#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pwm s ILE 2 N 0.00 2.15 0.11 0.52 1.01 -1.26 -1.04 121.20 122.70 2pwm s ILE 2 Ca 0.00 -1.03 0.03 0.00 0.00 0.00 0.00 60.65 59.65 2pwm s ILE 2 Cb 0.00 -1.79 -0.04 0.00 0.01 0.00 0.00 42.46 40.64 2pwm s ILE 2 CO 0.00 0.57 -0.08 0.68 0.00 0.00 0.00 174.94 176.11 2pwm s VAL 3 N -0.17 0.87 -0.06 2.92 -7.23 0.14 -4.91 120.40 111.96 2pwm s VAL 3 Ca -0.03 -1.93 -0.16 0.00 -1.81 0.00 0.00 61.98 58.06 2pwm s VAL 3 Cb -0.14 -1.68 -0.05 0.00 0.56 0.00 0.00 36.38 35.07 2pwm s VAL 3 CO 0.04 -0.79 0.41 -1.58 -0.31 0.00 0.00 175.10 172.87 2pwm s GLN 4 N -3.65 4.09 0.74 4.82 0.74 -1.26 -0.23 119.66 124.90 2pwm s GLN 4 Ca 0.12 0.38 -0.06 0.00 0.05 0.00 0.00 55.36 55.86 2pwm s GLN 4 Cb 0.03 -3.31 0.16 0.00 1.10 0.00 0.00 33.01 30.99 2pwm s GLN 4 CO -0.02 0.47 1.01 0.27 -0.55 0.00 0.00 175.29 176.46 2pwm n ASN 5 N 2.61 0.81 0.23 6.67 0.23 -0.03 -4.92 115.26 120.86 2pwm n ASN 5 Ca -0.12 -1.81 0.16 0.00 -0.53 0.00 0.00 54.58 52.28 2pwm n ASN 5 Cb 0.52 -0.70 0.74 0.00 -2.08 0.00 0.00 39.78 38.25 2pwm n ASN 5 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 2pwm h LEU 6 N 0.00 0.00 -0.14 -4.53 3.38 -1.98 -1.86 115.31 110.18 2pwm h LEU 6 Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.64 2pwm h LEU 6 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 2pwm h LEU 6 CO 0.30 0.00 -0.13 0.00 0.09 0.00 0.00 178.44 178.71 2pwm n GLN 7 N -2.67 0.45 -0.42 1.13 3.00 -1.26 -4.91 117.38 112.70 2pwm n GLN 7 Ca -0.00 -0.14 0.00 0.00 -0.01 0.00 0.00 57.00 56.85 2pwm n GLN 7 Cb 0.17 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.91 2pwm n GLN 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2pwm n GLY 8 N 1.35 0.78 3.87 1.08 0.00 -0.70 -5.06 105.19 106.51 2pwm n GLY 8 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 2pwm n GLY 8 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2pwm s GLN 9 N -0.58 3.28 -0.10 1.61 -0.21 -1.26 -4.83 119.66 117.57 2pwm s GLN 9 Ca 0.00 -0.50 -0.25 0.00 0.02 0.00 0.00 55.36 54.64 2pwm s GLN 9 Cb 0.00 -2.96 -0.03 0.00 1.00 0.00 0.00 33.01 31.03 2pwm s GLN 9 CO 0.00 0.61 0.78 -1.64 -2.12 0.00 0.00 175.29 172.92 2pwm s MET 10 N -2.39 4.40 0.08 2.91 -1.94 -1.26 -0.85 119.30 120.25 2pwm s MET 10 Ca 0.32 0.99 -0.00 0.00 -1.71 0.00 0.00 55.69 55.30 2pwm s MET 10 Cb -0.13 -3.50 -0.04 0.00 2.01 0.00 0.00 34.83 33.18 2pwm s MET 10 CO 0.25 -0.09 -0.02 0.14 -0.01 0.00 0.00 175.02 175.28 2pwm s VAL 11 N 1.32 0.37 0.25 -6.03 -7.23 0.68 -4.96 120.40 104.79 2pwm s VAL 11 Ca 0.40 -1.87 -0.30 0.00 -1.81 0.00 0.00 61.98 58.39 2pwm s VAL 11 Cb -0.18 -1.69 -0.09 0.00 0.56 0.00 0.00 36.38 34.98 2pwm s VAL 11 CO 0.17 -0.85 1.01 -2.28 -0.31 0.00 0.00 175.10 172.85 2pwm s HIS 12 N -3.84 3.81 -0.09 2.82 2.46 -1.26 -0.68 115.29 118.52 2pwm s HIS 12 Ca 0.12 1.82 0.04 0.00 0.47 0.00 0.00 55.06 57.52 2pwm s HIS 12 Cb 0.07 -3.11 -0.00 0.00 -0.13 0.00 0.00 32.58 29.41 2pwm s HIS 12 CO -0.06 0.03 -0.24 -1.14 -2.47 0.00 0.00 174.74 170.87 2pwm s GLN 13 N -1.19 2.84 0.74 2.88 0.74 -0.20 -4.84 119.66 120.62 2pwm s GLN 13 Ca 0.43 -0.86 -0.12 0.00 0.05 0.00 0.00 55.36 54.86 2pwm s GLN 13 Cb -0.28 -2.21 0.04 0.00 1.10 0.00 0.00 33.01 31.66 2pwm s GLN 13 CO 0.35 0.22 1.09 0.00 -0.55 0.00 0.00 175.29 176.41 2pwm s ALA 14 N 0.23 2.33 0.27 1.58 0.00 -1.26 -0.03 121.76 124.89 2pwm s ALA 14 Ca -0.15 0.34 -0.29 0.00 0.00 0.00 0.00 51.96 51.86 2pwm s ALA 14 Cb -0.17 -3.28 -0.14 0.00 0.00 0.00 0.00 23.12 19.53 2pwm s ALA 14 CO 0.07 -1.60 1.20 -0.89 0.00 0.00 0.00 175.76 174.54 2pwm n ILE 15 N -3.19 1.59 -1.96 0.00 5.41 -1.26 -4.58 119.36 115.37 2pwm n ILE 15 Ca 0.09 -0.40 -0.31 0.00 1.00 0.00 0.00 62.75 63.13 2pwm n ILE 15 Cb 0.53 -1.24 0.01 0.00 -0.71 0.00 0.00 39.64 38.22 2pwm n ILE 15 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 2pwm s SER 16 N -0.21 6.14 0.23 4.38 1.04 -1.26 -4.84 113.70 119.18 2pwm s SER 16 Ca 0.62 1.52 -0.10 0.00 0.48 0.00 0.00 55.95 58.47 2pwm s SER 16 Cb -0.67 -2.49 0.35 0.00 0.10 0.00 0.00 66.02 63.31 2pwm s SER 16 CO 0.57 -0.93 1.62 -0.65 0.98 0.00 0.00 173.24 174.84 2pwm h PRO 17 N -0.04 0.04 -0.63 4.02 0.11 -1.99 -1.38 132.00 132.15 2pwm h PRO 17 Ca -0.45 -0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.79 2pwm h PRO 17 Cb 1.19 -0.01 -0.10 0.00 0.11 0.00 0.00 31.00 32.20 2pwm h PRO 17 CO 0.61 0.03 0.07 0.00 -0.21 0.00 0.00 178.00 178.50 2pwm h ARG 18 N 0.05 0.18 -0.08 1.05 3.08 -1.99 0.12 114.38 116.78 2pwm h ARG 18 Ca 0.37 -0.01 -0.20 0.00 0.07 0.00 0.00 59.98 60.20 2pwm h ARG 18 Cb 0.61 -0.04 0.01 0.00 0.08 0.00 0.00 29.97 30.63 2pwm h ARG 18 CO -0.69 0.12 -0.75 1.15 -1.07 0.00 0.00 179.97 178.73 2pwm h THR 19 N 0.19 1.32 -0.37 2.04 2.02 -1.76 -1.96 112.91 114.39 2pwm h THR 19 Ca 0.34 -2.01 -0.15 0.00 0.77 0.00 0.00 66.41 65.35 2pwm h THR 19 Cb 0.54 2.21 -0.01 0.00 -1.74 0.00 0.00 68.15 69.15 2pwm h THR 19 CO -0.48 0.62 -0.37 0.25 0.37 0.00 0.00 175.52 175.90 2pwm h LEU 20 N 0.31 0.93 -0.24 2.58 5.85 -1.07 -1.63 115.31 122.04 2pwm h LEU 20 Ca -0.07 -0.42 0.05 0.00 0.84 0.00 0.00 57.88 58.29 2pwm h LEU 20 Cb 1.40 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 42.11 2pwm h LEU 20 CO 0.15 1.19 -0.10 0.78 -0.34 0.00 0.00 178.44 180.12 2pwm h ASN 21 N 0.72 -0.34 -0.79 1.25 2.35 -0.78 -1.70 115.58 116.29 2pwm h ASN 21 Ca 0.06 0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.88 2pwm h ASN 21 Cb 0.95 0.20 -0.04 0.00 0.05 0.00 0.00 38.32 39.48 2pwm h ASN 21 CO 0.09 -0.13 0.43 0.00 -1.65 0.00 0.00 177.43 176.17 2pwm h ALA 22 N 1.15 1.25 -0.52 -0.83 0.00 -1.13 -1.37 119.26 117.82 2pwm h ALA 22 Ca 0.12 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 2pwm h ALA 22 Cb 0.25 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2pwm h ALA 22 CO -0.28 0.60 -0.06 2.35 0.00 0.00 0.00 179.25 181.86 2pwm h TRP 23 N 1.12 1.06 -0.95 0.00 2.91 -0.97 -0.87 115.95 118.26 2pwm h TRP 23 Ca 0.28 -0.21 -0.00 0.00 1.13 0.00 0.00 58.89 60.09 2pwm h TRP 23 Cb 0.04 -0.27 -0.05 0.00 -0.51 0.00 0.00 29.16 28.37 2pwm h TRP 23 CO 0.01 0.99 0.58 0.28 -1.03 0.00 0.00 178.44 179.27 2pwm h VAL 24 N 0.82 1.26 -0.61 2.65 2.07 -1.00 -0.59 116.25 120.84 2pwm h VAL 24 Ca 0.14 -0.54 -0.10 0.00 0.82 0.00 0.00 66.70 67.02 2pwm h VAL 24 Cb 0.61 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 2pwm h VAL 24 CO 0.04 0.27 -0.00 0.11 0.02 0.00 0.00 177.57 178.00 2pwm h LYS 25 N 1.30 1.08 -0.35 1.57 1.57 -0.89 0.14 116.57 120.99 2pwm h LYS 25 Ca 0.34 -0.34 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2pwm h LYS 25 Cb -0.07 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 2pwm h LYS 25 CO -0.07 1.05 0.18 0.28 -0.57 0.00 0.00 179.45 180.33 2pwm h VAL 26 N 0.98 1.14 -0.23 0.50 2.07 -0.92 -1.52 116.25 118.28 2pwm h VAL 26 Ca 0.17 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 2pwm h VAL 26 Cb 0.57 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 2pwm h VAL 26 CO 0.03 0.15 0.14 0.58 0.02 0.00 0.00 177.57 178.49 2pwm h VAL 27 N 0.43 1.09 -0.89 2.57 2.07 -0.79 0.18 116.25 120.91 2pwm h VAL 27 Ca 0.12 -0.22 0.08 0.00 0.82 0.00 0.00 66.70 67.50 2pwm h VAL 27 Cb 0.07 0.82 -0.07 0.00 -1.52 0.00 0.00 31.29 30.60 2pwm h VAL 27 CO -0.02 0.09 0.55 -0.33 0.02 0.00 0.00 177.57 177.88 2pwm h GLU 28 N 0.28 0.94 0.09 1.57 4.39 -0.85 -1.76 114.58 119.24 2pwm h GLU 28 Ca 0.08 -0.06 -0.29 0.00 0.34 0.00 0.00 59.36 59.44 2pwm h GLU 28 Cb 0.02 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.45 2pwm h GLU 28 CO -0.02 0.62 -1.44 1.49 -1.16 0.00 0.00 179.01 178.50 2pwm h GLU 29 N 0.96 0.19 0.00 2.33 4.81 -1.08 -3.43 114.58 118.36 2pwm h GLU 29 Ca 0.40 -0.32 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 2pwm h GLU 29 Cb 0.25 0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.75 2pwm h GLU 29 CO -0.20 1.04 -0.13 1.63 -0.73 0.00 0.00 179.01 180.62 2pwm n LYS 30 N -3.40 4.36 -2.14 1.92 5.02 0.62 -5.05 118.16 119.49 2pwm n LYS 30 Ca -0.13 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.74 2pwm n LYS 30 Cb 1.03 -0.44 -0.03 0.00 -0.02 0.00 0.00 35.03 35.57 2pwm n LYS 30 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pwm s ALA 31 N -0.83 3.61 -0.46 7.82 0.00 -0.67 -0.33 121.76 130.90 2pwm s ALA 31 Ca 0.00 1.16 0.07 0.00 0.00 0.00 0.00 51.96 53.19 2pwm s ALA 31 Cb 0.00 -3.54 0.39 0.00 0.00 0.00 0.00 23.12 19.97 2pwm s ALA 31 CO 0.00 -0.63 1.00 1.19 0.00 0.00 0.00 175.76 177.32 2pwm n PHE 32 N 3.79 3.04 -0.87 0.00 3.72 -1.26 -5.01 117.46 120.86 2pwm n PHE 32 Ca 0.11 -3.42 -0.31 0.00 -0.05 0.00 0.00 57.45 53.79 2pwm n PHE 32 Cb 0.42 -0.28 0.15 0.00 -0.94 0.00 0.00 39.48 38.83 2pwm n PHE 32 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2pwm s SER 33 N -3.37 3.17 0.45 4.37 1.04 0.55 -4.11 113.70 115.80 2pwm s SER 33 Ca 0.45 1.96 0.22 0.00 0.48 0.00 0.00 55.95 59.05 2pwm s SER 33 Cb 0.37 -2.49 1.20 0.00 0.10 0.00 0.00 66.02 65.20 2pwm s SER 33 CO -0.13 -2.91 1.85 -0.65 0.98 0.00 0.00 173.24 172.38 2pwm h PRO 34 N -1.73 0.28 0.00 4.02 0.11 -1.85 -0.62 132.00 132.20 2pwm h PRO 34 Ca -0.46 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 2pwm h PRO 34 Cb 1.27 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 2pwm h PRO 34 CO 0.46 0.18 -0.02 0.93 -0.21 0.00 0.00 178.00 179.34 2pwm h GLU 35 N 0.29 0.00 0.00 1.05 3.07 -1.91 -2.10 114.58 114.98 2pwm h GLU 35 Ca 0.48 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.31 2pwm h GLU 35 Cb 1.38 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.29 2pwm h GLU 35 CO -0.15 0.02 -0.11 -0.24 -1.40 0.00 0.00 179.01 177.14 2pwm h VAL 36 N 0.00 1.01 0.09 3.13 3.04 -1.32 -3.34 116.25 118.86 2pwm h VAL 36 Ca -0.00 -0.39 -0.00 0.00 -1.01 0.00 0.00 66.70 65.29 2pwm h VAL 36 Cb 0.08 1.22 0.00 0.00 -2.01 0.00 0.00 31.29 30.58 2pwm h VAL 36 CO 0.00 0.11 -0.04 0.40 -1.01 0.00 0.00 177.57 177.03 2pwm h ILE 37 N 0.00 1.17 -0.86 3.17 2.04 -1.56 0.38 117.51 121.85 2pwm h ILE 37 Ca -0.00 -1.19 0.18 0.00 1.00 0.00 0.00 64.86 64.84 2pwm h ILE 37 Cb 0.21 1.91 -0.06 0.00 -0.74 0.00 0.00 36.82 38.13 2pwm h ILE 37 CO 0.01 0.28 0.57 -0.65 0.00 0.00 0.00 178.15 178.36 2pwm h PRO 38 N -0.68 0.47 -0.22 2.37 0.11 -1.76 -0.66 132.00 131.62 2pwm h PRO 38 Ca -0.01 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.97 2pwm h PRO 38 Cb 0.55 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.55 2pwm h PRO 38 CO 0.02 0.31 -0.25 0.52 -0.21 0.00 0.00 178.00 178.39 2pwm h MET 39 N 0.48 0.56 -0.28 1.05 2.86 -1.56 -2.24 114.93 115.80 2pwm h MET 39 Ca 0.44 -0.31 -0.01 0.00 -2.06 0.00 0.00 59.70 57.76 2pwm h MET 39 Cb 0.98 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.64 2pwm h MET 39 CO -0.17 0.90 0.12 0.35 1.06 0.00 0.00 176.91 179.17 2pwm h PHE 40 N 0.24 0.41 -0.60 -0.22 3.57 -0.40 -0.85 116.94 119.09 2pwm h PHE 40 Ca 0.03 -0.03 0.12 0.00 3.53 0.00 0.00 57.97 61.63 2pwm h PHE 40 Cb 0.81 -0.12 -0.10 0.00 2.79 0.00 0.00 35.95 39.33 2pwm h PHE 40 CO 0.08 0.40 0.05 0.77 -2.23 0.00 0.00 178.31 177.38 2pwm h SER 41 N 0.30 -0.16 -0.01 0.41 0.02 -1.08 -0.57 113.55 112.47 2pwm h SER 41 Ca 0.09 0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 61.17 2pwm h SER 41 Cb 0.15 0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.91 2pwm h SER 41 CO -0.01 -0.07 -0.01 0.00 -1.14 0.00 0.00 176.83 175.60 2pwm h ALA 42 N 1.52 0.02 0.00 3.77 0.00 -1.29 -3.20 119.26 120.08 2pwm h ALA 42 Ca 0.32 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2pwm h ALA 42 Cb 0.50 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2pwm h ALA 42 CO -0.47 -0.22 -0.21 -0.07 0.00 0.00 0.00 179.25 178.28 2pwm h LEU 43 N -0.48 0.00 -0.88 0.00 3.38 -0.95 -1.76 115.31 114.63 2pwm h LEU 43 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2pwm h LEU 43 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2pwm h LEU 43 CO 0.00 0.21 0.00 -1.54 0.09 0.00 0.00 178.44 177.20 2pwm n SER 44 N -3.86 1.30 -4.64 -0.43 3.41 -0.24 -4.95 113.62 104.21 2pwm n SER 44 Ca -0.02 -1.78 -0.51 0.00 -0.26 0.00 0.00 58.87 56.30 2pwm n SER 44 Cb 0.30 -0.12 -0.05 0.00 -0.26 0.00 0.00 64.21 64.08 2pwm n SER 44 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2pwm n GLU 45 N 0.13 1.56 -0.96 4.33 2.13 -0.66 -1.75 120.64 125.41 2pwm n GLU 45 Ca 0.13 0.57 0.00 0.00 0.66 0.00 0.00 57.16 58.51 2pwm n GLU 45 Cb 0.24 -2.28 0.00 0.00 0.27 0.00 0.00 31.44 29.67 2pwm n GLU 45 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2pwm n GLY 46 N 3.29 0.67 3.79 8.31 0.00 -1.26 -4.99 105.19 114.99 2pwm n GLY 46 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 2pwm n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pwm s ALA 47 N -2.80 3.05 0.69 4.61 0.00 -0.72 -4.19 121.76 122.39 2pwm s ALA 47 Ca 0.00 0.61 -0.10 0.00 0.00 0.00 0.00 51.96 52.48 2pwm s ALA 47 Cb 0.00 -3.24 0.02 0.00 0.00 0.00 0.00 23.12 19.90 2pwm s ALA 47 CO 0.00 -0.14 1.05 0.95 0.00 0.00 0.00 175.76 177.62 2pwm s THR 48 N -1.80 3.27 0.31 0.00 -4.23 -1.26 -4.40 115.64 107.53 2pwm s THR 48 Ca 0.60 0.24 0.07 0.00 -1.18 0.00 0.00 61.69 61.41 2pwm s THR 48 Cb -0.18 -3.38 0.30 0.00 1.34 0.00 0.00 72.50 70.57 2pwm s THR 48 CO 0.23 -0.47 1.73 -0.65 -0.54 0.00 0.00 174.62 174.92 2pwm h PRO 49 N -0.57 0.54 -0.40 3.99 0.11 -1.85 -1.11 132.00 132.71 2pwm h PRO 49 Ca -0.45 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.63 2pwm h PRO 49 Cb 1.27 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 2pwm h PRO 49 CO 0.63 0.36 0.25 0.37 -0.21 0.00 0.00 178.00 179.40 2pwm h GLN 50 N 0.55 0.50 -0.86 1.05 4.15 -1.90 -0.73 115.11 117.88 2pwm h GLN 50 Ca 0.60 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.96 2pwm h GLN 50 Cb 1.10 -0.11 -0.04 0.00 0.21 0.00 0.00 27.48 28.64 2pwm h GLN 50 CO -0.47 0.33 0.43 -0.44 -1.93 0.00 0.00 178.83 176.75 2pwm h ASP 51 N 0.52 1.10 -0.63 -0.69 3.32 -1.76 -2.03 116.42 116.25 2pwm h ASP 51 Ca 0.15 -0.12 0.01 0.00 0.02 0.00 0.00 57.03 57.09 2pwm h ASP 51 Cb -0.04 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.19 2pwm h ASP 51 CO -0.04 0.92 0.41 -0.07 -1.72 0.00 0.00 179.24 178.73 2pwm h LEU 52 N 1.21 0.70 -1.26 1.55 3.38 -0.79 -1.16 115.31 118.94 2pwm h LEU 52 Ca 0.30 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.20 2pwm h LEU 52 Cb 0.09 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2pwm h LEU 52 CO -0.04 0.50 -0.05 0.78 0.09 0.00 0.00 178.44 179.72 2pwm h ASN 53 N 0.83 0.42 -0.31 -0.43 -0.26 -0.79 -1.54 115.58 113.49 2pwm h ASN 53 Ca 0.24 -0.08 -0.04 0.00 -0.56 0.00 0.00 56.30 55.85 2pwm h ASN 53 Cb -0.07 -0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 37.07 2pwm h ASN 53 CO -0.06 0.52 0.05 0.74 -1.06 0.00 0.00 177.43 177.62 2pwm h THR 54 N 0.43 1.24 -0.72 2.81 2.02 -0.93 -0.11 112.91 117.64 2pwm h THR 54 Ca 0.09 -0.82 0.04 0.00 0.77 0.00 0.00 66.41 66.49 2pwm h THR 54 Cb 0.36 1.17 -0.05 0.00 -1.74 0.00 0.00 68.15 67.89 2pwm h THR 54 CO 0.02 0.27 0.44 0.24 0.37 0.00 0.00 175.52 176.86 2pwm h MET 55 N 0.34 0.82 -0.39 6.66 2.86 -0.87 -2.55 114.93 121.80 2pwm h MET 55 Ca 0.09 -0.05 -0.13 0.00 -2.06 0.00 0.00 59.70 57.56 2pwm h MET 55 Cb 0.35 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 2pwm h MET 55 CO 0.01 0.54 -0.26 -0.07 1.06 0.00 0.00 176.91 178.18 2pwm h LEU 56 N 0.84 0.83 -0.36 1.22 3.38 -1.03 -3.02 115.31 117.17 2pwm h LEU 56 Ca 0.30 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2pwm h LEU 56 Cb 0.08 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.60 2pwm h LEU 56 CO -0.13 1.05 0.00 0.59 0.09 0.00 0.00 178.44 180.03 2pwm n ASN 57 N -4.09 0.56 -0.10 -0.43 5.03 -0.08 -2.59 115.26 113.55 2pwm n ASN 57 Ca -0.00 -1.30 0.12 0.00 0.87 0.00 0.00 54.58 54.27 2pwm n ASN 57 Cb 0.46 -0.01 0.24 0.00 -1.02 0.00 0.00 39.78 39.44 2pwm n ASN 57 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 2pwm n THR 58 N -0.51 0.00 -2.09 3.41 -2.24 -0.99 -4.90 114.28 106.96 2pwm n THR 58 Ca 0.20 -0.05 -0.43 0.00 -2.27 0.00 0.00 64.05 61.50 2pwm n THR 58 Cb 0.18 0.43 -0.03 0.00 -2.10 0.00 0.00 70.33 68.82 2pwm n THR 58 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2pwm s VAL 59 N -2.81 3.71 0.06 2.28 1.01 -1.07 -5.00 120.40 118.58 2pwm s VAL 59 Ca 0.15 0.84 0.02 0.00 0.00 0.00 0.00 61.98 62.99 2pwm s VAL 59 Cb 0.18 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 2pwm s VAL 59 CO 0.66 -0.13 0.12 -0.83 0.00 0.00 0.00 175.10 174.91 2pwm s GLY 60 N 3.44 2.07 0.00 4.51 0.00 -1.26 -4.95 107.32 111.14 2pwm s GLY 60 Ca 0.70 -0.94 0.00 0.00 0.00 0.00 0.00 44.72 44.48 2pwm s GLY 60 CO 0.27 -0.91 0.00 0.61 0.00 0.00 0.00 173.10 173.07 2pwm n GLY 61 N 0.49 -0.67 4.41 0.20 0.00 -1.26 -4.94 105.19 103.42 2pwm n GLY 61 Ca -0.08 -1.14 -0.38 0.00 0.00 0.00 0.00 46.02 44.42 2pwm n GLY 61 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2pwm n HIS 62 N 0.00 -1.32 -0.26 1.61 -0.00 -1.26 -4.80 115.22 109.19 2pwm n HIS 62 Ca 0.00 0.70 -0.05 0.00 -0.00 0.00 0.00 57.72 58.37 2pwm n HIS 62 Cb 0.00 -2.36 0.06 0.00 -0.00 0.00 0.00 29.99 27.69 2pwm n HIS 62 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.34 178.30 2pwm h GLN 63 N -1.23 0.93 -0.52 -0.41 4.20 -1.95 -1.25 115.11 114.89 2pwm h GLN 63 Ca -0.61 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 57.99 2pwm h GLN 63 Cb 1.39 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 28.94 2pwm h GLN 63 CO 0.82 0.62 0.11 0.00 -0.67 0.00 0.00 178.83 179.71 2pwm h ALA 64 N 1.27 0.68 -0.61 3.87 0.00 -2.00 -1.67 119.26 120.80 2pwm h ALA 64 Ca 0.27 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 2pwm h ALA 64 Cb -0.10 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 2pwm h ALA 64 CO -0.06 0.39 0.10 0.00 0.00 0.00 0.00 179.25 179.68 2pwm h ALA 65 N 0.99 1.03 -0.46 0.00 0.00 -1.89 -1.90 119.26 117.04 2pwm h ALA 65 Ca 0.16 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 2pwm h ALA 65 Cb 0.36 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2pwm h ALA 65 CO 0.00 0.62 -0.19 0.52 0.00 0.00 0.00 179.25 180.21 2pwm h MET 66 N 0.93 0.94 -0.60 0.00 2.07 -0.97 0.16 114.93 117.46 2pwm h MET 66 Ca 0.19 -0.40 0.01 0.00 -2.07 0.00 0.00 59.70 57.43 2pwm h MET 66 Cb 0.40 -0.03 -0.03 0.00 -1.87 0.00 0.00 31.60 30.06 2pwm h MET 66 CO 0.01 1.06 0.39 0.37 1.07 0.00 0.00 176.91 179.81 2pwm h GLN 67 N 0.78 0.76 -0.37 1.72 5.75 -1.19 -0.83 115.11 121.74 2pwm h GLN 67 Ca 0.11 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.54 2pwm h GLN 67 Cb 0.76 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 29.12 2pwm h GLN 67 CO 0.06 0.51 0.14 0.52 -2.65 0.00 0.00 178.83 177.41 2pwm h MET 68 N 0.79 0.56 -0.32 1.69 2.86 -0.96 -1.47 114.93 118.09 2pwm h MET 68 Ca 0.23 -0.11 0.06 0.00 -2.06 0.00 0.00 59.70 57.81 2pwm h MET 68 Cb -0.06 -0.09 -0.05 0.00 0.06 0.00 0.00 31.60 31.46 2pwm h MET 68 CO -0.06 0.55 0.01 1.25 1.06 0.00 0.00 176.91 179.72 2pwm h LEU 69 N 0.45 -0.12 -0.77 1.22 5.85 -0.76 -0.82 115.31 120.36 2pwm h LEU 69 Ca 0.12 0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.94 2pwm h LEU 69 Cb 0.21 0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 2pwm h LEU 69 CO -0.01 -0.02 0.50 0.50 -0.34 0.00 0.00 178.44 179.06 2pwm h LYS 70 N 0.10 0.95 -0.37 1.25 3.64 -1.00 -1.02 116.57 120.11 2pwm h LYS 70 Ca 0.16 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.49 2pwm h LYS 70 Cb 0.21 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 2pwm h LYS 70 CO -0.26 0.63 0.22 0.93 -2.27 0.00 0.00 179.45 178.70 2pwm h GLU 71 N 0.98 0.43 -0.78 1.90 5.08 -0.67 -1.46 114.58 120.07 2pwm h GLU 71 Ca 0.30 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 2pwm h GLU 71 Cb -0.02 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.10 2pwm h GLU 71 CO -0.10 0.29 0.48 1.15 -1.00 0.00 0.00 179.01 179.83 2pwm h THR 72 N 0.45 1.21 -0.20 1.13 2.02 -0.72 -1.00 112.91 115.80 2pwm h THR 72 Ca 0.15 -0.44 -0.02 0.00 0.77 0.00 0.00 66.41 66.87 2pwm h THR 72 Cb 0.00 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.51 2pwm h THR 72 CO -0.07 0.21 0.05 0.40 0.37 0.00 0.00 175.52 176.49 2pwm h ILE 73 N 1.06 1.20 -0.86 3.11 2.04 -0.99 -0.97 117.51 122.10 2pwm h ILE 73 Ca 0.28 -0.66 -0.02 0.00 1.00 0.00 0.00 64.86 65.46 2pwm h ILE 73 Cb -0.07 1.25 -0.04 0.00 -0.74 0.00 0.00 36.82 37.22 2pwm h ILE 73 CO -0.06 0.21 0.46 0.78 0.00 0.00 0.00 178.15 179.53 2pwm h ASN 74 N 0.14 1.08 -0.31 1.72 2.35 -0.96 0.19 115.58 119.80 2pwm h ASN 74 Ca 0.06 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 2pwm h ASN 74 Cb 0.27 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 2pwm h ASN 74 CO 0.00 0.88 0.20 -0.08 -1.65 0.00 0.00 177.43 176.78 2pwm h GLU 75 N 1.21 0.42 -0.87 0.81 4.81 -1.08 -2.10 114.58 117.77 2pwm h GLU 75 Ca 0.30 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.48 2pwm h GLU 75 Cb 0.05 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.30 2pwm h GLU 75 CO -0.05 0.29 0.46 0.93 -0.73 0.00 0.00 179.01 179.92 2pwm h GLU 76 N 0.42 1.21 -0.19 1.92 4.39 -0.73 -1.84 114.58 119.75 2pwm h GLU 76 Ca 0.11 -0.15 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 2pwm h GLU 76 Cb -0.03 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 28.38 2pwm h GLU 76 CO -0.02 0.89 0.10 0.00 -1.16 0.00 0.00 179.01 178.82 2pwm h ALA 77 N 1.29 0.25 -0.72 3.43 0.00 -0.87 0.60 119.26 123.24 2pwm h ALA 77 Ca 0.30 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 2pwm h ALA 77 Cb 0.04 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2pwm h ALA 77 CO -0.05 -0.20 0.19 0.00 0.00 0.00 0.00 179.25 179.19 2pwm h ALA 78 N 0.97 0.96 -0.53 0.00 0.00 -1.31 -2.77 119.26 116.58 2pwm h ALA 78 Ca 0.07 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 2pwm h ALA 78 Cb 0.10 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2pwm h ALA 78 CO -0.01 0.67 -0.02 0.93 0.00 0.00 0.00 179.25 180.83 2pwm h GLU 79 N 1.09 0.91 -0.62 0.00 4.39 -1.22 -2.70 114.58 116.43 2pwm h GLU 79 Ca 0.23 -0.27 0.12 0.00 0.34 0.00 0.00 59.36 59.78 2pwm h GLU 79 Cb 0.36 -0.09 -0.10 0.00 -0.10 0.00 0.00 28.75 28.82 2pwm h GLU 79 CO 0.00 0.91 0.07 2.35 -1.16 0.00 0.00 179.01 181.19 2pwm h TRP 80 N 0.84 0.09 -0.44 4.33 2.91 -0.66 -0.94 115.95 122.09 2pwm h TRP 80 Ca 0.15 0.04 -0.02 0.00 1.13 0.00 0.00 58.89 60.20 2pwm h TRP 80 Cb 0.52 0.05 -0.02 0.00 -0.51 0.00 0.00 29.16 29.20 2pwm h TRP 80 CO 0.03 -0.10 0.21 -0.44 -1.03 0.00 0.00 178.44 177.11 2pwm h ASP 81 N 0.19 0.57 -0.53 2.65 3.32 -1.22 -0.39 116.42 121.01 2pwm h ASP 81 Ca 0.33 -0.12 -0.06 0.00 0.02 0.00 0.00 57.03 57.19 2pwm h ASP 81 Cb 0.52 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.89 2pwm h ASP 81 CO -0.47 0.53 0.10 -0.09 -1.72 0.00 0.00 179.24 177.59 2pwm h ARG 82 N 0.57 0.92 -0.00 3.56 2.43 -1.24 -2.73 114.38 117.88 2pwm h ARG 82 Ca 0.15 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 2pwm h ARG 82 Cb 0.11 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 2pwm h ARG 82 CO -0.02 0.85 -0.25 1.28 -1.51 0.00 0.00 179.97 180.32 2pwm n LEU 83 N -4.24 0.41 -3.33 3.80 4.77 -0.39 -4.38 117.00 113.64 2pwm n LEU 83 Ca 0.04 0.11 -0.26 0.00 -0.03 0.00 0.00 56.01 55.87 2pwm n LEU 83 Cb 0.26 -0.29 -0.08 0.00 -2.33 0.00 0.00 43.42 40.99 2pwm n LEU 83 CO 0.41 0.09 -0.10 1.41 -1.33 0.00 0.00 177.39 177.87 2pwm n HIS 84 N -1.29 1.74 -1.98 -1.77 8.25 -0.20 -5.07 115.22 114.89 2pwm n HIS 84 Ca 0.09 -3.88 -0.40 0.00 -0.26 0.00 0.00 57.72 53.27 2pwm n HIS 84 Cb 0.32 -0.44 -0.00 0.00 1.12 0.00 0.00 29.99 30.99 2pwm n HIS 84 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 2pwm s PRO 85 N -1.80 4.03 0.19 -0.41 0.02 -1.24 -4.79 135.00 131.01 2pwm s PRO 85 Ca 0.37 2.28 0.02 0.00 0.02 0.00 0.00 61.00 63.69 2pwm s PRO 85 Cb 0.15 -2.84 -0.05 0.00 0.02 0.00 0.00 34.50 31.78 2pwm s PRO 85 CO -0.07 -0.49 0.02 0.14 -0.33 0.00 0.00 177.00 176.28 2pwm s VAL 86 N -1.20 0.65 0.88 3.83 -7.23 -1.26 -5.16 120.40 110.91 2pwm s VAL 86 Ca 0.55 -1.99 -0.12 0.00 -1.81 0.00 0.00 61.98 58.62 2pwm s VAL 86 Cb -0.41 -2.25 0.12 0.00 0.56 0.00 0.00 36.38 34.40 2pwm s VAL 86 CO 0.53 -0.36 1.11 -1.00 -0.31 0.00 0.00 175.10 175.07 2pwm s HIS 87 N -3.68 2.54 0.23 2.82 3.76 -1.26 -4.97 115.29 114.73 2pwm s HIS 87 Ca 0.27 1.05 -0.07 0.00 -0.15 0.00 0.00 55.06 56.16 2pwm s HIS 87 Cb 0.06 -3.24 0.20 0.00 1.11 0.00 0.00 32.58 30.72 2pwm s HIS 87 CO 0.06 -2.22 1.85 0.00 -0.85 0.00 0.00 174.74 173.58 2pwm h ALA 88 N -1.41 1.14 -1.32 -1.40 0.00 -2.06 -3.44 119.26 110.77 2pwm h ALA 88 Ca -0.50 -0.14 -0.59 0.00 0.00 0.00 0.00 54.91 53.68 2pwm h ALA 88 Cb 1.30 -0.36 -0.13 0.00 0.00 0.00 0.00 17.79 18.60 2pwm h ALA 88 CO 0.59 0.66 -0.51 0.20 0.00 0.00 0.00 179.25 180.19 2pwm s GLY 89 N -3.24 2.74 0.33 0.00 0.00 -1.26 -5.12 107.32 100.77 2pwm s GLY 89 Ca -0.13 -1.01 -0.29 0.00 0.00 0.00 0.00 44.72 43.30 2pwm s GLY 89 CO 0.83 -1.92 1.36 2.56 0.00 0.00 0.00 173.10 175.93 2pwm s PRO 90 N -3.74 4.29 0.06 2.90 0.04 -1.26 -4.96 135.00 132.33 2pwm s PRO 90 Ca 0.19 2.31 -0.18 0.00 0.04 0.00 0.00 61.00 63.36 2pwm s PRO 90 Cb 0.02 -3.05 -0.13 0.00 0.04 0.00 0.00 34.50 31.38 2pwm s PRO 90 CO 0.12 -0.29 1.35 0.82 0.04 0.00 0.00 177.00 179.04 2pwm h ILE 91 N 3.06 1.33 -3.37 0.56 2.04 -1.98 -3.43 117.51 115.73 2pwm h ILE 91 Ca -0.49 -1.47 -0.55 0.00 1.00 0.00 0.00 64.86 63.35 2pwm h ILE 91 Cb 1.23 1.82 -0.04 0.00 -0.74 0.00 0.00 36.82 39.10 2pwm h ILE 91 CO 0.66 0.45 -0.06 -1.61 0.00 0.00 0.00 178.15 177.59 2pwm s GLU 92 N -4.19 3.99 0.13 2.37 0.41 -1.26 -5.07 118.70 115.07 2pwm s GLU 92 Ca -0.13 0.51 -0.31 0.00 -0.41 0.00 0.00 54.97 54.63 2pwm s GLU 92 Cb 0.07 -2.88 -0.08 0.00 -1.78 0.00 0.00 34.13 29.46 2pwm s GLU 92 CO 0.80 0.44 1.32 -2.14 -0.49 0.00 0.00 175.26 175.19 2pwm s PRO 93 N -2.09 4.37 0.00 0.39 0.02 -1.26 -3.08 135.00 133.35 2pwm s PRO 93 Ca 0.40 2.00 0.00 0.00 0.02 0.00 0.00 61.00 63.42 2pwm s PRO 93 Cb -0.15 -3.25 0.00 0.00 0.02 0.00 0.00 34.50 31.12 2pwm s PRO 93 CO 0.19 -0.34 0.00 0.41 -0.33 0.00 0.00 177.00 176.93 2pwm n GLY 94 N 3.10 0.95 3.69 0.52 0.00 -1.26 -5.02 105.19 107.18 2pwm n GLY 94 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 2pwm n GLY 94 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2pwm n GLN 95 N -2.08 2.15 -1.85 1.61 6.02 -1.18 -4.91 117.38 117.14 2pwm n GLN 95 Ca 0.00 0.76 -0.41 0.00 -0.01 0.00 0.00 57.00 57.34 2pwm n GLN 95 Cb 0.00 -2.40 -0.03 0.00 1.02 0.00 0.00 30.24 28.83 2pwm n GLN 95 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 2pwm s MET 96 N -1.04 2.89 0.60 -1.09 -2.45 -1.26 -4.95 119.30 112.00 2pwm s MET 96 Ca 0.62 1.36 -0.20 0.00 -1.25 0.00 0.00 55.69 56.22 2pwm s MET 96 Cb -0.60 -4.35 -0.04 0.00 1.25 0.00 0.00 34.83 31.09 2pwm s MET 96 CO 0.55 -2.38 1.21 2.89 1.05 0.00 0.00 175.02 178.34 2pwm n ARG 97 N 8.78 1.24 -2.18 4.11 1.85 -1.26 -5.00 116.66 124.20 2pwm n ARG 97 Ca 0.26 0.47 -0.41 0.00 -1.00 0.00 0.00 57.85 57.18 2pwm n ARG 97 Cb 0.49 -2.43 -0.03 0.00 -1.05 0.00 0.00 32.46 29.45 2pwm n ARG 97 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 2pwm s GLU 98 N -3.00 4.40 0.52 2.89 0.41 -1.26 -5.01 118.70 117.65 2pwm s GLU 98 Ca 0.77 2.14 -0.21 0.00 -0.41 0.00 0.00 54.97 57.25 2pwm s GLU 98 Cb -0.41 -3.11 -0.06 0.00 -1.78 0.00 0.00 34.13 28.78 2pwm s GLU 98 CO 0.45 -0.14 1.19 -1.25 -0.49 0.00 0.00 175.26 175.02 2pwm s PRO 99 N -1.47 3.43 0.60 0.39 0.04 -1.26 -5.05 135.00 131.68 2pwm s PRO 99 Ca 0.50 1.81 0.04 0.00 0.04 0.00 0.00 61.00 63.39 2pwm s PRO 99 Cb -0.38 -2.20 0.08 0.00 0.04 0.00 0.00 34.50 32.04 2pwm s PRO 99 CO 0.49 -0.83 0.82 1.03 0.04 0.00 0.00 177.00 178.55 2pwm s ARG 100 N -2.99 2.21 0.22 4.56 1.81 -1.26 -4.96 118.95 118.55 2pwm s ARG 100 Ca 0.70 -1.25 -0.08 0.00 -1.72 0.00 0.00 55.73 53.37 2pwm s ARG 100 Cb -0.29 -2.53 0.26 0.00 -0.45 0.00 0.00 34.95 31.94 2pwm s ARG 100 CO 0.34 -0.95 1.85 0.78 -0.68 0.00 0.00 175.30 176.64 2pwm h GLY 101 N -0.01 1.14 2.00 -3.53 0.00 -1.92 -1.32 103.07 99.42 2pwm h GLY 101 Ca -0.36 -0.35 -0.02 0.00 0.00 0.00 0.00 47.33 46.60 2pwm h GLY 101 CO 0.43 0.27 -0.11 1.48 0.00 0.00 0.00 176.54 178.61 2pwm h SER 102 N 0.90 0.00 -0.23 0.19 4.64 -1.96 -0.76 113.55 116.34 2pwm h SER 102 Ca 0.33 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.54 2pwm h SER 102 Cb 0.09 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.18 2pwm h SER 102 CO -0.14 0.11 -0.26 0.44 -0.87 0.00 0.00 176.83 176.11 2pwm h ASP 103 N 0.00 0.63 -0.78 4.97 3.32 -1.62 -0.46 116.42 122.47 2pwm h ASP 103 Ca -0.00 -0.49 -0.04 0.00 0.02 0.00 0.00 57.03 56.52 2pwm h ASP 103 Cb 0.24 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.58 2pwm h ASP 103 CO 0.01 0.99 0.32 0.40 -1.72 0.00 0.00 179.24 179.24 2pwm h ILE 104 N 0.28 1.26 0.00 0.35 2.04 -0.63 -1.54 117.51 119.27 2pwm h ILE 104 Ca 0.03 -0.81 0.00 0.00 1.00 0.00 0.00 64.86 65.08 2pwm h ILE 104 Cb 0.82 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 2pwm h ILE 104 CO 0.06 0.33 0.00 0.00 0.00 0.00 0.00 178.15 178.55 2pwm n ALA 105 N -2.44 2.36 -0.95 1.87 0.00 -0.35 -4.63 120.51 116.38 2pwm n ALA 105 Ca 0.07 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2pwm n ALA 105 Cb 0.18 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.21 2pwm n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pwm n GLY 106 N 0.78 0.83 0.11 0.00 0.00 -0.58 -4.89 105.19 101.45 2pwm n GLY 106 Ca 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.16 2pwm n GLY 106 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2pwm h THR 107 N 0.00 1.00 -0.01 2.61 1.35 -1.34 -3.36 112.91 113.17 2pwm h THR 107 Ca 0.00 -2.49 0.00 0.00 -0.55 0.00 0.00 66.41 63.37 2pwm h THR 107 Cb 0.00 2.46 0.00 0.00 -1.73 0.00 0.00 68.15 68.88 2pwm h THR 107 CO 0.00 0.57 -0.01 0.35 -0.25 0.00 0.00 175.52 176.18 2pwm n THR 108 N -3.19 0.00 -4.15 6.82 -2.24 -0.74 -5.02 114.28 105.76 2pwm n THR 108 Ca -0.01 -0.50 -0.30 0.00 -2.27 0.00 0.00 64.05 60.97 2pwm n THR 108 Cb 0.82 1.13 -0.08 0.00 -2.10 0.00 0.00 70.33 70.10 2pwm n THR 108 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2pwm s SER 109 N -0.57 5.05 0.59 3.42 1.04 -1.26 -4.87 113.70 117.10 2pwm s SER 109 Ca 0.07 -0.15 -0.14 0.00 0.48 0.00 0.00 55.95 56.21 2pwm s SER 109 Cb 0.05 -1.22 -0.04 0.00 0.10 0.00 0.00 66.02 64.91 2pwm s SER 109 CO 0.09 0.19 1.03 0.42 0.98 0.00 0.00 173.24 175.94 2pwm s THR 110 N -1.28 4.32 0.25 2.02 -4.23 -1.26 -4.91 115.64 110.55 2pwm s THR 110 Ca 0.25 0.95 -0.02 0.00 -1.18 0.00 0.00 61.69 61.69 2pwm s THR 110 Cb -0.12 -3.62 0.23 0.00 1.34 0.00 0.00 72.50 70.33 2pwm s THR 110 CO 0.17 -0.79 1.75 0.25 -0.54 0.00 0.00 174.62 175.47 2pwm h LEU 111 N 0.21 0.45 -0.97 4.79 5.85 -1.99 -0.44 115.31 123.21 2pwm h LEU 111 Ca -0.46 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.35 2pwm h LEU 111 Cb 1.20 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.21 2pwm h LEU 111 CO 0.60 0.19 0.52 -0.61 -0.34 0.00 0.00 178.44 178.80 2pwm h GLN 112 N 0.57 1.23 -0.57 1.25 5.75 -1.99 -1.53 115.11 119.82 2pwm h GLN 112 Ca 0.44 -0.13 -0.10 0.00 -0.15 0.00 0.00 58.65 58.71 2pwm h GLN 112 Cb 0.62 -0.25 -0.02 0.00 1.07 0.00 0.00 27.48 28.90 2pwm h GLN 112 CO -0.37 0.88 -0.04 0.93 -2.65 0.00 0.00 178.83 177.58 2pwm h GLU 113 N 1.24 1.04 -0.34 1.69 5.08 -1.68 -0.58 114.58 121.03 2pwm h GLU 113 Ca 0.32 -0.35 0.05 0.00 -1.00 0.00 0.00 59.36 58.38 2pwm h GLU 113 Cb -0.02 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.11 2pwm h GLU 113 CO -0.06 1.04 0.06 1.96 -1.00 0.00 0.00 179.01 181.02 2pwm h GLN 114 N 0.92 0.18 -0.36 2.33 4.20 -0.83 -0.34 115.11 121.20 2pwm h GLN 114 Ca 0.16 -0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.78 2pwm h GLN 114 Cb 0.61 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.33 2pwm h GLN 114 CO 0.04 0.12 -0.10 0.82 -0.67 0.00 0.00 178.83 179.04 2pwm h ILE 115 N 0.18 1.24 -0.36 2.54 1.08 -1.11 -0.92 117.51 120.16 2pwm h ILE 115 Ca 0.16 -1.06 -0.05 0.00 -0.39 0.00 0.00 64.86 63.52 2pwm h ILE 115 Cb 0.19 1.07 -0.01 0.00 -3.07 0.00 0.00 36.82 34.99 2pwm h ILE 115 CO -0.22 0.36 0.02 1.23 -0.69 0.00 0.00 178.15 178.84 2pwm h GLY 116 N 0.95 0.68 0.91 5.37 0.00 -0.42 -1.17 103.07 109.38 2pwm h GLY 116 Ca 0.11 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 2pwm h GLY 116 CO 0.03 0.45 -0.10 1.49 0.00 0.00 0.00 176.54 178.41 2pwm h TRP 117 N 0.45 -0.25 -0.10 5.60 6.55 -0.83 -2.45 115.95 124.92 2pwm h TRP 117 Ca 0.10 -0.01 0.03 0.00 0.95 0.00 0.00 58.89 59.97 2pwm h TRP 117 Cb 0.43 0.08 -0.00 0.00 -0.86 0.00 0.00 29.16 28.81 2pwm h TRP 117 CO 0.03 -0.08 0.07 0.52 -1.05 0.00 0.00 178.44 177.93 2pwm h MET 118 N -0.36 0.00 -0.46 0.49 2.86 -0.97 -0.72 114.93 115.76 2pwm h MET 118 Ca -0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2pwm h MET 118 Cb 0.28 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.94 2pwm h MET 118 CO 0.05 0.00 0.00 0.25 1.06 0.00 0.00 176.91 178.27 2pwm n THR 119 N -4.42 0.93 -1.02 2.22 -2.24 -0.46 -4.63 114.28 104.66 2pwm n THR 119 Ca -0.01 -0.97 -0.31 0.00 -2.27 0.00 0.00 64.05 60.50 2pwm n THR 119 Cb 0.19 0.55 0.14 0.00 -2.10 0.00 0.00 70.33 69.10 2pwm n THR 119 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2pwm s HIS 120 N -1.02 2.14 -0.34 4.78 5.04 -0.93 -4.89 115.29 120.08 2pwm s HIS 120 Ca 0.32 1.55 -0.01 0.00 -1.54 0.00 0.00 55.06 55.38 2pwm s HIS 120 Cb 0.17 -3.17 0.08 0.00 0.04 0.00 0.00 32.58 29.70 2pwm s HIS 120 CO 0.22 -2.38 0.06 1.21 -2.34 0.00 0.00 174.74 171.50 2pwm s ASN 121 N -3.11 4.93 0.62 9.88 2.47 -1.26 -1.18 114.94 127.29 2pwm s ASN 121 Ca 0.64 -1.67 -0.09 0.00 0.42 0.00 0.00 52.86 52.16 2pwm s ASN 121 Cb -0.20 -1.72 -0.01 0.00 -1.45 0.00 0.00 41.25 37.88 2pwm s ASN 121 CO 0.57 -0.36 0.99 -2.16 -3.72 0.00 0.00 177.10 172.43 2pwm s PRO 122 N 1.14 3.23 0.41 0.43 0.04 -1.26 -5.09 135.00 133.90 2pwm s PRO 122 Ca 0.01 0.44 -0.26 0.00 0.04 0.00 0.00 61.00 61.23 2pwm s PRO 122 Cb -0.21 -2.14 -0.09 0.00 0.04 0.00 0.00 34.50 32.10 2pwm s PRO 122 CO -0.04 -0.69 1.39 -2.14 0.04 0.00 0.00 177.00 175.57 2pwm s PRO 123 N -5.14 3.92 -0.64 0.56 0.02 -0.33 -4.98 135.00 128.42 2pwm s PRO 123 Ca 0.55 2.36 -0.13 0.00 0.02 0.00 0.00 61.00 63.80 2pwm s PRO 123 Cb -0.11 -2.79 0.16 0.00 0.02 0.00 0.00 34.50 31.78 2pwm s PRO 123 CO 0.50 -0.60 0.56 0.42 -0.33 0.00 0.00 177.00 177.55 2pwm s ILE 124 N -1.20 5.05 -1.43 2.83 1.01 -0.32 -4.96 121.20 122.19 2pwm s ILE 124 Ca 0.57 -2.01 -0.15 0.00 0.00 0.00 0.00 60.65 59.06 2pwm s ILE 124 Cb -0.42 -4.21 0.04 0.00 0.01 0.00 0.00 42.46 37.88 2pwm s ILE 124 CO 0.55 -0.91 2.14 -0.81 0.00 0.00 0.00 174.94 175.91 2pwm n PRO 125 N 4.60 2.90 0.23 2.79 -0.04 -1.26 -3.29 135.00 140.92 2pwm n PRO 125 Ca -0.01 -2.71 0.06 0.00 -0.04 0.00 0.00 63.50 60.79 2pwm n PRO 125 Cb 0.42 -3.33 0.52 0.00 -0.04 0.00 0.00 33.50 31.08 2pwm n PRO 125 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 2pwm h VAL 126 N 4.29 1.08 -0.41 0.52 -1.51 -1.89 -0.28 116.25 118.05 2pwm h VAL 126 Ca 0.55 -0.63 -0.03 0.00 -1.23 0.00 0.00 66.70 65.36 2pwm h VAL 126 Cb 0.68 1.34 -0.02 0.00 -2.13 0.00 0.00 31.29 31.17 2pwm h VAL 126 CO 1.81 0.18 0.13 1.23 -1.23 0.00 0.00 177.57 179.69 2pwm h GLY 127 N 0.58 0.68 1.38 5.19 0.00 -1.85 -0.69 103.07 108.36 2pwm h GLY 127 Ca -0.00 -0.40 -0.09 0.00 0.00 0.00 0.00 47.33 46.84 2pwm h GLY 127 CO 0.02 0.38 -0.11 0.83 0.00 0.00 0.00 176.54 177.67 2pwm h GLU 128 N 0.51 0.73 -0.15 4.80 4.39 -1.56 -0.57 114.58 122.74 2pwm h GLU 128 Ca 0.13 -0.24 -0.06 0.00 0.34 0.00 0.00 59.36 59.54 2pwm h GLU 128 Cb 0.26 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.84 2pwm h GLU 128 CO -0.00 0.82 -0.13 0.82 -1.16 0.00 0.00 179.01 179.35 2pwm h ILE 129 N 0.67 1.34 -0.20 3.13 2.04 -0.96 -2.00 117.51 121.51 2pwm h ILE 129 Ca 0.12 -1.26 0.04 0.00 1.00 0.00 0.00 64.86 64.75 2pwm h ILE 129 Cb 0.57 1.83 -0.04 0.00 -0.74 0.00 0.00 36.82 38.44 2pwm h ILE 129 CO 0.04 0.37 -0.05 0.22 0.00 0.00 0.00 178.15 178.73 2pwm h TYR 130 N -0.00 -0.10 -0.91 1.37 3.20 -1.00 -1.98 116.97 117.55 2pwm h TYR 130 Ca 0.03 0.02 0.18 0.00 3.14 0.00 0.00 58.73 62.09 2pwm h TYR 130 Cb 0.65 0.08 -0.07 0.00 1.54 0.00 0.00 36.73 38.92 2pwm h TYR 130 CO 0.08 -0.08 0.59 0.87 -1.64 0.00 0.00 178.16 177.97 2pwm h LYS 131 N 0.00 0.56 -0.37 1.82 1.57 -1.04 -0.40 116.57 118.71 2pwm h LYS 131 Ca 0.10 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.79 2pwm h LYS 131 Cb 0.15 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 2pwm h LYS 131 CO -0.21 0.37 0.01 -0.09 -0.57 0.00 0.00 179.45 178.96 2pwm h ARG 132 N 0.57 0.66 -0.64 3.15 2.43 -0.64 0.19 114.38 120.10 2pwm h ARG 132 Ca 0.48 -0.20 0.01 0.00 -0.81 0.00 0.00 59.98 59.45 2pwm h ARG 132 Cb 0.95 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.40 2pwm h ARG 132 CO -0.22 0.75 0.42 -1.49 -1.51 0.00 0.00 179.97 177.93 2pwm h TRP 133 N 0.48 0.80 -0.42 2.20 6.55 -0.70 -0.96 115.95 123.90 2pwm h TRP 133 Ca 0.11 0.02 0.02 0.00 0.95 0.00 0.00 58.89 59.99 2pwm h TRP 133 Cb 0.45 -0.27 -0.03 0.00 -0.86 0.00 0.00 29.16 28.45 2pwm h TRP 133 CO 0.04 0.50 0.24 0.82 -1.05 0.00 0.00 178.44 178.98 2pwm h ILE 134 N 0.86 1.04 -0.59 1.49 2.04 -0.85 -1.04 117.51 120.46 2pwm h ILE 134 Ca 0.24 -0.17 -0.06 0.00 1.00 0.00 0.00 64.86 65.87 2pwm h ILE 134 Cb -0.08 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 36.47 2pwm h ILE 134 CO -0.06 0.09 0.14 0.40 0.00 0.00 0.00 178.15 178.72 2pwm h ILE 135 N 0.49 1.24 -0.60 -0.67 2.04 -0.68 0.26 117.51 119.59 2pwm h ILE 135 Ca 0.17 -0.87 0.02 0.00 1.00 0.00 0.00 64.86 65.18 2pwm h ILE 135 Cb 0.02 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 2pwm h ILE 135 CO -0.08 0.33 0.39 0.25 0.00 0.00 0.00 178.15 179.03 2pwm h LEU 136 N 0.88 0.65 -0.42 1.44 5.85 -0.71 0.22 115.31 123.22 2pwm h LEU 136 Ca 0.19 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.85 2pwm h LEU 136 Cb 0.32 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 2pwm h LEU 136 CO -0.00 0.46 0.08 1.23 -0.34 0.00 0.00 178.44 179.88 2pwm h GLY 137 N 0.77 0.73 0.69 3.75 0.00 -0.46 -2.88 103.07 105.67 2pwm h GLY 137 Ca 0.23 -0.48 0.08 0.00 0.00 0.00 0.00 47.33 47.16 2pwm h GLY 137 CO -0.07 0.44 0.63 1.41 0.00 0.00 0.00 176.54 178.96 2pwm h LEU 138 N 0.54 0.98 -1.57 3.11 3.38 0.12 -1.40 115.31 120.47 2pwm h LEU 138 Ca 0.13 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 2pwm h LEU 138 Cb 0.35 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2pwm h LEU 138 CO 0.01 0.60 -0.03 0.78 0.09 0.00 0.00 178.44 179.88 2pwm h ASN 139 N 1.10 0.21 -0.07 -0.43 4.21 -0.42 0.18 115.58 120.37 2pwm h ASN 139 Ca 0.44 -0.03 -0.04 0.00 1.21 0.00 0.00 56.30 57.88 2pwm h ASN 139 Cb 0.27 -0.05 -0.00 0.00 -1.12 0.00 0.00 38.32 37.41 2pwm h ASN 139 CO -0.19 0.29 -0.11 0.50 -1.29 0.00 0.00 177.43 176.62 2pwm h LYS 140 N 0.23 0.20 0.00 0.81 3.64 -1.21 -3.33 116.57 116.92 2pwm h LYS 140 Ca 0.05 -0.12 -0.07 0.00 -1.27 0.00 0.00 60.65 59.24 2pwm h LYS 140 Cb 0.22 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 2pwm h LYS 140 CO 0.01 0.69 -0.35 0.82 -2.27 0.00 0.00 179.45 178.35 2pwm h ILE 141 N -0.27 1.03 0.00 2.00 2.04 -0.89 -2.94 117.51 118.48 2pwm h ILE 141 Ca 0.01 -1.30 0.00 0.00 1.00 0.00 0.00 64.86 64.56 2pwm h ILE 141 Cb 0.68 1.75 0.00 0.00 -0.74 0.00 0.00 36.82 38.50 2pwm h ILE 141 CO 0.03 0.34 0.05 -0.37 0.00 0.00 0.00 178.15 178.21 2pwm h VAL 142 N 0.00 0.00 0.00 1.67 -1.51 -1.07 -1.23 116.25 114.11 2pwm h VAL 142 Ca -0.00 0.00 -0.06 0.00 -1.23 0.00 0.00 66.70 65.41 2pwm h VAL 142 Cb 0.72 0.72 -0.01 0.00 -2.13 0.00 0.00 31.29 30.59 2pwm h VAL 142 CO 0.05 0.00 -0.27 0.03 -1.23 0.00 0.00 177.57 176.15 2pwm h ARG 143 N 0.00 0.00 0.00 5.19 3.08 -1.72 -1.65 114.38 119.27 2pwm h ARG 143 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2pwm h ARG 143 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.16 2pwm h ARG 143 CO 0.00 0.27 0.00 -1.33 -1.07 0.00 0.00 179.97 177.84 2pwm n MET 144 N -4.22 0.07 0.00 0.04 2.81 -0.46 -5.20 117.12 110.16 2pwm n MET 144 Ca -0.02 0.24 0.00 0.00 -1.81 0.00 0.00 57.70 56.11 2pwm n MET 144 Cb 0.32 -1.62 0.00 0.00 -0.71 0.00 0.00 33.22 31.20 2pwm n MET 144 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14