0.57 -1.35 -0.03 0.00 -0.71 0.00 0.00 33.22 31.70 2ajp n MET 74 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 2ajp n ASN 75 N -1.26 2.18 -3.98 7.83 6.94 -1.18 -4.71 115.26 121.08 2ajp n ASN 75 Ca 0.04 -1.72 -0.31 0.00 -0.02 0.00 0.00 54.58 52.57 2ajp n ASN 75 Cb 0.29 -0.52 -0.15 0.00 -2.36 0.00 0.00 39.78 37.05 2ajp n ASN 75 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2ajp s LYS 76 N 1.60 1.67 0.16 -3.83 1.02 -1.26 -4.84 119.74 114.27 2ajp s LYS 76 Ca 0.12 -1.32 0.11 0.00 0.02 0.00 0.00 55.97 54.90 2ajp s LYS 76 Cb 0.06 -2.77 -0.04 0.00 -0.52 0.00 0.00 37.83 34.56 2ajp s LYS 76 CO 0.00 -0.71 -0.25 0.71 -0.92 0.00 0.00 175.35 174.18 2ajp s TYR 77 N 1.21 2.26 -0.10 3.18 1.51 -1.26 -4.94 117.35 119.21 2ajp s TYR 77 Ca -0.01 -0.37 0.15 0.00 -1.01 0.00 0.00 57.07 55.82 2ajp s TYR 77 Cb -0.19 -1.16 -0.11 0.00 -0.11 0.00 0.00 41.96 40.39 2ajp s TYR 77 CO -0.08 0.42 0.98 -0.44 -1.11 0.00 0.00 175.55 175.32 2ajp h ASP 78 N 3.49 0.00 -5.05 2.29 3.32 -1.46 -3.43 116.42 115.58 2ajp h ASP 78 Ca -0.48 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.44 2ajp h ASP 78 Cb 1.19 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.56 2ajp h ASP 78 CO 0.44 0.64 -0.49 -0.31 -1.72 0.00 0.00 179.24 177.81 2ajp s TYR 79 N -2.88 0.12 -0.02 4.55 1.51 -0.28 -1.67 117.35 118.69 2ajp s TYR 79 Ca -0.01 -0.35 0.06 0.00 -1.01 0.00 0.00 57.07 55.76 2ajp s TYR 79 Cb 0.08 -0.09 -0.01 0.00 -0.11 0.00 0.00 41.96 41.83 2ajp s TYR 79 CO 0.80 -0.35 -0.20 0.08 -1.11 0.00 0.00 175.55 174.77 2ajp s VAL 80 N -2.21 1.56 -0.14 0.71 1.01 -0.60 -1.27 120.40 119.46 2ajp s VAL 80 Ca -0.08 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.06 2ajp s VAL 80 Cb -0.03 -1.30 0.02 0.00 0.00 0.00 0.00 36.38 35.07 2ajp s VAL 80 CO -0.02 0.44 -0.12 -0.22 0.00 0.00 0.00 175.10 175.18 2ajp s LEU 81 N -0.45 1.53 0.19 3.92 2.96 0.38 0.53 118.68 127.74 2ajp s LEU 81 Ca 0.07 -0.44 0.09 0.00 -0.22 0.00 0.00 54.13 53.63 2ajp s LEU 81 Cb -0.08 -1.06 -0.04 0.00 0.50 0.00 0.00 46.19 45.51 2ajp s LEU 81 CO -0.01 -0.08 -0.18 0.42 -1.32 0.00 0.00 176.35 175.18 2ajp s THR 82 N 1.56 1.92 0.00 3.68 -4.23 -0.29 -1.21 115.64 117.07 2ajp s THR 82 Ca 0.05 -2.07 0.00 0.00 -1.18 0.00 0.00 61.69 58.49 2ajp s THR 82 Cb -0.13 -1.98 0.00 0.00 1.34 0.00 0.00 72.50 71.73 2ajp s THR 82 CO -0.10 -0.39 0.00 0.61 -0.54 0.00 0.00 174.62 174.20 2ajp n GLY 83 N -0.02 5.36 3.68 3.99 0.00 -1.24 -1.17 105.19 115.79 2ajp n GLY 83 Ca -0.11 -0.80 -0.48 0.00 0.00 0.00 0.00 46.02 44.63 2ajp n GLY 83 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2ajp n TYR 84 N 0.00 2.30 -3.87 1.61 9.36 -1.26 -4.66 117.16 120.63 2ajp n TYR 84 Ca 0.00 0.09 -0.14 0.00 3.32 0.00 0.00 57.90 61.17 2ajp n TYR 84 Cb 0.00 -2.62 -0.15 0.00 -0.63 0.00 0.00 39.34 35.94 2ajp n TYR 84 CO 0.00 0.00 0.00 -0.08 0.22 0.00 0.00 176.86 177.00 2ajp s THR 85 N 3.19 0.03 -0.12 2.97 -1.32 -1.26 -4.57 115.64 114.56 2ajp s THR 85 Ca 0.89 0.05 0.17 0.00 -1.21 0.00 0.00 61.69 61.59 2ajp s THR 85 Cb -0.70 -0.08 -0.21 0.00 -1.51 0.00 0.00 72.50 69.99 2ajp s THR 85 CO 0.48 0.05 0.52 -2.11 -2.21 0.00 0.00 174.62 171.35 2ajp n ARG 86 N 3.48 0.65 -3.98 7.08 0.00 -1.26 -4.94 116.66 117.69 2ajp n ARG 86 Ca -0.18 0.12 -0.35 0.00 -0.00 0.00 0.00 57.85 57.44 2ajp n ARG 86 Cb 0.56 -1.68 -0.11 0.00 -0.00 0.00 0.00 32.46 31.23 2ajp n ARG 86 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.63 177.79 2ajp s ASP 87 N -5.60 5.36 0.24 2.89 -4.77 -1.26 -4.61 116.67 108.91 2ajp s ASP 87 Ca -0.06 -0.04 -0.06 0.00 -3.30 0.00 0.00 52.55 49.09 2ajp s ASP 87 Cb 0.08 -1.93 0.33 0.00 -1.09 0.00 0.00 42.92 40.31 2ajp s ASP 87 CO 0.83 0.10 1.84 0.11 0.70 0.00 0.00 175.17 178.75 2ajp h LYS 88 N 7.23 0.87 0.04 2.11 1.57 -1.95 -0.22 116.57 126.22 2ajp h LYS 88 Ca -0.36 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.39 2ajp h LYS 88 Cb 1.17 -0.20 -0.04 0.00 0.08 0.00 0.00 32.23 33.25 2ajp h LYS 88 CO 0.65 0.57 -0.27 1.03 -0.57 0.00 0.00 179.45 180.86 2ajp h SER 89 N 0.89 -0.79 -0.45 0.86 0.87 -1.99 0.19 113.55 113.14 2ajp h SER 89 Ca 0.36 0.10 0.07 0.00 -1.23 0.00 0.00 61.79 61.09 2ajp h SER 89 Cb 0.20 0.31 -0.06 0.00 -0.44 0.00 0.00 62.40 62.42 2ajp h SER 89 CO -0.18 -0.34 0.12 0.15 -0.53 0.00 0.00 176.83 176.04 2ajp h PHE 90 N -0.44 0.20 -0.46 2.24 3.57 -1.86 -0.99 116.94 119.21 2ajp h PHE 90 Ca 0.05 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.59 2ajp h PHE 90 Cb 0.50 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.19 2ajp h PHE 90 CO -0.28 0.04 0.28 1.25 -2.23 0.00 0.00 178.31 177.37 2ajp h LEU 91 N 0.27 0.46 -0.78 0.59 5.85 -0.69 -0.25 115.31 120.76 2ajp h LEU 91 Ca 0.22 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.95 2ajp h LEU 91 Cb 0.25 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 2ajp h LEU 91 CO -0.26 0.33 0.51 0.00 -0.34 0.00 0.00 178.44 178.68 2ajp h ALA 92 N 1.20 0.99 -0.88 1.25 0.00 -0.21 -0.12 119.26 121.49 2ajp h ALA 92 Ca 0.18 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2ajp h ALA 92 Cb -0.00 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.44 2ajp h ALA 92 CO -0.08 0.38 0.48 1.98 0.00 0.00 0.00 179.25 182.01 2ajp h MET 93 N 1.03 1.23 -0.26 0.00 1.85 -0.77 -1.76 114.93 116.26 2ajp h MET 93 Ca 0.29 -0.15 0.04 0.00 -0.61 0.00 0.00 59.70 59.27 2ajp h MET 93 Cb -0.09 -0.24 -0.04 0.00 0.43 0.00 0.00 31.60 31.66 2ajp h MET 93 CO -0.07 0.91 0.04 0.28 -0.40 0.00 0.00 176.91 177.67 2ajp h VAL 94 N 1.24 0.86 -0.43 -5.77 2.07 -0.32 -1.70 116.25 112.21 2ajp h VAL 94 Ca 0.31 -0.05 0.09 0.00 0.82 0.00 0.00 66.70 67.87 2ajp h VAL 94 Cb 0.04 0.72 -0.08 0.00 -1.52 0.00 0.00 31.29 30.44 2ajp h VAL 94 CO -0.05 0.02 -0.11 0.58 0.02 0.00 0.00 177.57 178.03 2ajp h VAL 95 N 0.13 0.56 -0.66 2.57 2.07 -0.40 -0.74 116.25 119.78 2ajp h VAL 95 Ca 0.12 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.68 2ajp h VAL 95 Cb 0.13 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 2ajp h VAL 95 CO -0.17 0.00 0.40 0.44 0.02 0.00 0.00 177.57 178.26 2ajp h ASP 96 N -0.01 0.64 -0.23 0.57 3.45 -1.01 0.84 116.42 120.67 2ajp h ASP 96 Ca 0.21 0.01 0.01 0.00 0.43 0.00 0.00 57.03 57.68 2ajp h ASP 96 Cb 0.32 -0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 38.95 2ajp h ASP 96 CO -0.44 0.44 0.14 0.40 -1.57 0.00 0.00 179.24 178.21 2ajp h ILE 97 N 0.77 1.04 -0.32 0.35 2.04 -0.72 -0.73 117.51 119.95 2ajp h ILE 97 Ca 0.27 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 66.02 2ajp h ILE 97 Cb 0.06 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 2ajp h ILE 97 CO -0.12 0.05 0.16 0.58 0.00 0.00 0.00 178.15 178.83 2ajp h VAL 98 N 0.29 1.14 -0.66 1.67 2.07 -0.73 0.11 116.25 120.15 2ajp h VAL 98 Ca 0.09 -0.39 0.10 0.00 0.82 0.00 0.00 66.70 67.32 2ajp h VAL 98 Cb -0.02 0.82 -0.12 0.00 -1.52 0.00 0.00 31.29 30.46 2ajp h VAL 98 CO -0.03 0.15 -0.41 1.56 0.02 0.00 0.00 177.57 178.85 2ajp h GLN 99 N 0.38 -0.16 -0.47 1.57 1.08 -0.53 0.26 115.11 117.25 2ajp h GLN 99 Ca 0.11 0.01 -0.07 0.00 -1.45 0.00 0.00 58.65 57.25 2ajp h GLN 99 Cb 0.09 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.54 2ajp h GLN 99 CO -0.02 -0.11 0.03 1.49 -0.95 0.00 0.00 178.83 179.28 2ajp h GLU 100 N -0.17 0.80 -0.39 1.46 4.81 -0.73 -1.79 114.58 118.57 2ajp h GLU 100 Ca 0.22 -0.24 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 2ajp h GLU 100 Cb 0.56 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 2ajp h GLU 100 CO -0.74 0.84 0.19 -0.07 -0.73 0.00 0.00 179.01 178.50 2ajp h LEU 101 N 0.66 0.48 -0.96 1.64 3.38 -0.17 0.17 115.31 120.51 2ajp h LEU 101 Ca 0.14 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.98 2ajp h LEU 101 Cb 0.46 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2ajp h LEU 101 CO 0.02 0.41 -0.21 0.11 0.09 0.00 0.00 178.44 178.86 2ajp h LYS 102 N 0.54 0.52 -0.37 1.13 1.57 -0.13 0.68 116.57 120.51 2ajp h LYS 102 Ca 0.14 -0.18 -0.16 0.00 -1.87 0.00 0.00 60.65 58.57 2ajp h LYS 102 Cb 0.05 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 2ajp h LYS 102 CO -0.02 0.70 -0.41 1.96 -0.57 0.00 0.00 179.45 181.11 2ajp h GLN 103 N 0.46 0.93 -0.66 3.15 4.20 -0.67 -2.34 115.11 120.18 2ajp h GLN 103 Ca 0.07 -0.50 -0.05 0.00 0.06 0.00 0.00 58.65 58.24 2ajp h GLN 103 Cb 0.62 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.40 2ajp h GLN 103 CO 0.04 1.16 0.24 0.37 -0.67 0.00 0.00 178.83 179.97 2ajp h GLN 104 N 0.75 1.01 -3.14 1.46 5.75 -0.29 -3.40 115.11 117.26 2ajp h GLN 104 Ca 0.06 -0.20 -0.50 0.00 -0.15 0.00 0.00 58.65 57.86 2ajp h GLN 104 Cb 1.00 -0.16 -0.40 0.00 1.07 0.00 0.00 27.48 29.00 2ajp h GLN 104 CO 0.10 0.86 -0.76 1.21 -2.65 0.00 0.00 178.83 177.59 2ajp s ASN 105 N -6.24 2.88 0.14 -0.69 2.47 0.23 -5.01 114.94 108.73 2ajp s ASN 105 Ca -0.13 -0.90 0.25 0.00 0.42 0.00 0.00 52.86 52.51 2ajp s ASN 105 Cb 0.14 -0.40 0.93 0.00 -1.45 0.00 0.00 41.25 40.47 2ajp s ASN 105 CO 0.82 -0.37 1.77 -2.65 -3.72 0.00 0.00 177.10 172.95 2ajp n PRO 106 N 5.19 0.15 -0.05 0.43 -0.02 -0.88 -2.56 135.00 137.26 2ajp n PRO 106 Ca -0.07 0.21 0.10 0.00 -2.02 0.00 0.00 63.50 61.72 2ajp n PRO 106 Cb 0.46 -1.71 0.43 0.00 -0.02 0.00 0.00 33.50 32.66 2ajp n PRO 106 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2ajp n ARG 107 N -1.98 1.43 -1.84 -0.52 1.74 -1.26 -4.93 116.66 109.29 2ajp n ARG 107 Ca 0.05 -0.64 -0.42 0.00 -0.77 0.00 0.00 57.85 56.07 2ajp n ARG 107 Cb 0.34 -1.34 -0.02 0.00 -1.02 0.00 0.00 32.46 30.41 2ajp n ARG 107 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2ajp s LEU 108 N -1.54 4.36 -0.32 0.55 0.20 -1.06 -4.97 118.68 115.90 2ajp s LEU 108 Ca 0.29 2.81 -0.14 0.00 0.69 0.00 0.00 54.13 57.78 2ajp s LEU 108 Cb 0.15 -3.62 -0.02 0.00 -0.43 0.00 0.00 46.19 42.27 2ajp s LEU 108 CO 0.23 -0.87 0.32 -0.69 -0.29 0.00 0.00 176.35 175.05 2ajp s VAL 109 N 0.50 5.21 -0.39 1.68 1.01 -0.67 -4.98 120.40 122.76 2ajp s VAL 109 Ca 0.67 0.09 -0.21 0.00 0.00 0.00 0.00 61.98 62.53 2ajp s VAL 109 Cb -0.46 -3.74 0.01 0.00 0.00 0.00 0.00 36.38 32.18 2ajp s VAL 109 CO 0.40 0.00 0.65 -0.47 0.00 0.00 0.00 175.10 175.69 2ajp s TYR 110 N 1.93 3.11 -0.41 5.22 6.04 -1.26 -1.56 117.35 130.42 2ajp s TYR 110 Ca 0.10 0.19 -0.18 0.00 0.04 0.00 0.00 57.07 57.22 2ajp s TYR 110 Cb -0.17 -3.26 0.02 0.00 -1.04 0.00 0.00 41.96 37.51 2ajp s TYR 110 CO 0.11 -0.74 0.51 0.08 -1.54 0.00 0.00 175.55 173.97 2ajp s VAL 111 N 2.80 5.00 -0.17 3.14 1.01 0.19 -0.69 120.40 131.66 2ajp s VAL 111 Ca 0.24 -0.06 -0.03 0.00 0.00 0.00 0.00 61.98 62.13 2ajp s VAL 111 Cb -0.14 -4.07 -0.02 0.00 0.00 0.00 0.00 36.38 32.15 2ajp s VAL 111 CO 0.17 -0.43 -0.05 0.00 0.00 0.00 0.00 175.10 174.80 2ajp s ASP 113 N 0.71 5.97 -1.26 0.00 2.15 -0.32 -2.68 116.67 121.25 2ajp s ASP 113 Ca -0.02 -1.43 -0.17 0.00 0.43 0.00 0.00 52.55 51.35 2ajp s ASP 113 Cb -0.15 -2.11 0.09 0.00 -0.30 0.00 0.00 42.92 40.45 2ajp s ASP 113 CO 0.02 -0.62 1.65 -2.16 -0.17 0.00 0.00 175.17 173.88 2ajp s PRO 114 N 1.56 3.99 -0.29 4.34 0.04 -1.26 -4.29 135.00 139.09 2ajp s PRO 114 Ca 0.04 -2.10 -0.27 0.00 0.04 0.00 0.00 61.00 58.70 2ajp s PRO 114 Cb -0.24 -5.41 0.01 0.00 0.04 0.00 0.00 34.50 28.90 2ajp s PRO 114 CO 0.05 -2.13 0.98 0.08 0.04 0.00 0.00 177.00 176.02 2ajp s VAL 115 N 3.60 4.64 0.00 -0.36 1.01 -1.26 -4.77 120.40 123.26 2ajp s VAL 115 Ca 0.51 1.66 0.00 0.00 0.00 0.00 0.00 61.98 64.14 2ajp s VAL 115 Cb 0.02 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 32.09 2ajp s VAL 115 CO 0.05 -0.33 0.00 0.18 0.00 0.00 0.00 175.10 175.00 2ajp n LEU 116 N 6.54 0.75 0.00 3.92 4.77 -1.26 -4.71 117.00 127.00 2ajp n LEU 116 Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 2ajp n LEU 116 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 2ajp n LEU 116 CO 0.55 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 2ajp n GLY 117 N 1.98 -0.99 3.64 -0.72 0.00 -1.26 0.25 105.19 108.09 2ajp n GLY 117 Ca 0.00 -0.92 -0.07 0.00 0.00 0.00 0.00 46.02 45.02 2ajp n GLY 117 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ajp s ASP 118 N -4.00 -0.33 -1.17 1.61 -1.08 -1.08 -4.65 116.67 105.97 2ajp s ASP 118 Ca 0.00 -0.26 -0.08 0.00 -0.52 0.00 0.00 52.55 51.68 2ajp s ASP 118 Cb 0.00 0.54 0.23 0.00 -1.46 0.00 0.00 42.92 42.24 2ajp s ASP 118 CO 0.00 -0.95 1.52 0.29 0.52 0.00 0.00 175.17 176.55 2ajp n LYS 119 N -0.39 3.83 0.00 4.34 5.02 -1.26 -1.22 118.16 128.47 2ajp n LYS 119 Ca -0.09 -4.10 0.00 0.00 -2.02 0.00 0.00 58.31 52.11 2ajp n LYS 119 Cb 0.62 -2.74 0.01 0.00 -0.02 0.00 0.00 35.03 32.89 2ajp n LYS 119 CO 0.00 0.00 0.00 -2.67 -0.52 0.00 0.00 177.40 174.21 2ajp n TRP 120 N 3.18 0.00 0.00 2.13 2.14 -1.24 -4.43 117.44 119.21 2ajp n TRP 120 Ca 0.32 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.89 2ajp n TRP 120 Cb 0.37 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.87 2ajp n TRP 120 CO 0.00 0.00 0.00 -0.40 2.07 0.00 0.00 177.69 179.36 2ajp n ASP 121 N -0.86 0.00 0.00 -0.67 5.75 -1.26 -5.03 116.55 114.48 2ajp n ASP 121 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 2ajp n ASP 121 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 2ajp n ASP 121 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2ajp n GLY 122 N -0.70 0.00 3.73 6.12 0.00 -1.26 -5.05 105.19 108.04 2ajp n GLY 122 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2ajp n GLY 122 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ajp s GLU 123 N -1.26 4.54 0.31 1.61 2.12 -1.26 -4.99 118.70 119.78 2ajp s GLU 123 Ca 0.00 1.76 -0.19 0.00 0.36 0.00 0.00 54.97 56.90 2ajp s GLU 123 Cb 0.00 -3.28 -0.09 0.00 0.26 0.00 0.00 34.13 31.01 2ajp s GLU 123 CO 0.00 -0.02 0.79 0.20 -0.54 0.00 0.00 175.26 175.70 2ajp s GLY 124 N 0.15 2.49 -0.03 -1.50 0.00 -1.26 -3.71 107.32 103.45 2ajp s GLY 124 Ca 0.52 0.20 0.01 0.00 0.00 0.00 0.00 44.72 45.44 2ajp s GLY 124 CO 0.34 0.49 -0.03 -1.35 0.00 0.00 0.00 173.10 172.56 2ajp s SER 125 N -1.99 0.70 0.28 1.64 1.04 -0.36 -4.97 113.70 110.05 2ajp s SER 125 Ca 0.52 -0.09 -0.29 0.00 0.48 0.00 0.00 55.95 56.56 2ajp s SER 125 Cb -0.13 -0.33 -0.10 0.00 0.10 0.00 0.00 66.02 65.56 2ajp s SER 125 CO 0.18 -0.06 1.38 -0.04 0.98 0.00 0.00 173.24 175.68 2ajp s MET 126 N 0.84 4.31 0.00 4.02 1.00 -1.26 -2.64 119.30 125.56 2ajp s MET 126 Ca -0.10 2.25 0.24 0.00 0.00 0.00 0.00 55.69 58.08 2ajp s MET 126 Cb -0.13 -3.10 0.22 0.00 0.00 0.00 0.00 34.83 31.82 2ajp s MET 126 CO -0.00 -0.32 1.22 0.66 0.00 0.00 0.00 175.02 176.57 2ajp n TYR 127 N 1.68 0.00 -4.15 -0.03 4.01 0.14 -4.92 117.16 113.88 2ajp n TYR 127 Ca 0.04 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.62 2ajp n TYR 127 Cb 0.41 -0.09 -0.12 0.00 -0.31 0.00 0.00 39.34 39.23 2ajp n TYR 127 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2ajp s VAL 128 N -2.79 0.75 0.37 -0.72 1.01 -1.18 -4.99 120.40 112.87 2ajp s VAL 128 Ca 0.14 -1.00 -0.25 0.00 0.00 0.00 0.00 61.98 60.88 2ajp s VAL 128 Cb 0.18 -0.75 -0.13 0.00 0.00 0.00 0.00 36.38 35.68 2ajp s VAL 128 CO 0.69 -0.21 0.78 -2.65 0.00 0.00 0.00 175.10 173.71 2ajp n PRO 129 N 1.70 0.92 -0.03 2.72 -0.02 -1.26 -4.90 135.00 134.14 2ajp n PRO 129 Ca -0.20 0.33 -0.04 0.00 -2.02 0.00 0.00 63.50 61.57 2ajp n PRO 129 Cb 0.55 -1.70 0.17 0.00 -0.02 0.00 0.00 33.50 32.51 2ajp n PRO 129 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2ajp h GLU 130 N 1.29 0.60 0.00 -0.52 4.81 -1.99 -2.97 114.58 115.80 2ajp h GLU 130 Ca -0.40 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 58.61 2ajp h GLU 130 Cb 1.37 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.71 2ajp h GLU 130 CO 0.55 0.76 0.00 -0.40 -0.73 0.00 0.00 179.01 179.19 2ajp n ASP 131 N -4.14 0.48 0.15 1.04 5.68 -1.26 -2.18 116.55 116.31 2ajp n ASP 131 Ca 0.00 0.72 0.00 0.00 -0.50 0.00 0.00 54.79 55.02 2ajp n ASP 131 Cb 0.39 -0.79 0.28 0.00 -1.14 0.00 0.00 41.12 39.86 2ajp n ASP 131 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 2ajp h LEU 132 N 0.00 0.07 -0.27 -2.12 4.07 -1.89 -3.32 115.31 111.85 2ajp h LEU 132 Ca 0.00 -0.03 0.07 0.00 0.08 0.00 0.00 57.88 57.99 2ajp h LEU 132 Cb 0.01 -0.02 -0.08 0.00 1.08 0.00 0.00 40.66 41.65 2ajp h LEU 132 CO 0.00 0.50 -0.28 0.25 -1.08 0.00 0.00 178.44 177.83 2ajp h LEU 133 N 0.06 -0.89 -0.70 1.67 5.85 -1.66 -1.12 115.31 118.51 2ajp h LEU 133 Ca 0.00 0.16 0.07 0.00 0.84 0.00 0.00 57.88 58.95 2ajp h LEU 133 Cb 0.79 0.41 -0.06 0.00 0.37 0.00 0.00 40.66 42.17 2ajp h LEU 133 CO 0.06 -0.30 0.39 -0.65 -0.34 0.00 0.00 178.44 177.59 2ajp h PRO 134 N -0.27 0.68 -0.67 5.25 0.11 -1.79 0.17 132.00 135.47 2ajp h PRO 134 Ca 0.14 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 66.25 2ajp h PRO 134 Cb 0.50 -0.15 -0.05 0.00 0.11 0.00 0.00 31.00 31.41 2ajp h PRO 134 CO -0.43 0.45 0.40 0.28 -0.21 0.00 0.00 178.00 178.49 2ajp h VAL 135 N 0.70 1.04 0.30 3.15 2.07 -1.57 0.28 116.25 122.23 2ajp h VAL 135 Ca 0.32 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 2ajp h VAL 135 Cb 0.24 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 2ajp h VAL 135 CO -0.20 0.14 -0.14 1.88 0.02 0.00 0.00 177.57 179.26 2ajp h TYR 136 N 0.77 -0.37 -0.23 1.57 -1.99 -0.70 0.57 116.97 116.58 2ajp h TYR 136 Ca 0.28 -0.01 0.04 0.00 2.00 0.00 0.00 58.73 61.05 2ajp h TYR 136 Cb 0.09 0.12 -0.04 0.00 2.00 0.00 0.00 36.73 38.90 2ajp h TYR 136 CO -0.06 -0.14 -0.03 0.87 -0.00 0.00 0.00 178.16 178.80 2ajp h LYS 137 N -0.54 0.03 0.05 4.88 1.57 -0.46 0.23 116.57 122.32 2ajp h LYS 137 Ca -0.04 -0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.40 2ajp h LYS 137 Cb 0.40 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.66 2ajp h LYS 137 CO 0.07 0.02 -1.97 0.39 -0.57 0.00 0.00 179.45 177.39 2ajp n GLU 138 N -5.18 0.69 -0.08 3.15 1.02 0.98 -4.30 120.64 116.91 2ajp n GLU 138 Ca -0.02 0.24 -0.18 0.00 -0.02 0.00 0.00 57.16 57.18 2ajp n GLU 138 Cb 0.13 -1.70 -0.06 0.00 -0.02 0.00 0.00 31.44 29.79 2ajp n GLU 138 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2ajp n LYS 139 N -3.20 0.35 -0.03 3.49 4.01 0.18 -4.65 118.16 118.31 2ajp n LYS 139 Ca -0.27 0.15 -0.05 0.00 -0.51 0.00 0.00 58.31 57.62 2ajp n LYS 139 Cb 1.06 -1.09 -0.05 0.00 -0.51 0.00 0.00 35.03 34.43 2ajp n LYS 139 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2ajp h VAL 140 N -0.58 0.59 -0.30 -0.18 2.07 -0.73 -3.30 116.25 113.82 2ajp h VAL 140 Ca -0.42 -1.37 0.03 0.00 0.82 0.00 0.00 66.70 65.76 2ajp h VAL 140 Cb 1.37 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 32.22 2ajp h VAL 140 CO -0.25 0.19 0.12 0.58 0.02 0.00 0.00 177.57 178.23 2ajp h VAL 141 N -0.99 0.94 -0.18 2.57 2.07 -0.78 -1.03 116.25 118.85 2ajp h VAL 141 Ca -0.01 -0.09 0.05 0.00 0.82 0.00 0.00 66.70 67.48 2ajp h VAL 141 Cb 0.36 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 2ajp h VAL 141 CO 0.01 0.05 0.33 -0.65 0.02 0.00 0.00 177.57 177.32 2ajp h PRO 142 N 0.26 0.00 0.05 1.57 0.11 -1.72 -1.01 132.00 131.26 2ajp h PRO 142 Ca 0.13 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.95 2ajp h PRO 142 Cb 0.08 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.16 2ajp h PRO 142 CO -0.12 0.00 -1.58 1.25 -0.21 0.00 0.00 178.00 177.34 2ajp h LEU 143 N 0.00 0.18-10.03 2.35 5.85 -1.29 -3.43 115.31 108.94 2ajp h LEU 143 Ca 0.09 -0.30 -0.53 0.00 0.84 0.00 0.00 57.88 57.98 2ajp h LEU 143 Cb 0.74 -0.06 0.10 0.00 0.37 0.00 0.00 40.66 41.81 2ajp h LEU 143 CO -0.00 1.25 0.54 0.00 -0.34 0.00 0.00 178.44 179.89 2ajp s ALA 144 N -2.62 2.88 -0.07 1.25 0.00 -0.38 -4.80 121.76 118.02 2ajp s ALA 144 Ca -0.07 1.12 0.20 0.00 0.00 0.00 0.00 51.96 53.21 2ajp s ALA 144 Cb 0.08 -3.47 -0.30 0.00 0.00 0.00 0.00 23.12 19.43 2ajp s ALA 144 CO 0.83 -1.02 0.35 -0.25 0.00 0.00 0.00 175.76 175.67 2ajp n ASP 145 N -0.79 0.31 -3.76 0.00 8.00 0.13 -3.07 116.55 117.37 2ajp n ASP 145 Ca 0.09 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.43 2ajp n ASP 145 Cb 0.47 1.69 -0.16 0.00 -0.02 0.00 0.00 41.12 43.10 2ajp n ASP 145 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2ajp s ILE 146 N -3.18 -0.03 0.15 0.53 1.01 -0.88 -1.96 121.20 116.84 2ajp s ILE 146 Ca -0.08 0.24 0.07 0.00 0.00 0.00 0.00 60.65 60.88 2ajp s ILE 146 Cb 0.11 -0.13 -0.04 0.00 0.01 0.00 0.00 42.46 42.41 2ajp s ILE 146 CO 0.83 0.12 -0.16 0.27 0.00 0.00 0.00 174.94 176.01 2ajp s ILE 147 N 1.29 1.57 -0.36 2.92 -4.36 -0.88 -0.29 121.20 121.09 2ajp s ILE 147 Ca -0.06 -1.87 0.13 0.00 -0.26 0.00 0.00 60.65 58.59 2ajp s ILE 147 Cb -0.13 -1.73 0.39 0.00 1.25 0.00 0.00 42.46 42.24 2ajp s ILE 147 CO -0.03 -0.41 0.89 0.35 0.24 0.00 0.00 174.94 175.98 2ajp n THR 148 N 0.30 0.28 -2.28 8.37 -2.24 -1.09 -2.50 114.28 115.12 2ajp n THR 148 Ca -0.13 -3.52 -0.33 0.00 -2.27 0.00 0.00 64.05 57.79 2ajp n THR 148 Cb 0.58 0.33 -0.01 0.00 -2.10 0.00 0.00 70.33 69.13 2ajp n THR 148 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2ajp s PRO 149 N -2.24 3.54 0.05 -0.78 0.04 -1.19 -4.57 135.00 129.85 2ajp s PRO 149 Ca 0.32 1.29 -0.01 0.00 0.04 0.00 0.00 61.00 62.64 2ajp s PRO 149 Cb 0.39 -2.06 0.01 0.00 0.04 0.00 0.00 34.50 32.88 2ajp s PRO 149 CO -0.03 -0.64 0.06 0.27 0.04 0.00 0.00 177.00 176.70 2ajp n ASN 150 N -1.53 -0.27 0.02 6.66 0.23 -1.26 -0.98 115.26 118.13 2ajp n ASN 150 Ca 0.09 -0.90 -0.13 0.00 -0.53 0.00 0.00 54.58 53.12 2ajp n ASN 150 Cb 0.53 -0.05 -0.08 0.00 -2.08 0.00 0.00 39.78 38.09 2ajp n ASN 150 CO 0.00 0.00 0.00 -0.61 -0.93 0.00 0.00 177.26 175.72 2ajp h GLN 151 N 0.00 -0.01 -0.78 -3.83 4.15 -1.70 -2.02 115.11 110.91 2ajp h GLN 151 Ca -0.02 0.00 0.13 0.00 0.77 0.00 0.00 58.65 59.53 2ajp h GLN 151 Cb 0.06 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 27.66 2ajp h GLN 151 CO 0.01 0.22 0.38 0.35 -1.93 0.00 0.00 178.83 177.86 2ajp h PHE 152 N -0.25 0.66 -0.14 3.99 3.57 -1.90 -1.28 116.94 121.60 2ajp h PHE 152 Ca -0.00 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.40 2ajp h PHE 152 Cb 0.24 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 2ajp h PHE 152 CO 0.00 0.17 -0.50 0.93 -2.23 0.00 0.00 178.31 176.68 2ajp h GLU 153 N 0.58 0.37 -0.24 1.11 5.08 -1.80 -1.92 114.58 117.75 2ajp h GLU 153 Ca 0.41 -0.21 -0.09 0.00 -1.00 0.00 0.00 59.36 58.47 2ajp h GLU 153 Cb 0.55 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 2ajp h GLU 153 CO -0.34 0.79 -0.22 0.00 -1.00 0.00 0.00 179.01 178.23 2ajp h ALA 154 N 1.17 1.17 -0.17 3.43 0.00 -0.60 -1.88 119.26 122.38 2ajp h ALA 154 Ca 0.01 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.50 2ajp h ALA 154 Cb 0.99 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 2ajp h ALA 154 CO 0.09 0.53 -0.28 0.93 0.00 0.00 0.00 179.25 180.52 2ajp h GLU 155 N 0.40 0.48 -0.34 0.00 5.08 -0.94 -2.56 114.58 116.70 2ajp h GLU 155 Ca 0.06 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 58.12 2ajp h GLU 155 Cb 0.61 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 2ajp h GLU 155 CO 0.04 0.89 0.17 -0.07 -1.00 0.00 0.00 179.01 179.04 2ajp h LEU 156 N 0.12 0.44 -1.13 1.33 3.38 -1.31 0.16 115.31 118.30 2ajp h LEU 156 Ca 0.01 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 2ajp h LEU 156 Cb 0.86 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 2ajp h LEU 156 CO 0.06 0.43 -0.16 -0.07 0.09 0.00 0.00 178.44 178.79 2ajp h LEU 157 N 0.41 0.00 0.00 1.67 3.38 -1.36 -3.07 115.31 116.34 2ajp h LEU 157 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2ajp h LEU 157 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2ajp h LEU 157 CO -0.02 0.16 -1.69 -1.54 0.09 0.00 0.00 178.44 175.45 2ajp n SER 158 N -3.31 0.51 0.00 -0.43 3.41 -0.97 -4.95 113.62 107.88 2ajp n SER 158 Ca 0.00 -0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.39 2ajp n SER 158 Cb 0.41 1.70 0.00 0.00 -0.26 0.00 0.00 64.21 66.06 2ajp n SER 158 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ajp n GLY 159 N 1.38 1.55 3.78 5.00 0.00 0.03 -5.01 105.19 111.91 2ajp n GLY 159 Ca -0.02 -0.21 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 2ajp n GLY 159 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ajp s ARG 160 N 0.00 3.52 0.15 1.61 0.52 -1.22 -4.87 118.95 118.66 2ajp s ARG 160 Ca 0.00 1.61 -0.16 0.00 -0.52 0.00 0.00 55.73 56.66 2ajp s ARG 160 Cb 0.00 -2.11 -0.07 0.00 0.52 0.00 0.00 34.95 33.28 2ajp s ARG 160 CO 0.00 -0.71 0.58 0.21 0.02 0.00 0.00 175.30 175.40 2ajp s LYS 161 N -3.13 4.06 -0.25 3.54 2.47 -1.26 -4.37 119.74 120.79 2ajp s LYS 161 Ca 0.70 0.59 -0.01 0.00 -1.56 0.00 0.00 55.97 55.69 2ajp s LYS 161 Cb -0.24 -2.96 0.03 0.00 -1.46 0.00 0.00 37.83 33.20 2ajp s LYS 161 CO 0.28 0.48 -0.07 0.42 0.16 0.00 0.00 175.35 176.62 2ajp s ILE 162 N -1.43 2.80 0.00 5.43 1.01 -1.26 -4.91 121.20 122.83 2ajp s ILE 162 Ca 0.37 -1.06 0.00 0.00 0.00 0.00 0.00 60.65 59.97 2ajp s ILE 162 Cb -0.16 -2.42 0.00 0.00 0.01 0.00 0.00 42.46 39.89 2ajp s ILE 162 CO 0.19 0.20 0.00 1.41 0.00 0.00 0.00 174.94 176.74 2ajp n HIS 163 N 4.65 0.00 -4.17 3.97 8.25 -1.26 -4.98 115.22 121.68 2ajp n HIS 163 Ca -0.16 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.19 2ajp n HIS 163 Cb 0.47 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.48 2ajp n HIS 163 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2ajp s SER 164 N -0.66 0.62 0.61 0.41 1.04 -1.26 -4.93 113.70 109.53 2ajp s SER 164 Ca 0.00 -1.17 0.32 0.00 0.48 0.00 0.00 55.95 55.59 2ajp s SER 164 Cb 0.00 0.22 1.87 0.00 0.10 0.00 0.00 66.02 68.22 2ajp s SER 164 CO 0.00 -0.66 2.21 -0.61 0.98 0.00 0.00 173.24 175.16 2ajp h GLN 165 N 2.85 0.00 0.04 4.02 4.15 -1.98 -1.83 115.11 122.37 2ajp h GLN 165 Ca -0.35 0.00 -0.31 0.00 0.77 0.00 0.00 58.65 58.75 2ajp h GLN 165 Cb 1.19 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.84 2ajp h GLN 165 CO 0.61 0.00 -1.79 0.93 -1.93 0.00 0.00 178.83 176.66 2ajp h GLU 166 N 0.00 0.09 0.24 1.69 3.07 -1.98 -2.69 114.58 115.00 2ajp h GLU 166 Ca 0.03 -0.16 -0.01 0.00 -0.50 0.00 0.00 59.36 58.72 2ajp h GLU 166 Cb 0.20 0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.17 2ajp h GLU 166 CO -0.00 0.75 -0.12 0.93 -1.40 0.00 0.00 179.01 179.17 2ajp h GLU 167 N 0.03 -0.31 -0.79 2.33 5.08 -1.91 -2.25 114.58 116.75 2ajp h GLU 167 Ca -0.32 0.02 0.19 0.00 -1.00 0.00 0.00 59.36 58.25 2ajp h GLU 167 Cb 2.02 0.07 -0.13 0.00 0.50 0.00 0.00 28.75 31.21 2ajp h GLU 167 CO 0.09 -0.17 0.12 0.00 -1.00 0.00 0.00 179.01 178.04 2ajp h ALA 168 N 0.38 0.99 0.00 3.43 0.00 -1.42 0.12 119.26 122.76 2ajp h ALA 168 Ca -0.03 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2ajp h ALA 168 Cb 0.28 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2ajp h ALA 168 CO 0.05 -0.42 0.00 -0.07 0.00 0.00 0.00 179.25 178.82 2ajp h LEU 169 N 0.17 0.00 0.20 0.00 3.38 -1.42 -1.01 115.31 116.64 2ajp h LEU 169 Ca 0.46 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 58.09 2ajp h LEU 169 Cb 0.85 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.62 2ajp h LEU 169 CO -0.63 0.00 -1.62 0.03 0.09 0.00 0.00 178.44 176.31 2ajp h ARG 170 N 0.00 0.43 -0.38 1.13 3.08 -0.46 -2.81 114.38 115.37 2ajp h ARG 170 Ca 0.00 -0.74 -0.01 0.00 0.07 0.00 0.00 59.98 59.31 2ajp h ARG 170 Cb 0.73 0.27 -0.02 0.00 0.08 0.00 0.00 29.97 31.04 2ajp h ARG 170 CO 0.00 1.34 0.21 0.28 -1.07 0.00 0.00 179.97 180.73 2ajp h VAL 171 N 0.12 1.12 -0.06 2.04 2.07 -0.73 -1.35 116.25 119.46 2ajp h VAL 171 Ca -0.30 -0.29 -0.11 0.00 0.82 0.00 0.00 66.70 66.83 2ajp h VAL 171 Cb 2.12 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 32.48 2ajp h VAL 171 CO 0.21 0.13 -0.47 0.24 0.02 0.00 0.00 177.57 177.70 2ajp h MET 172 N 0.52 0.14 -0.52 1.57 2.86 -1.22 -2.02 114.93 116.26 2ajp h MET 172 Ca 0.14 -0.07 -0.07 0.00 -2.06 0.00 0.00 59.70 57.64 2ajp h MET 172 Cb 0.01 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 2ajp h MET 172 CO -0.02 0.58 0.05 -0.44 1.06 0.00 0.00 176.91 178.13 2ajp h ASP 173 N 0.11 0.80 0.04 1.22 3.45 -1.02 -1.41 116.42 119.60 2ajp h ASP 173 Ca 0.01 -0.18 -0.00 0.00 0.43 0.00 0.00 57.03 57.28 2ajp h ASP 173 Cb 0.87 -0.21 0.00 0.00 -0.56 0.00 0.00 39.33 39.43 2ajp h ASP 173 CO 0.07 0.83 -0.02 0.24 -1.57 0.00 0.00 179.24 178.80 2ajp h MET 174 N 0.79 -0.05 -0.33 3.56 2.86 -0.89 -2.80 114.93 118.07 2ajp h MET 174 Ca 0.16 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.75 2ajp h MET 174 Cb 0.41 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.06 2ajp h MET 174 CO 0.01 0.10 -0.03 -0.07 1.06 0.00 0.00 176.91 177.98 2ajp h LEU 175 N -0.18 0.50 -0.83 1.22 3.38 -1.31 -1.33 115.31 116.76 2ajp h LEU 175 Ca -0.00 -0.10 0.06 0.00 0.09 0.00 0.00 57.88 57.93 2ajp h LEU 175 Cb 0.17 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 2ajp h LEU 175 CO 0.01 0.59 0.50 0.45 0.09 0.00 0.00 178.44 180.08 2ajp h HIS 176 N 0.50 0.93 0.00 1.13 3.86 -1.20 -2.09 115.15 118.28 2ajp h HIS 176 Ca 0.10 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 2ajp h HIS 176 Cb 0.38 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 28.55 2ajp h HIS 176 CO 0.01 0.46 -0.03 0.66 0.86 0.00 0.00 177.93 179.89 2ajp h SER 177 N 0.91 0.00 1.11 2.45 4.64 -1.03 -2.63 113.55 119.00 2ajp h SER 177 Ca 0.37 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 2ajp h SER 177 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 2ajp h SER 177 CO -0.18 0.01 0.00 0.23 -0.87 0.00 0.00 176.83 176.01 2ajp n MET 178 N -2.32 0.22 0.00 4.77 2.00 -0.60 -4.96 117.12 116.24 2ajp n MET 178 Ca 0.05 0.31 0.00 0.00 0.00 0.00 0.00 57.70 58.06 2ajp n MET 178 Cb 0.44 -1.83 0.00 0.00 0.00 0.00 0.00 33.22 31.83 2ajp n MET 178 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2ajp n GLY 179 N 0.69 1.03 3.73 3.03 0.00 -0.99 -3.53 105.19 109.15 2ajp n GLY 179 Ca 0.04 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 2ajp n GLY 179 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ajp n PRO 180 N 0.00 2.40 0.14 1.61 -0.04 -1.18 -4.92 135.00 133.02 2ajp n PRO 180 Ca 0.00 0.85 0.12 0.00 -0.04 0.00 0.00 63.50 64.42 2ajp n PRO 180 Cb 0.00 -2.52 0.07 0.00 -0.04 0.00 0.00 33.50 31.01 2ajp n PRO 180 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2ajp h ASP 181 N 3.27 0.00 -3.14 3.54 5.19 -1.64 -3.38 116.42 120.27 2ajp h ASP 181 Ca -0.48 -0.01 -0.63 0.00 -0.62 0.00 0.00 57.03 55.30 2ajp h ASP 181 Cb 1.26 0.00 -0.35 0.00 0.18 0.00 0.00 39.33 40.42 2ajp h ASP 181 CO 0.67 0.01 -0.84 -0.89 -3.12 0.00 0.00 179.24 175.07 2ajp s THR 182 N -3.30 1.74 -0.08 0.35 2.01 -0.87 -0.21 115.64 115.28 2ajp s THR 182 Ca 0.02 -0.75 0.04 0.00 0.31 0.00 0.00 61.69 61.31 2ajp s THR 182 Cb 0.08 -1.60 0.00 0.00 0.01 0.00 0.00 72.50 71.00 2ajp s THR 182 CO 0.75 0.49 -0.19 -0.69 -0.69 0.00 0.00 174.62 174.28 2ajp s VAL 183 N 1.27 1.68 -0.16 3.82 1.01 0.63 -2.07 120.40 126.59 2ajp s VAL 183 Ca 0.02 -0.81 -0.04 0.00 0.00 0.00 0.00 61.98 61.14 2ajp s VAL 183 Cb -0.14 -1.47 0.06 0.00 0.00 0.00 0.00 36.38 34.83 2ajp s VAL 183 CO -0.09 0.48 0.08 -0.69 0.00 0.00 0.00 175.10 174.87 2ajp s VAL 184 N 0.38 0.03 -0.25 2.92 1.01 -1.04 0.45 120.40 123.89 2ajp s VAL 184 Ca -0.15 -0.17 -0.29 0.00 0.00 0.00 0.00 61.98 61.37 2ajp s VAL 184 Cb -0.16 -0.61 0.00 0.00 0.00 0.00 0.00 36.38 35.61 2ajp s VAL 184 CO 0.06 -0.21 1.16 -0.63 0.00 0.00 0.00 175.10 175.49 2ajp s ILE 185 N 2.09 4.41 -0.50 2.22 1.01 0.59 -3.14 121.20 127.88 2ajp s ILE 185 Ca 0.02 1.67 0.24 0.00 0.00 0.00 0.00 60.65 62.57 2ajp s ILE 185 Cb -0.16 -4.22 0.14 0.00 0.01 0.00 0.00 42.46 38.23 2ajp s ILE 185 CO -0.08 -0.31 1.39 0.71 0.00 0.00 0.00 174.94 176.65 2ajp h THR 186 N 5.64 0.00 -1.97 2.92 1.35 -1.30 -2.66 112.91 116.89 2ajp h THR 186 Ca -0.23 -0.74 -0.05 0.00 -0.55 0.00 0.00 66.41 64.85 2ajp h THR 186 Cb 1.08 1.47 -0.20 0.00 -1.73 0.00 0.00 68.15 68.77 2ajp h THR 186 CO 1.00 0.00 0.20 -0.94 -0.25 0.00 0.00 175.52 175.54 2ajp s SER 187 N -5.03 -0.66 0.04 5.36 1.04 -1.26 -4.78 113.70 108.41 2ajp s SER 187 Ca 0.05 0.85 -0.18 0.00 0.48 0.00 0.00 55.95 57.15 2ajp s SER 187 Cb 0.10 0.72 0.04 0.00 0.10 0.00 0.00 66.02 66.98 2ajp s SER 187 CO 0.71 -0.51 0.42 -0.94 0.98 0.00 0.00 173.24 173.89 2ajp s SER 188 N -0.84 -0.30 0.41 7.02 1.04 -0.76 -1.68 113.70 118.58 2ajp s SER 188 Ca -0.08 0.02 0.26 0.00 0.48 0.00 0.00 55.95 56.63 2ajp s SER 188 Cb -0.01 0.43 1.43 0.00 0.10 0.00 0.00 66.02 67.97 2ajp s SER 188 CO 0.07 -0.66 1.80 0.44 0.98 0.00 0.00 173.24 175.87 2ajp h ASP 189 N 3.02 0.00 -3.31 7.02 3.32 -1.94 -3.07 116.42 121.46 2ajp h ASP 189 Ca -0.31 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.16 2ajp h ASP 189 Cb 1.20 0.00 0.14 0.00 0.22 0.00 0.00 39.33 40.89 2ajp h ASP 189 CO 0.43 0.00 0.23 0.18 -1.72 0.00 0.00 179.24 178.37 2ajp n LEU 190 N -2.44 3.23 -4.80 1.55 4.77 -1.26 -4.92 117.00 113.13 2ajp n LEU 190 Ca -0.02 1.00 -0.35 0.00 -0.03 0.00 0.00 56.01 56.61 2ajp n LEU 190 Cb 0.07 -1.40 -0.05 0.00 -2.33 0.00 0.00 43.42 39.71 2ajp n LEU 190 CO 0.12 -1.37 0.69 -2.16 -1.33 0.00 0.00 177.39 173.34 2ajp s PRO 191 N -2.24 4.23 -0.06 3.23 0.04 -1.26 -4.56 135.00 134.39 2ajp s PRO 191 Ca 0.66 1.33 0.01 0.00 0.04 0.00 0.00 61.00 63.03 2ajp s PRO 191 Cb -0.51 -2.43 -0.03 0.00 0.04 0.00 0.00 34.50 31.57 2ajp s PRO 191 CO 0.55 -0.05 -0.05 0.45 0.04 0.00 0.00 177.00 177.94 2ajp s SER 192 N -1.83 4.78 0.00 6.66 0.15 -1.26 -5.01 113.70 117.19 2ajp s SER 192 Ca 0.59 -0.01 0.09 0.00 0.70 0.00 0.00 55.95 57.32 2ajp s SER 192 Cb -0.16 -1.22 0.55 0.00 -1.71 0.00 0.00 66.02 63.48 2ajp s SER 192 CO 0.21 0.35 0.98 -0.81 1.20 0.00 0.00 173.24 175.17 2ajp n PRO 193 N 2.05 0.43 -0.00 5.44 -0.04 -1.26 -3.43 135.00 138.19 2ajp n PRO 193 Ca -0.17 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.35 2ajp n PRO 193 Cb 0.53 -1.34 -0.08 0.00 -0.04 0.00 0.00 33.50 32.57 2ajp n PRO 193 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2ajp n GLN 194 N -0.84 2.28 0.00 0.54 6.02 -1.26 -5.09 117.38 119.04 2ajp n GLN 194 Ca 0.07 -0.02 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 2ajp n GLN 194 Cb 0.03 -1.15 0.00 0.00 1.02 0.00 0.00 30.24 30.14 2ajp n GLN 194 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2ajp n GLY 195 N 1.39 2.23 0.20 1.08 0.00 -1.22 -4.94 105.19 103.93 2ajp n GLY 195 Ca 0.02 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.93 2ajp n GLY 195 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2ajp h SER 196 N 0.00 0.15 -0.59 1.61 4.64 -1.99 -3.36 113.55 114.02 2ajp h SER 196 Ca 0.00 -0.06 -0.36 0.00 -0.47 0.00 0.00 61.79 60.90 2ajp h SER 196 Cb 0.00 -0.04 -0.13 0.00 -0.31 0.00 0.00 62.40 61.92 2ajp h SER 196 CO 0.00 0.51 0.05 -0.46 -0.87 0.00 0.00 176.83 176.06 2ajp n ASN 197 N -4.08 5.92 -4.22 4.97 6.94 -1.26 -4.86 115.26 118.67 2ajp n ASN 197 Ca -0.01 -2.88 -0.13 0.00 -0.02 0.00 0.00 54.58 51.53 2ajp n ASN 197 Cb 0.43 -1.31 -0.10 0.00 -2.36 0.00 0.00 39.78 36.43 2ajp n ASN 197 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 2ajp s TYR 198 N -0.52 1.13 -0.09 -2.53 1.51 -1.26 -0.65 117.35 114.95 2ajp s TYR 198 Ca 0.62 -0.94 -0.04 0.00 -1.01 0.00 0.00 57.07 55.70 2ajp s TYR 198 Cb 0.35 -0.63 0.04 0.00 -0.11 0.00 0.00 41.96 41.61 2ajp s TYR 198 CO -0.12 -0.13 0.21 -1.17 -1.11 0.00 0.00 175.55 173.22 2ajp s LEU 199 N -3.14 0.57 -0.15 -1.29 0.20 0.09 -4.79 118.68 110.17 2ajp s LEU 199 Ca 0.19 0.44 -0.05 0.00 0.69 0.00 0.00 54.13 55.39 2ajp s LEU 199 Cb 0.05 0.60 -0.04 0.00 -0.43 0.00 0.00 46.19 46.38 2ajp s LEU 199 CO 0.01 -0.15 0.04 -0.63 -0.29 0.00 0.00 176.35 175.32 2ajp s ILE 200 N 1.16 4.62 -0.15 6.68 -1.09 -1.16 -0.98 121.20 130.28 2ajp s ILE 200 Ca -0.09 -0.11 -0.01 0.00 -2.23 0.00 0.00 60.65 58.21 2ajp s ILE 200 Cb -0.10 -3.03 -0.01 0.00 -1.58 0.00 0.00 42.46 37.73 2ajp s ILE 200 CO -0.07 0.52 -0.11 -0.69 -1.23 0.00 0.00 174.94 173.36 2ajp s VAL 201 N -0.11 3.15 -0.05 2.92 1.01 -0.45 -1.84 120.40 125.04 2ajp s VAL 201 Ca 0.06 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.46 2ajp s VAL 201 Cb -0.12 -2.35 -0.02 0.00 0.00 0.00 0.00 36.38 33.89 2ajp s VAL 201 CO 0.01 0.51 -0.16 -0.76 0.00 0.00 0.00 175.10 174.70 2ajp s LEU 202 N 0.54 2.59 -0.00 3.92 1.43 -1.00 -0.69 118.68 125.48 2ajp s LEU 202 Ca -0.07 -0.27 0.02 0.00 -1.03 0.00 0.00 54.13 52.78 2ajp s LEU 202 Cb -0.15 -1.52 -0.01 0.00 0.03 0.00 0.00 46.19 44.54 2ajp s LEU 202 CO 0.04 0.32 -0.08 -0.83 0.23 0.00 0.00 176.35 176.02 2ajp s GLY 203 N -0.57 0.41 -0.05 -3.19 0.00 -0.62 -0.30 107.32 102.99 2ajp s GLY 203 Ca 0.08 -0.38 -0.02 0.00 0.00 0.00 0.00 44.72 44.40 2ajp s GLY 203 CO 0.01 -0.33 0.11 -0.45 0.00 0.00 0.00 173.10 172.44 2ajp s SER 204 N -0.31 0.00 -0.05 1.64 0.15 0.17 -1.37 113.70 113.93 2ajp s SER 204 Ca 0.02 0.23 0.01 0.00 0.70 0.00 0.00 55.95 56.91 2ajp s SER 204 Cb -0.04 0.12 0.02 0.00 -1.71 0.00 0.00 66.02 64.41 2ajp s SER 204 CO -0.00 -0.15 -0.04 -1.58 1.20 0.00 0.00 173.24 172.66 2ajp s GLN 205 N 1.23 0.87 -0.15 5.44 0.74 -0.33 -0.27 119.66 127.20 2ajp s GLN 205 Ca -0.08 -0.10 -0.15 0.00 0.05 0.00 0.00 55.36 55.08 2ajp s GLN 205 Cb -0.12 -0.91 -0.05 0.00 1.10 0.00 0.00 33.01 33.03 2ajp s GLN 205 CO -0.05 -0.11 0.33 0.50 -0.55 0.00 0.00 175.29 175.41 2ajp s ARG 206 N 1.08 4.25 0.32 1.67 3.52 0.71 -1.63 118.95 128.87 2ajp s ARG 206 Ca -0.08 0.18 0.07 0.00 -0.13 0.00 0.00 55.73 55.77 2ajp s ARG 206 Cb -0.14 -3.42 -0.03 0.00 -1.56 0.00 0.00 34.95 29.80 2ajp s ARG 206 CO -0.01 0.24 0.26 0.54 -0.81 0.00 0.00 175.30 175.53 2ajp n ARG 207 N 3.52 0.40 -1.05 5.12 5.12 -0.46 -4.84 116.66 124.46 2ajp n ARG 207 Ca -0.11 -3.16 -0.03 0.00 -1.93 0.00 0.00 57.85 52.62 2ajp n ARG 207 Cb 0.52 2.55 -0.02 0.00 -1.16 0.00 0.00 32.46 34.35 2ajp n ARG 207 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2ajp n ARG 208 N -0.61 0.01 -3.11 5.56 5.12 -1.26 -1.28 116.66 121.09 2ajp n ARG 208 Ca 0.07 -0.25 -0.42 0.00 -1.93 0.00 0.00 57.85 55.32 2ajp n ARG 208 Cb 0.57 -1.42 -0.07 0.00 -1.16 0.00 0.00 32.46 30.38 2ajp n ARG 208 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2ajp s VAL 214 N 3.01 4.90 0.14 1.55 1.01 -1.26 -5.12 120.40 124.63 2ajp s VAL 214 Ca 0.13 0.67 0.07 0.00 0.00 0.00 0.00 61.98 62.85 2ajp s VAL 214 Cb -0.00 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 2ajp s VAL 214 CO 0.04 -0.26 -0.05 0.68 0.00 0.00 0.00 175.10 175.50 2ajp s VAL 215 N 2.68 3.54 0.04 2.92 -7.23 -0.41 -5.14 120.40 116.81 2ajp s VAL 215 Ca 0.25 -1.34 0.07 0.00 -1.81 0.00 0.00 61.98 59.15 2ajp s VAL 215 Cb -0.15 -2.72 -0.03 0.00 0.56 0.00 0.00 36.38 34.05 2ajp s VAL 215 CO 0.14 0.01 -0.15 -0.04 -0.31 0.00 0.00 175.10 174.75 2ajp s MET 216 N -2.54 2.14 -0.05 4.82 1.00 -1.26 -1.36 119.30 122.05 2ajp s MET 216 Ca 0.24 -0.95 0.03 0.00 0.00 0.00 0.00 55.69 55.01 2ajp s MET 216 Cb -0.10 -2.25 0.00 0.00 0.00 0.00 0.00 34.83 32.49 2ajp s MET 216 CO 0.16 0.54 -0.14 -2.00 0.00 0.00 0.00 175.02 173.59 2ajp s GLU 217 N -1.54 1.64 -0.02 2.03 2.12 -0.64 -5.00 118.70 117.29 2ajp s GLU 217 Ca 0.16 -0.48 0.00 0.00 0.36 0.00 0.00 54.97 55.01 2ajp s GLU 217 Cb -0.11 -1.40 0.02 0.00 0.26 0.00 0.00 34.13 32.90 2ajp s GLU 217 CO 0.07 0.13 -0.00 1.03 -0.54 0.00 0.00 175.26 175.94 2ajp s ARG 218 N 0.33 0.25 0.10 4.30 0.52 -1.26 -1.18 118.95 122.01 2ajp s ARG 218 Ca -0.08 0.04 0.02 0.00 -0.52 0.00 0.00 55.73 55.18 2ajp s ARG 218 Cb -0.13 -0.39 -0.04 0.00 0.52 0.00 0.00 34.95 34.91 2ajp s ARG 218 CO 0.03 -0.09 -0.07 0.96 0.02 0.00 0.00 175.30 176.15 2ajp s ILE 219 N 0.74 0.73 0.02 1.52 -5.25 -0.47 -0.60 121.20 117.88 2ajp s ILE 219 Ca -0.07 -1.93 0.01 0.00 -0.99 0.00 0.00 60.65 57.67 2ajp s ILE 219 Cb -0.10 -1.68 -0.02 0.00 2.95 0.00 0.00 42.46 43.61 2ajp s ILE 219 CO -0.01 -0.86 -0.05 -0.60 -1.79 0.00 0.00 174.94 171.63 2ajp s ARG 220 N -3.79 0.38 -0.02 0.37 3.52 0.08 -1.60 118.95 117.88 2ajp s ARG 220 Ca 0.12 -0.50 -0.01 0.00 -0.13 0.00 0.00 55.73 55.21 2ajp s ARG 220 Cb 0.05 -0.16 0.02 0.00 -1.56 0.00 0.00 34.95 33.29 2ajp s ARG 220 CO -0.04 0.03 0.04 -1.64 -0.81 0.00 0.00 175.30 172.88 2ajp s MET 221 N -1.05 0.01 -0.22 5.12 -1.94 0.14 -0.34 119.30 121.01 2ajp s MET 221 Ca -0.08 0.14 -0.06 0.00 -1.71 0.00 0.00 55.69 53.98 2ajp s MET 221 Cb -0.07 -0.12 -0.03 0.00 2.01 0.00 0.00 34.83 36.62 2ajp s MET 221 CO -0.00 -0.09 0.03 -0.51 -0.01 0.00 0.00 175.02 174.44 2ajp s ASP 222 N 0.60 4.97 -0.14 3.03 1.11 -1.26 -1.34 116.67 123.65 2ajp s ASP 222 Ca -0.05 -0.20 0.02 0.00 0.18 0.00 0.00 52.55 52.49 2ajp s ASP 222 Cb -0.07 -1.87 0.02 0.00 1.07 0.00 0.00 42.92 42.06 2ajp s ASP 222 CO -0.02 0.02 -0.18 -0.63 1.18 0.00 0.00 175.17 175.54 2ajp s ILE 223 N 1.30 1.76 -0.13 0.77 1.01 -0.15 -4.94 121.20 120.82 2ajp s ILE 223 Ca 0.04 -0.78 -0.29 0.00 0.00 0.00 0.00 60.65 59.62 2ajp s ILE 223 Cb -0.15 -1.60 -0.06 0.00 0.01 0.00 0.00 42.46 40.67 2ajp s ILE 223 CO 0.02 0.49 2.04 -0.60 0.00 0.00 0.00 174.94 176.89 2ajp s ARG 224 N 1.08 3.59 0.71 2.79 6.06 -1.26 -0.73 118.95 131.18 2ajp s ARG 224 Ca -0.03 2.18 -0.16 0.00 -2.50 0.00 0.00 55.73 55.23 2ajp s ARG 224 Cb -0.14 -4.25 0.02 0.00 0.06 0.00 0.00 34.95 30.64 2ajp s ARG 224 CO -0.05 -1.58 1.23 0.15 -2.50 0.00 0.00 175.30 172.55 2ajp s LYS 225 N 5.43 2.26 0.01 5.12 1.02 0.18 -4.94 119.74 128.83 2ajp s LYS 225 Ca 0.92 1.84 0.08 0.00 0.02 0.00 0.00 55.97 58.83 2ajp s LYS 225 Cb -0.35 -1.84 -0.03 0.00 -0.52 0.00 0.00 37.83 35.09 2ajp s LYS 225 CO 0.37 -1.76 -0.25 0.08 -0.92 0.00 0.00 175.35 172.87 2ajp s VAL 226 N -1.82 2.24 -1.37 3.17 1.01 -1.26 -4.93 120.40 117.43 2ajp s VAL 226 Ca 0.76 -1.21 -0.16 0.00 0.00 0.00 0.00 61.98 61.38 2ajp s VAL 226 Cb -0.31 -1.84 0.06 0.00 0.00 0.00 0.00 36.38 34.29 2ajp s VAL 226 CO 0.43 0.47 1.96 -0.67 0.00 0.00 0.00 175.10 177.29 2ajp n ASP 227 N 2.06 4.46 -3.60 3.32 4.64 -1.26 -4.81 116.55 121.37 2ajp n ASP 227 Ca -0.16 -2.89 -0.07 0.00 -1.38 0.00 0.00 54.79 50.28 2ajp n ASP 227 Cb 0.52 -1.70 -0.05 0.00 -1.04 0.00 0.00 41.12 38.85 2ajp n ASP 227 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2ajp s ALA 228 N 3.61 -2.00 -0.35 -1.67 0.00 -1.26 -5.07 121.76 115.02 2ajp s ALA 228 Ca 0.50 1.67 -0.14 0.00 0.00 0.00 0.00 51.96 53.99 2ajp s ALA 228 Cb 0.09 -0.90 -0.01 0.00 0.00 0.00 0.00 23.12 22.30 2ajp s ALA 228 CO -0.00 -0.31 0.28 0.08 0.00 0.00 0.00 175.76 175.80 2ajp s VAL 229 N -1.21 5.26 0.20 0.00 1.01 -1.26 -5.08 120.40 119.31 2ajp s VAL 229 Ca 0.02 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.76 2ajp s VAL 229 Cb -0.01 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 2ajp s VAL 229 CO -0.02 -0.09 0.38 -0.36 0.00 0.00 0.00 175.10 175.01 2ajp s PHE 230 N 1.78 3.48 -0.05 5.22 0.40 -1.26 -5.00 117.98 122.56 2ajp s PHE 230 Ca 0.07 0.29 0.05 0.00 -0.60 0.00 0.00 56.93 56.74 2ajp s PHE 230 Cb -0.17 -1.81 -0.02 0.00 0.51 0.00 0.00 43.02 41.53 2ajp s PHE 230 CO 0.11 0.40 -0.19 0.08 0.70 0.00 0.00 175.22 176.31 2ajp s VAL 231 N -1.87 2.60 0.00 -0.44 1.01 -1.26 -4.70 120.40 115.74 2ajp s VAL 231 Ca 0.38 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.47 2ajp s VAL 231 Cb -0.11 -1.98 0.00 0.00 0.00 0.00 0.00 36.38 34.29 2ajp s VAL 231 CO 0.29 0.58 0.00 0.61 0.00 0.00 0.00 175.10 176.58 2ajp n GLY 232 N 2.53 0.65 0.25 4.51 0.00 -1.26 -4.68 105.19 107.20 2ajp n GLY 232 Ca -0.17 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.81 2ajp n GLY 232 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2ajp h THR 233 N 0.00 1.26 -0.29 2.61 1.35 -1.87 0.12 112.91 116.09 2ajp h THR 233 Ca 0.00 -1.20 -0.03 0.00 -0.55 0.00 0.00 66.41 64.63 2ajp h THR 233 Cb 0.00 1.20 -0.01 0.00 -1.73 0.00 0.00 68.15 67.61 2ajp h THR 233 CO 0.00 0.39 0.06 1.23 -0.25 0.00 0.00 175.52 176.95 2ajp h GLY 234 N 0.98 0.51 0.47 5.82 0.00 -1.94 0.38 103.07 109.30 2ajp h GLY 234 Ca 0.09 -0.33 0.04 0.00 0.00 0.00 0.00 47.33 47.13 2ajp h GLY 234 CO 0.04 0.30 -0.15 -0.55 0.00 0.00 0.00 176.54 176.19 2ajp h ASP 235 N 0.30 -0.47 -0.95 0.19 3.32 -1.89 -0.72 116.42 116.20 2ajp h ASP 235 Ca 0.09 0.09 0.10 0.00 0.02 0.00 0.00 57.03 57.32 2ajp h ASP 235 Cb 0.31 0.22 -0.08 0.00 0.22 0.00 0.00 39.33 40.01 2ajp h ASP 235 CO 0.00 -0.20 0.59 0.25 -1.72 0.00 0.00 179.24 178.17 2ajp h LEU 236 N -0.19 0.90 0.33 1.55 5.85 -0.63 -0.97 115.31 122.15 2ajp h LEU 236 Ca 0.09 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 2ajp h LEU 236 Cb 0.32 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.20 2ajp h LEU 236 CO -0.24 0.52 -0.20 0.15 -0.34 0.00 0.00 178.44 178.33 2ajp h PHE 237 N 1.00 -0.52 -0.54 1.25 -0.00 -0.26 -0.53 116.94 117.33 2ajp h PHE 237 Ca 0.45 -0.01 0.08 0.00 -0.00 0.00 0.00 57.97 58.49 2ajp h PHE 237 Cb 0.35 0.19 -0.06 0.00 -0.00 0.00 0.00 35.95 36.42 2ajp h PHE 237 CO -0.02 -0.31 0.20 0.00 -0.00 0.00 0.00 178.31 178.18 2ajp h ALA 238 N 0.14 0.68 -0.61 2.41 0.00 -0.54 0.13 119.26 121.48 2ajp h ALA 238 Ca -0.03 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 2ajp h ALA 238 Cb 0.42 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2ajp h ALA 238 CO 0.04 -0.20 0.02 0.00 0.00 0.00 0.00 179.25 179.11 2ajp h ALA 239 N 1.37 0.82 -0.11 0.00 0.00 -1.00 -1.43 119.26 118.90 2ajp h ALA 239 Ca 0.27 -0.30 -0.21 0.00 0.00 0.00 0.00 54.91 54.66 2ajp h ALA 239 Cb 0.30 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.87 2ajp h ALA 239 CO -0.27 0.65 -0.79 1.98 0.00 0.00 0.00 179.25 180.82 2ajp h MET 240 N 0.96 0.64 -0.66 0.00 -1.53 -0.58 -0.54 114.93 113.23 2ajp h MET 240 Ca 0.17 -0.54 0.04 0.00 -3.44 0.00 0.00 59.70 55.93 2ajp h MET 240 Cb 0.54 0.12 -0.05 0.00 -0.55 0.00 0.00 31.60 31.66 2ajp h MET 240 CO 0.03 1.16 0.39 1.25 0.14 0.00 0.00 176.91 179.88 2ajp h LEU 241 N 0.43 0.62 -0.00 3.39 5.85 -0.62 0.64 115.31 125.62 2ajp h LEU 241 Ca -0.05 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.71 2ajp h LEU 241 Cb 1.40 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.28 2ajp h LEU 241 CO 0.15 0.42 -0.18 0.25 -0.34 0.00 0.00 178.44 178.75 2ajp h LEU 242 N 0.76 -0.51 -0.19 2.25 6.46 -1.00 0.22 115.31 123.29 2ajp h LEU 242 Ca 0.27 0.07 0.01 0.00 -0.12 0.00 0.00 57.88 58.12 2ajp h LEU 242 Cb 0.08 0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 40.21 2ajp h LEU 242 CO -0.13 -0.24 0.10 0.00 -0.62 0.00 0.00 178.44 177.56 2ajp h ALA 243 N 0.64 0.23 0.02 1.25 0.00 -0.25 -2.25 119.26 118.90 2ajp h ALA 243 Ca 0.06 -0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.75 2ajp h ALA 243 Cb 0.36 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2ajp h ALA 243 CO -0.17 -0.31 -0.96 -1.49 0.00 0.00 0.00 179.25 176.32 2ajp h TRP 244 N 0.22 0.40 0.00 0.00 4.06 0.54 -2.53 115.95 118.64 2ajp h TRP 244 Ca 0.08 -0.23 -0.05 0.00 2.06 0.00 0.00 58.89 60.75 2ajp h TRP 244 Cb 0.00 -0.04 -0.01 0.00 -1.00 0.00 0.00 29.16 28.12 2ajp h TRP 244 CO -0.08 1.07 -0.23 1.79 -3.56 0.00 0.00 178.44 177.43 2ajp h THR 245 N 0.13 0.76 0.40 1.49 1.35 -0.62 0.66 112.91 117.08 2ajp h THR 245 Ca -0.07 -0.95 -0.02 0.00 -0.55 0.00 0.00 66.41 64.83 2ajp h THR 245 Cb 1.61 1.58 0.00 0.00 -1.73 0.00 0.00 68.15 69.61 2ajp h THR 245 CO 0.15 0.23 -0.21 -0.74 -0.25 0.00 0.00 175.52 174.70 2ajp h HIS 246 N 0.00 -0.54 -0.27 4.73 -0.00 -0.99 -2.66 115.15 115.41 2ajp h HIS 246 Ca -0.00 -0.01 -0.09 0.00 -0.00 0.00 0.00 60.37 60.27 2ajp h HIS 246 Cb 0.57 0.19 -0.01 0.00 -0.00 0.00 0.00 27.41 28.15 2ajp h HIS 246 CO 0.00 -0.33 -0.22 0.87 -0.00 0.00 0.00 177.93 178.24 2ajp h LYS 247 N -0.56 0.51 -2.37 5.26 1.57 -1.25 -3.36 116.57 116.36 2ajp h LYS 247 Ca -0.05 -0.18 -0.60 0.00 -1.87 0.00 0.00 60.65 57.95 2ajp h LYS 247 Cb 0.44 -0.03 -0.41 0.00 0.08 0.00 0.00 32.23 32.30 2ajp h LYS 247 CO 0.07 0.70 -0.67 0.72 -0.57 0.00 0.00 179.45 179.70 2ajp n HIS 248 N -4.14 2.81 0.32 -1.35 8.25 0.20 -4.98 115.22 116.34 2ajp n HIS 248 Ca -0.00 -4.07 0.15 0.00 -0.26 0.00 0.00 57.72 53.54 2ajp n HIS 248 Cb 0.39 -0.51 0.54 0.00 1.12 0.00 0.00 29.99 31.54 2ajp n HIS 248 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2ajp h PRO 249 N 4.49 0.00 -0.93 -0.41 0.13 -1.64 -2.75 132.00 130.89 2ajp h PRO 249 Ca 0.18 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.75 2ajp h PRO 249 Cb 0.72 0.00 -0.43 0.00 0.13 0.00 0.00 31.00 31.42 2ajp h PRO 249 CO 0.74 0.00 -0.80 0.09 -0.23 0.00 0.00 178.00 177.79 2ajp n ASN 250 N -2.86 4.82 -2.90 1.44 3.02 -1.26 -4.86 115.26 112.66 2ajp n ASN 250 Ca 0.02 -3.71 -0.12 0.00 -0.03 0.00 0.00 54.58 50.73 2ajp n ASN 250 Cb 0.34 -0.37 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 2ajp n ASN 250 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2ajp n ASN 251 N -0.65 -2.17 0.00 6.41 2.85 -1.04 -4.99 115.26 115.67 2ajp n ASN 251 Ca 0.42 -3.02 0.01 0.00 -0.11 0.00 0.00 54.58 51.89 2ajp n ASN 251 Cb 0.89 1.09 0.34 0.00 1.24 0.00 0.00 39.78 43.35 2ajp n ASN 251 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 2ajp h LEU 252 N 4.35 0.47 0.11 1.20 5.85 -1.89 -1.47 115.31 123.93 2ajp h LEU 252 Ca -0.02 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.64 2ajp h LEU 252 Cb 1.00 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.88 2ajp h LEU 252 CO 0.29 0.48 -0.37 0.50 -0.34 0.00 0.00 178.44 179.00 2ajp h LYS 253 N 0.51 -0.52 -0.51 1.25 3.64 -1.95 -0.64 116.57 118.35 2ajp h LYS 253 Ca 0.12 0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.51 2ajp h LYS 253 Cb 0.19 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 2ajp h LYS 253 CO -0.00 -0.35 0.20 0.28 -2.27 0.00 0.00 179.45 177.30 2ajp h VAL 254 N -0.54 1.22 -0.76 2.00 2.07 -1.92 -1.37 116.25 116.95 2ajp h VAL 254 Ca -0.01 -0.68 0.06 0.00 0.82 0.00 0.00 66.70 66.89 2ajp h VAL 254 Cb 0.54 0.70 -0.06 0.00 -1.52 0.00 0.00 31.29 30.95 2ajp h VAL 254 CO -0.19 0.26 0.45 0.00 0.02 0.00 0.00 177.57 178.10 2ajp h ALA 255 N 1.05 1.03 -0.14 1.67 0.00 -1.27 -0.92 119.26 120.69 2ajp h ALA 255 Ca 0.17 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 2ajp h ALA 255 Cb 0.21 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2ajp h ALA 255 CO -0.01 0.15 -0.41 0.00 0.00 0.00 0.00 179.25 178.98 2ajp h GLU 257 N 0.26 0.67 -0.10 0.00 5.08 -0.48 -1.27 114.58 118.72 2ajp h GLU 257 Ca 0.02 -0.38 -0.18 0.00 -1.00 0.00 0.00 59.36 57.83 2ajp h GLU 257 Cb 0.83 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.10 2ajp h GLU 257 CO 0.07 0.99 -0.70 0.87 -1.00 0.00 0.00 179.01 179.24 2ajp h LYS 258 N 0.53 0.45 0.68 2.33 1.57 -1.19 -1.01 116.57 119.93 2ajp h LYS 258 Ca 0.03 -0.35 -0.03 0.00 -1.87 0.00 0.00 60.65 58.42 2ajp h LYS 258 Cb 1.01 0.07 0.01 0.00 0.08 0.00 0.00 32.23 33.39 2ajp h LYS 258 CO 0.09 0.98 -0.32 1.15 -0.57 0.00 0.00 179.45 180.78 2ajp h THR 259 N 0.32 0.21 -0.61 -0.16 2.02 -1.29 -2.07 112.91 111.32 2ajp h THR 259 Ca -0.03 -0.24 -0.06 0.00 0.77 0.00 0.00 66.41 66.85 2ajp h THR 259 Cb 1.27 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 67.92 2ajp h THR 259 CO 0.12 0.02 0.13 0.58 0.37 0.00 0.00 175.52 176.74 2ajp h VAL 260 N -1.10 1.25 -0.71 3.16 2.07 -1.30 -2.51 116.25 117.10 2ajp h VAL 260 Ca -0.09 -0.93 0.01 0.00 0.82 0.00 0.00 66.70 66.51 2ajp h VAL 260 Cb 0.73 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 2ajp h VAL 260 CO 0.15 0.35 0.47 0.28 0.02 0.00 0.00 177.57 178.84 2ajp h SER 261 N 0.93 0.81 -0.91 0.57 0.02 -1.21 0.28 113.55 114.04 2ajp h SER 261 Ca 0.19 -0.02 0.14 0.00 -0.84 0.00 0.00 61.79 61.27 2ajp h SER 261 Cb 0.36 -0.20 -0.09 0.00 0.14 0.00 0.00 62.40 62.61 2ajp h SER 261 CO 0.00 0.58 0.52 0.74 -1.14 0.00 0.00 176.83 177.53 2ajp h THR 262 N 0.95 0.79 -0.43 -2.27 2.02 -1.10 -1.10 112.91 111.78 2ajp h THR 262 Ca 0.26 -0.26 -0.09 0.00 0.77 0.00 0.00 66.41 67.10 2ajp h THR 262 Cb -0.09 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.28 2ajp h THR 262 CO -0.06 0.14 -0.08 -0.07 0.37 0.00 0.00 175.52 175.81 2ajp h LEU 263 N 0.75 0.81 0.38 2.58 3.38 -0.74 -1.52 115.31 120.96 2ajp h LEU 263 Ca 0.48 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 2ajp h LEU 263 Cb 0.62 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 2ajp h LEU 263 CO -0.33 0.97 -0.48 -0.74 0.09 0.00 0.00 178.44 177.95 2ajp h HIS 264 N 0.63 -1.34 -0.42 1.13 2.76 -0.28 -0.47 115.15 117.16 2ajp h HIS 264 Ca 0.11 0.02 0.08 0.00 -2.20 0.00 0.00 60.37 58.37 2ajp h HIS 264 Cb 0.60 0.53 -0.06 0.00 1.55 0.00 0.00 27.41 30.03 2ajp h HIS 264 CO 0.05 -0.61 0.03 0.45 -1.30 0.00 0.00 177.93 176.55 2ajp h HIS 265 N -0.88 0.04 -0.63 5.26 3.86 -1.17 0.50 115.15 122.13 2ajp h HIS 265 Ca -0.05 0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.22 2ajp h HIS 265 Cb 0.79 0.05 -0.04 0.00 1.06 0.00 0.00 27.41 29.26 2ajp h HIS 265 CO -0.29 -0.05 0.38 0.28 0.86 0.00 0.00 177.93 179.11 2ajp h VAL 266 N 0.15 1.06 -0.03 2.45 2.07 -1.23 -2.02 116.25 118.70 2ajp h VAL 266 Ca 0.21 -0.26 -0.12 0.00 0.82 0.00 0.00 66.70 67.35 2ajp h VAL 266 Cb 0.29 0.25 0.01 0.00 -1.52 0.00 0.00 31.29 30.32 2ajp h VAL 266 CO -0.32 0.14 -0.45 -0.07 0.02 0.00 0.00 177.57 176.89 2ajp h LEU 267 N 0.75 0.44 -0.67 2.57 3.38 -0.11 -1.95 115.31 119.73 2ajp h LEU 267 Ca 0.26 -0.72 0.08 0.00 0.09 0.00 0.00 57.88 57.58 2ajp h LEU 267 Cb 0.04 -0.13 -0.11 0.00 0.09 0.00 0.00 40.66 40.55 2ajp h LEU 267 CO -0.11 1.10 -0.52 -0.61 0.09 0.00 0.00 178.44 178.39 2ajp h GLN 268 N -0.18 -0.20 -0.84 1.13 5.75 -0.02 0.45 115.11 121.20 2ajp h GLN 268 Ca -0.05 0.01 0.05 0.00 -0.15 0.00 0.00 58.65 58.51 2ajp h GLN 268 Cb 1.15 0.05 -0.05 0.00 1.07 0.00 0.00 27.48 29.69 2ajp h GLN 268 CO 0.09 -0.13 0.55 -0.09 -2.65 0.00 0.00 178.83 176.60 2ajp h ARG 269 N -0.21 0.97 -0.29 1.69 2.43 -1.33 -0.79 114.38 116.86 2ajp h ARG 269 Ca 0.15 -0.06 -0.10 0.00 -0.81 0.00 0.00 59.98 59.16 2ajp h ARG 269 Cb 0.54 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 2ajp h ARG 269 CO -0.75 0.64 -0.20 1.15 -1.51 0.00 0.00 179.97 179.31 2ajp h THR 270 N 1.00 1.30 -0.28 0.20 2.02 -0.31 -0.90 112.91 115.95 2ajp h THR 270 Ca 0.35 -1.33 -0.18 0.00 0.77 0.00 0.00 66.41 66.01 2ajp h THR 270 Cb 0.11 1.54 -0.00 0.00 -1.74 0.00 0.00 68.15 68.05 2ajp h THR 270 CO -0.11 0.42 -0.55 -0.29 0.37 0.00 0.00 175.52 175.37 2ajp h ILE 271 N 0.38 1.28 -0.86 3.11 6.09 0.30 0.19 117.51 128.01 2ajp h ILE 271 Ca 0.06 -1.74 0.01 0.00 -1.37 0.00 0.00 64.86 61.82 2ajp h ILE 271 Cb 0.74 1.64 -0.04 0.00 0.47 0.00 0.00 36.82 39.63 2ajp h ILE 271 CO 0.05 0.56 0.57 1.56 -3.07 0.00 0.00 178.15 177.83 2ajp h GLN 272 N 0.64 1.13 -0.22 2.19 4.20 -1.16 -0.85 115.11 121.04 2ajp h GLN 272 Ca 0.01 -0.07 -0.19 0.00 0.06 0.00 0.00 58.65 58.47 2ajp h GLN 272 Cb 1.15 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.68 2ajp h GLN 272 CO 0.12 0.74 -0.60 0.00 -0.67 0.00 0.00 178.83 178.42 2ajp h ALA 274 N 0.61 0.38 -0.58 0.00 0.00 -0.40 -1.24 119.26 118.04 2ajp h ALA 274 Ca -0.01 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.78 2ajp h ALA 274 Cb 1.22 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.85 2ajp h ALA 274 CO 0.13 0.04 0.30 0.87 0.00 0.00 0.00 179.25 180.59 2ajp h LYS 275 N 0.30 0.55 -0.56 0.00 1.57 -1.25 -1.41 116.57 115.78 2ajp h LYS 275 Ca 0.09 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.79 2ajp h LYS 275 Cb 0.29 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 2ajp h LYS 275 CO 0.00 0.37 0.15 0.00 -0.57 0.00 0.00 179.45 179.40 2ajp h ALA 276 N 1.32 0.73 -0.64 3.86 0.00 -1.32 -1.11 119.26 122.10 2ajp h ALA 276 Ca 0.26 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 2ajp h ALA 276 Cb 0.18 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2ajp h ALA 276 CO -0.18 0.41 0.16 1.96 0.00 0.00 0.00 179.25 181.60 2ajp h GLN 277 N 0.78 1.02 0.00 0.00 7.50 -1.03 -3.21 115.11 120.18 2ajp h GLN 277 Ca 0.18 -0.25 0.00 0.00 0.50 0.00 0.00 58.65 59.08 2ajp h GLN 277 Cb 0.31 -0.13 0.00 0.00 0.05 0.00 0.00 27.48 27.71 2ajp h GLN 277 CO -0.00 0.92 -0.45 0.00 -1.50 0.00 0.00 178.83 177.80 2ajp n ALA 278 N -2.43 3.07 0.00 3.87 0.00 -0.55 -5.06 120.51 119.41 2ajp n ALA 278 Ca 0.04 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.22 2ajp n ALA 278 Cb 0.25 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.49 2ajp n ALA 278 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ajp n GLY 279 N 1.43 -0.71 3.66 0.00 0.00 -0.43 -4.50 105.19 104.63 2ajp n GLY 279 Ca 0.05 -1.43 -0.43 0.00 0.00 0.00 0.00 46.02 44.21 2ajp n GLY 279 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ajp n GLU 280 N 0.12 2.72 0.00 1.61 4.71 -1.26 -2.40 120.64 126.15 2ajp n GLU 280 Ca 0.00 0.98 0.00 0.00 -0.01 0.00 0.00 57.16 58.13 2ajp n GLU 280 Cb 0.00 -3.00 0.00 0.00 -1.01 0.00 0.00 31.44 27.43 2ajp n GLU 280 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2ajp n GLY 281 N 4.66 2.91 3.77 0.62 0.00 -1.26 -5.09 105.19 110.80 2ajp n GLY 281 Ca 0.21 -0.81 -0.39 0.00 0.00 0.00 0.00 46.02 45.03 2ajp n GLY 281 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ajp s VAL 282 N 0.00 3.01 0.00 1.61 1.01 -1.01 -5.02 120.40 120.00 2ajp s VAL 282 Ca 0.00 0.90 -0.30 0.00 0.00 0.00 0.00 61.98 62.58 2ajp s VAL 282 Cb 0.00 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 2ajp s VAL 282 CO 0.00 0.13 0.98 0.00 0.00 0.00 0.00 175.10 176.21 2ajp s ARG 283 N -2.11 4.56 0.63 2.72 3.03 -1.26 -4.75 118.95 121.77 2ajp s ARG 283 Ca 0.54 1.42 -0.15 0.00 2.03 0.00 0.00 55.73 59.57 2ajp s ARG 283 Cb -0.34 -3.46 -0.02 0.00 -1.03 0.00 0.00 34.95 30.11 2ajp s ARG 283 CO 0.43 -0.05 1.07 -2.14 -1.13 0.00 0.00 175.30 173.49 2ajp s PRO 284 N 1.00 3.08 0.87 3.89 0.02 -1.26 -5.04 135.00 137.55 2ajp s PRO 284 Ca 0.52 1.23 -0.12 0.00 0.02 0.00 0.00 61.00 62.65 2ajp s PRO 284 Cb -0.21 -2.00 0.11 0.00 0.02 0.00 0.00 34.50 32.43 2ajp s PRO 284 CO 0.28 -1.01 1.15 -1.54 -0.33 0.00 0.00 177.00 175.55 2ajp s SER 285 N -2.85 3.93 0.39 2.53 1.04 -1.26 -4.92 113.70 112.56 2ajp s SER 285 Ca 0.64 0.92 0.10 0.00 0.48 0.00 0.00 55.95 58.09 2ajp s SER 285 Cb -0.17 -1.47 0.89 0.00 0.10 0.00 0.00 66.02 65.37 2ajp s SER 285 CO 0.41 -2.28 1.94 -0.65 0.98 0.00 0.00 173.24 173.64 2ajp h PRO 286 N -1.31 0.57 -0.55 4.02 0.11 -1.94 -2.52 132.00 130.37 2ajp h PRO 286 Ca -0.49 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 2ajp h PRO 286 Cb 1.33 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 2ajp h PRO 286 CO 0.63 0.38 0.33 1.98 -0.21 0.00 0.00 178.00 181.11 2ajp h MET 287 N 0.58 0.74 0.00 1.05 4.05 -1.97 -2.37 114.93 117.01 2ajp h MET 287 Ca 0.34 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.69 2ajp h MET 287 Cb 0.52 -0.16 0.00 0.00 -0.80 0.00 0.00 31.60 31.17 2ajp h MET 287 CO -0.12 0.53 0.00 1.96 0.23 0.00 0.00 176.91 179.51 2ajp h GLN 288 N 0.74 0.00 -0.20 0.39 4.20 -1.86 -3.12 115.11 115.26 2ajp h GLN 288 Ca 0.20 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.91 2ajp h GLN 288 Cb -0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.76 2ajp h GLN 288 CO -0.04 0.00 0.00 1.28 -0.67 0.00 0.00 178.83 179.40 2ajp n LEU 289 N -2.34 2.62 -4.73 1.46 4.77 -0.91 -4.09 117.00 113.79 2ajp n LEU 289 Ca 0.04 -1.03 -0.42 0.00 -0.03 0.00 0.00 56.01 54.57 2ajp n LEU 289 Cb 0.35 -0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.30 2ajp n LEU 289 CO 0.26 0.52 1.27 -1.61 -1.33 0.00 0.00 177.39 176.50 2ajp s GLU 290 N -1.76 4.17 -0.14 3.23 0.41 -1.14 -4.72 118.70 118.74 2ajp s GLU 290 Ca 0.34 2.49 -0.39 0.00 -0.41 0.00 0.00 54.97 57.00 2ajp s GLU 290 Cb 0.20 -3.09 -0.17 0.00 -1.78 0.00 0.00 34.13 29.30 2ajp s GLU 290 CO 0.30 -0.64 1.54 1.28 -0.49 0.00 0.00 175.26 177.25 2ajp n LEU 291 N 3.33 1.85 -4.20 1.80 4.77 -1.26 -4.82 117.00 118.47 2ajp n LEU 291 Ca 0.12 1.11 -0.43 0.00 -0.03 0.00 0.00 56.01 56.78 2ajp n LEU 291 Cb 0.37 -1.12 -0.00 0.00 -2.33 0.00 0.00 43.42 40.34 2ajp n LEU 291 CO 0.63 -0.79 2.29 0.54 -1.33 0.00 0.00 177.39 178.72 2ajp n ARG 292 N 3.95 3.04 0.09 3.23 5.12 -1.26 -4.74 116.66 126.09 2ajp n ARG 292 Ca 0.23 -2.98 -0.12 0.00 -1.93 0.00 0.00 57.85 53.05 2ajp n ARG 292 Cb 0.13 -3.41 -0.08 0.00 -1.16 0.00 0.00 32.46 27.94 2ajp n ARG 292 CO 0.00 0.00 0.00 1.98 -1.93 0.00 0.00 177.63 177.68 2ajp h MET 293 N 6.89 -0.26 -0.30 5.56 4.05 -1.92 -3.05 114.93 125.89 2ajp h MET 293 Ca 0.50 0.02 0.03 0.00 -0.28 0.00 0.00 59.70 59.97 2ajp h MET 293 Cb 0.77 0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 31.60 2ajp h MET 293 CO 1.65 0.12 0.11 0.28 0.23 0.00 0.00 176.91 179.29 2ajp h VAL 294 N -0.73 0.92 0.00 -5.77 2.07 -2.01 -0.71 116.25 110.03 2ajp h VAL 294 Ca -0.03 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.41 2ajp h VAL 294 Cb 0.50 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 2ajp h VAL 294 CO 0.05 0.04 0.00 1.56 0.02 0.00 0.00 177.57 179.24 2ajp h GLN 295 N 0.24 0.00 -0.64 1.57 7.50 -1.96 -2.47 115.11 119.35 2ajp h GLN 295 Ca 0.13 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.28 2ajp h GLN 295 Cb 0.10 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.63 2ajp h GLN 295 CO -0.13 0.00 0.00 0.43 -1.50 0.00 0.00 178.83 177.63 2ajp n SER 296 N -2.64 4.02 -0.14 1.46 7.64 -0.27 -4.59 113.62 119.10 2ajp n SER 296 Ca -0.01 -2.44 -0.10 0.00 1.01 0.00 0.00 58.87 57.34 2ajp n SER 296 Cb 0.12 -0.54 -0.04 0.00 -1.01 0.00 0.00 64.21 62.74 2ajp n SER 296 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2ajp h LYS 297 N 3.17 -0.30 -0.96 1.43 3.64 -1.48 -1.50 116.57 120.58 2ajp h LYS 297 Ca 0.00 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.42 2ajp h LYS 297 Cb 1.30 0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 33.13 2ajp h LYS 297 CO 0.23 -0.20 0.63 0.00 -2.27 0.00 0.00 179.45 177.85 2ajp h ARG 298 N -0.31 1.22 0.00 1.90 2.47 -1.87 -1.81 114.38 115.98 2ajp h ARG 298 Ca 0.15 -0.07 -0.07 0.00 -1.26 0.00 0.00 59.98 58.73 2ajp h ARG 298 Cb 0.58 -0.28 -0.01 0.00 -1.65 0.00 0.00 29.97 28.61 2ajp h ARG 298 CO -0.59 0.81 -0.32 -0.44 0.56 0.00 0.00 179.97 179.99 2ajp h ASP 299 N 1.26 0.00 -0.17 7.04 3.45 -1.65 -2.73 116.42 123.62 2ajp h ASP 299 Ca 0.36 0.00 -0.17 0.00 0.43 0.00 0.00 57.03 57.65 2ajp h ASP 299 Cb -0.08 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 38.69 2ajp h ASP 299 CO -0.09 0.32 -0.57 0.40 -1.57 0.00 0.00 179.24 177.73 2ajp h ILE 300 N 0.00 1.31 -0.87 0.35 2.04 -0.48 -2.40 117.51 117.46 2ajp h ILE 300 Ca -0.00 -1.81 -0.01 0.00 1.00 0.00 0.00 64.86 64.04 2ajp h ILE 300 Cb 0.78 1.96 -0.04 0.00 -0.74 0.00 0.00 36.82 38.78 2ajp h ILE 300 CO 0.04 0.57 0.52 -0.33 0.00 0.00 0.00 178.15 178.95 2ajp h GLU 301 N 0.38 1.18 -1.44 2.37 5.08 -1.33 -3.40 114.58 117.42 2ajp h GLU 301 Ca -0.02 -0.11 -0.27 0.00 -1.00 0.00 0.00 59.36 57.95 2ajp h GLU 301 Cb 1.20 -0.25 -0.24 0.00 0.50 0.00 0.00 28.75 29.97 2ajp h GLU 301 CO 0.12 0.83 -0.63 0.34 -1.00 0.00 0.00 179.01 178.68 2ajp s ASP 302 N -6.11 -0.45 0.28 1.42 2.15 -1.04 -5.05 116.67 107.88 2ajp s ASP 302 Ca -0.13 -1.92 -0.29 0.00 0.43 0.00 0.00 52.55 50.64 2ajp s ASP 302 Cb 0.16 1.18 -0.10 0.00 -0.30 0.00 0.00 42.92 43.87 2ajp s ASP 302 CO 0.81 -0.12 1.13 -2.16 -0.17 0.00 0.00 175.17 174.67 2ajp s PRO 303 N 0.87 4.59 -0.13 4.34 0.04 -0.90 -4.62 135.00 139.19 2ajp s PRO 303 Ca 0.27 1.86 -0.29 0.00 0.04 0.00 0.00 61.00 62.88 2ajp s PRO 303 Cb -0.02 -3.18 -0.01 0.00 0.04 0.00 0.00 34.50 31.33 2ajp s PRO 303 CO -0.08 0.13 1.13 -2.00 0.04 0.00 0.00 177.00 176.22 2ajp s GLU 304 N -1.38 4.32 -0.06 4.56 2.12 -1.26 -4.99 118.70 122.02 2ajp s GLU 304 Ca 0.46 1.53 -0.30 0.00 0.36 0.00 0.00 54.97 57.02 2ajp s GLU 304 Cb -0.33 -3.62 -0.05 0.00 0.26 0.00 0.00 34.13 30.39 2ajp s GLU 304 CO 0.42 -0.51 1.67 0.42 -0.54 0.00 0.00 175.26 176.71 2ajp s ILE 305 N 2.67 3.57 0.00 -3.70 -1.09 -1.26 -4.82 121.20 116.57 2ajp s ILE 305 Ca 0.51 0.68 0.00 0.00 -2.23 0.00 0.00 60.65 59.61 2ajp s ILE 305 Cb -0.20 -3.45 0.00 0.00 -1.58 0.00 0.00 42.46 37.23 2ajp s ILE 305 CO 0.16 -0.07 0.53 1.33 -1.23 0.00 0.00 174.94 175.65 2ajp n VAL 306 N 5.54 0.11 -4.46 2.92 0.24 -1.26 -4.99 118.33 116.43 2ajp n VAL 306 Ca 0.17 -0.52 -0.20 0.00 -2.04 0.00 0.00 64.34 61.75 2ajp n VAL 306 Cb 0.43 1.00 -0.15 0.00 -1.47 0.00 0.00 33.84 33.65 2ajp n VAL 306 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2ajp s VAL 307 N -0.11 0.85 -0.09 3.34 1.01 -1.26 -5.09 120.40 119.06 2ajp s VAL 307 Ca 0.00 -0.45 -0.05 0.00 0.00 0.00 0.00 61.98 61.48 2ajp s VAL 307 Cb 0.00 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.62 2ajp s VAL 307 CO 0.00 0.25 0.11 -1.10 0.00 0.00 0.00 175.10 174.36 2ajp s GLN 308 N -0.16 3.31 0.07 2.72 -1.52 -1.26 -4.89 119.66 117.93 2ajp s GLN 308 Ca 0.03 -0.25 -0.24 0.00 -1.95 0.00 0.00 55.36 52.95 2ajp s GLN 308 Cb -0.05 -3.07 -0.06 0.00 -0.22 0.00 0.00 33.01 29.61 2ajp s GLN 308 CO -0.00 0.74 0.72 0.00 -0.25 0.00 0.00 175.29 176.50 2ajp s ALA 309 N -1.06 3.43 -0.18 6.09 0.00 -1.26 -4.74 121.76 124.04 2ajp s ALA 309 Ca 0.17 0.24 -0.28 0.00 0.00 0.00 0.00 51.96 52.09 2ajp s ALA 309 Cb -0.12 -2.92 -0.00 0.00 0.00 0.00 0.00 23.12 20.08 2ajp s ALA 309 CO 0.07 0.16 0.98 0.99 0.00 0.00 0.00 175.76 177.96 2ajp s THR 310 N -0.42 4.76 0.51 0.00 2.01 0.53 -4.91 115.64 118.13 2ajp s THR 310 Ca 0.36 1.93 -0.21 0.00 0.31 0.00 0.00 61.69 64.08 2ajp s THR 310 Cb -0.21 -4.27 -0.06 0.00 0.01 0.00 0.00 72.50 67.97 2ajp s THR 310 CO 0.22 -0.07 1.17 -0.69 -0.69 0.00 0.00 174.62 174.56 2ajp s VAL 311 N 2.58 3.00 0.00 3.82 1.01 -1.26 -0.74 120.40 128.80 2ajp s VAL 311 Ca 0.44 0.69 0.00 0.00 0.00 0.00 0.00 61.98 63.11 2ajp s VAL 311 Cb -0.16 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 32.90 2ajp s VAL 311 CO 0.11 -0.07 0.33 -0.11 0.00 0.00 0.00 175.10 175.36