#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 2.13 0.05 4.25 -4.36 -1.26 -1.37 121.20 120.64 2pwm s ILE 2 Ca 0.00 -1.40 0.01 0.00 -0.26 0.00 0.00 60.65 59.00 2pwm s ILE 2 Cb 0.00 -1.83 -0.03 0.00 1.25 0.00 0.00 42.46 41.85 2pwm s ILE 2 CO 0.00 0.35 -0.06 0.54 0.24 0.00 0.00 174.94 176.02 2pwm s VAL 3 N -0.82 0.40 -0.14 8.37 0.11 0.15 -4.81 120.40 123.66 2pwm s VAL 3 Ca 0.12 -1.28 -0.23 0.00 -2.93 0.00 0.00 61.98 57.66 2pwm s VAL 3 Cb -0.10 -0.82 -0.03 0.00 -1.53 0.00 0.00 36.38 33.90 2pwm s VAL 3 CO 0.02 -0.58 0.70 -1.58 -3.33 0.00 0.00 175.10 170.33 2pwm s GLN 4 N -2.26 4.31 0.97 1.54 0.74 -1.26 -0.98 119.66 122.72 2pwm s GLN 4 Ca -0.06 0.80 -0.16 0.00 0.05 0.00 0.00 55.36 56.00 2pwm s GLN 4 Cb -0.05 -3.53 0.21 0.00 1.10 0.00 0.00 33.01 30.75 2pwm s GLN 4 CO -0.02 -0.15 1.33 0.54 -0.55 0.00 0.00 175.29 176.44 2pwm s ASN 5 N 1.03 3.00 0.40 6.67 2.20 0.35 -4.90 114.94 123.68 2pwm s ASN 5 Ca 0.34 0.16 0.13 0.00 -0.94 0.00 0.00 52.86 52.55 2pwm s ASN 5 Cb -0.17 -0.16 0.95 0.00 -2.00 0.00 0.00 41.25 39.88 2pwm s ASN 5 CO 0.13 -2.80 1.89 -0.07 -2.94 0.00 0.00 177.10 173.32 2pwm h LEU 6 N -1.66 0.51 0.00 3.54 3.38 -1.97 -1.40 115.31 117.70 2pwm h LEU 6 Ca -0.44 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.56 2pwm h LEU 6 Cb 1.22 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.90 2pwm h LEU 6 CO 0.34 0.26 0.00 0.00 0.09 0.00 0.00 178.44 179.13 2pwm n GLN 7 N -4.51 0.97 -0.75 1.13 3.00 -1.26 -4.86 117.38 111.10 2pwm n GLN 7 Ca 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.15 2pwm n GLN 7 Cb 0.51 -1.36 0.00 0.00 0.00 0.00 0.00 30.24 29.40 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 0.81 0.60 3.88 1.08 0.00 -0.53 -5.04 105.19 106.00 2pwm n GLY 8 Ca 0.17 -0.18 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.52 3.39 -0.36 1.61 -0.21 -1.25 -4.83 119.66 117.48 2pwm s GLN 9 Ca 0.00 -0.28 -0.21 0.00 0.02 0.00 0.00 55.36 54.89 2pwm s GLN 9 Cb 0.00 -3.10 0.00 0.00 1.00 0.00 0.00 33.01 30.92 2pwm s GLN 9 CO 0.00 0.70 0.64 -1.64 -2.12 0.00 0.00 175.29 172.88 2pwm s MET 10 N -1.62 3.64 0.35 2.91 -1.94 -1.26 -0.50 119.30 120.88 2pwm s MET 10 Ca 0.23 0.02 0.04 0.00 -1.71 0.00 0.00 55.69 54.27 2pwm s MET 10 Cb -0.12 -3.82 -0.07 0.00 2.01 0.00 0.00 34.83 32.83 2pwm s MET 10 CO 0.13 -0.77 0.05 0.14 -0.01 0.00 0.00 175.02 174.56 2pwm s VAL 11 N 2.74 1.36 0.26 -6.03 -7.23 -0.16 -4.89 120.40 106.45 2pwm s VAL 11 Ca 0.24 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.11 2pwm s VAL 11 Cb -0.14 -2.83 -0.13 0.00 0.56 0.00 0.00 36.38 33.83 2pwm s VAL 11 CO 0.15 0.00 1.34 1.57 -0.31 0.00 0.00 175.10 177.85 2pwm n HIS 12 N -0.75 2.06 -5.01 2.82 -0.00 -1.26 0.33 115.22 113.40 2pwm n HIS 12 Ca -0.03 0.49 -0.28 0.00 -0.00 0.00 0.00 57.72 57.90 2pwm n HIS 12 Cb 0.67 -2.42 -0.16 0.00 -0.00 0.00 0.00 29.99 28.07 2pwm n HIS 12 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.34 175.20 2pwm s GLN 13 N -0.78 2.01 0.85 1.57 0.74 -0.47 -4.67 119.66 118.91 2pwm s GLN 13 Ca 0.65 -0.73 -0.12 0.00 0.05 0.00 0.00 55.36 55.21 2pwm s GLN 13 Cb -0.65 -1.77 0.11 0.00 1.10 0.00 0.00 33.01 31.80 2pwm s GLN 13 CO 0.53 0.33 1.18 0.00 -0.55 0.00 0.00 175.29 176.78 2pwm s ALA 14 N -0.13 1.68 -0.07 1.58 0.00 -1.26 -4.62 121.76 118.94 2pwm s ALA 14 Ca -0.01 0.75 -0.39 0.00 0.00 0.00 0.00 51.96 52.31 2pwm s ALA 14 Cb -0.12 -3.48 -0.17 0.00 0.00 0.00 0.00 23.12 19.35 2pwm s ALA 14 CO 0.02 -2.50 1.41 1.51 0.00 0.00 0.00 175.76 176.20 2pwm n ILE 15 N -3.69 0.07 -2.35 0.00 3.06 -1.26 -4.89 119.36 110.30 2pwm n ILE 15 Ca 0.13 -0.01 -0.28 0.00 -2.50 0.00 0.00 62.75 60.08 2pwm n ILE 15 Cb 0.51 -0.73 0.01 0.00 0.54 0.00 0.00 39.64 39.97 2pwm n ILE 15 CO 0.00 0.00 0.00 -0.94 -2.50 0.00 0.00 176.55 173.11 2pwm s SER 16 N 1.35 6.14 0.23 9.51 1.04 -1.26 -4.87 113.70 125.84 2pwm s SER 16 Ca 0.91 1.06 -0.09 0.00 0.48 0.00 0.00 55.95 58.31 2pwm s SER 16 Cb -1.09 -2.24 0.38 0.00 0.10 0.00 0.00 66.02 63.17 2pwm s SER 16 CO 0.56 -0.75 1.64 -0.65 0.98 0.00 0.00 173.24 175.02 2pwm h PRO 17 N -0.02 0.09 -0.29 4.02 0.11 -1.99 -0.75 132.00 133.17 2pwm h PRO 17 Ca -0.46 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.65 2pwm h PRO 17 Cb 1.21 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 2pwm h PRO 17 CO 0.62 0.06 0.18 0.00 -0.21 0.00 0.00 178.00 178.65 2pwm h ARG 18 N 0.09 0.36 -0.19 1.05 3.08 -1.99 0.05 114.38 116.82 2pwm h ARG 18 Ca 0.38 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.43 2pwm h ARG 18 Cb 0.65 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 2pwm h ARG 18 CO -0.64 0.24 0.04 1.15 -1.07 0.00 0.00 179.97 179.69 2pwm h THR 19 N 0.37 0.92 -0.63 2.04 2.02 -1.84 -2.32 112.91 113.45 2pwm h THR 19 Ca 0.11 -0.04 -0.08 0.00 0.77 0.00 0.00 66.41 67.17 2pwm h THR 19 Cb -0.02 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 2pwm h THR 19 CO -0.04 0.02 0.07 -0.07 0.37 0.00 0.00 175.52 175.87 2pwm h LEU 20 N 0.12 1.03 -0.14 2.58 3.38 -0.87 -1.10 115.31 120.31 2pwm h LEU 20 Ca 0.09 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 57.81 2pwm h LEU 20 Cb 0.08 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 2pwm h LEU 20 CO -0.11 1.05 -0.05 -1.13 0.09 0.00 0.00 178.44 178.28 2pwm h ASN 21 N 0.98 -0.18 -0.58 -0.43 -1.24 -0.91 -0.06 115.58 113.16 2pwm h ASN 21 Ca 0.19 0.05 0.03 0.00 0.71 0.00 0.00 56.30 57.27 2pwm h ASN 21 Cb 0.48 0.11 -0.04 0.00 0.73 0.00 0.00 38.32 39.60 2pwm h ASN 21 CO 0.02 -0.07 0.35 0.00 -1.29 0.00 0.00 177.43 176.43 2pwm h ALA 22 N 1.10 0.74 -0.48 1.57 0.00 -1.23 -2.17 119.26 118.78 2pwm h ALA 22 Ca 0.07 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.02 2pwm h ALA 22 Cb 0.14 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 2pwm h ALA 22 CO -0.16 0.08 0.20 2.35 0.00 0.00 0.00 179.25 181.72 2pwm h TRP 23 N 0.69 0.37 -0.46 0.00 -0.00 -0.78 -0.32 115.95 115.45 2pwm h TRP 23 Ca 0.23 0.02 -0.05 0.00 -0.00 0.00 0.00 58.89 59.09 2pwm h TRP 23 Cb 0.02 -0.09 -0.02 0.00 -0.00 0.00 0.00 29.16 29.07 2pwm h TRP 23 CO -0.06 0.15 0.06 -0.39 -0.00 0.00 0.00 178.44 178.21 2pwm h VAL 24 N 0.40 1.22 -0.80 2.65 -1.51 -0.85 0.20 116.25 117.57 2pwm h VAL 24 Ca 0.22 -0.82 -0.02 0.00 -1.23 0.00 0.00 66.70 64.85 2pwm h VAL 24 Cb 0.19 0.80 -0.04 0.00 -2.13 0.00 0.00 31.29 30.11 2pwm h VAL 24 CO -0.20 0.30 0.42 0.11 -1.23 0.00 0.00 177.57 176.97 2pwm h LYS 25 N 0.68 1.12 -0.38 5.19 1.57 -1.06 -0.39 116.57 123.30 2pwm h LYS 25 Ca 0.15 -0.14 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 2pwm h LYS 25 Cb 0.33 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 2pwm h LYS 25 CO 0.01 0.84 -0.02 0.28 -0.57 0.00 0.00 179.45 179.99 2pwm h VAL 26 N 1.11 1.26 -0.09 0.50 2.07 -0.59 -1.64 116.25 118.87 2pwm h VAL 26 Ca 0.28 -1.04 -0.00 0.00 0.82 0.00 0.00 66.70 66.76 2pwm h VAL 26 Cb 0.06 1.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.99 2pwm h VAL 26 CO -0.04 0.35 0.05 0.58 0.02 0.00 0.00 177.57 178.52 2pwm h VAL 27 N 0.51 1.08 -0.91 2.57 2.07 -0.73 0.63 116.25 121.48 2pwm h VAL 27 Ca 0.11 -0.23 0.17 0.00 0.82 0.00 0.00 66.70 67.57 2pwm h VAL 27 Cb 0.50 1.07 -0.10 0.00 -1.52 0.00 0.00 31.29 31.24 2pwm h VAL 27 CO 0.02 0.07 0.49 -0.33 0.02 0.00 0.00 177.57 177.85 2pwm h GLU 28 N 0.06 0.62 0.01 1.57 5.08 -0.93 -1.85 114.58 119.14 2pwm h GLU 28 Ca 0.03 -0.04 -0.32 0.00 -1.00 0.00 0.00 59.36 58.03 2pwm h GLU 28 Cb 0.07 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.13 2pwm h GLU 28 CO -0.01 0.41 -1.95 -1.91 -1.00 0.00 0.00 179.01 174.56 2pwm n GLU 29 N -4.86 0.66 0.00 2.33 2.13 -0.63 -4.74 120.64 115.53 2pwm n GLU 29 Ca 0.20 0.20 0.00 0.00 0.66 0.00 0.00 57.16 58.22 2pwm n GLU 29 Cb 0.52 -1.70 0.00 0.00 0.27 0.00 0.00 31.44 30.52 2pwm n GLU 29 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2pwm n LYS 30 N -3.00 4.39 -2.18 5.31 5.02 0.22 -5.04 118.16 122.89 2pwm n LYS 30 Ca -0.23 -0.06 -0.42 0.00 -2.02 0.00 0.00 58.31 55.58 2pwm n LYS 30 Cb 1.08 -0.45 -0.03 0.00 -0.02 0.00 0.00 35.03 35.61 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 -0.64 3.59 -0.52 7.82 0.00 -0.70 0.11 121.76 131.42 2pwm s ALA 31 Ca 0.00 0.99 0.07 0.00 0.00 0.00 0.00 51.96 53.02 2pwm s ALA 31 Cb 0.00 -3.59 0.35 0.00 0.00 0.00 0.00 23.12 19.89 2pwm s ALA 31 CO 0.00 -0.84 0.93 1.19 0.00 0.00 0.00 175.76 177.04 2pwm n PHE 32 N 4.95 3.18 -1.21 0.00 3.72 -1.26 -5.02 117.46 121.82 2pwm n PHE 32 Ca 0.13 -3.84 -0.32 0.00 -0.05 0.00 0.00 57.45 53.38 2pwm n PHE 32 Cb 0.43 -0.43 0.10 0.00 -0.94 0.00 0.00 39.48 38.64 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 -3.28 4.19 0.48 4.37 1.04 0.12 -3.99 113.70 116.62 2pwm s SER 33 Ca 0.47 1.98 0.29 0.00 0.48 0.00 0.00 55.95 59.17 2pwm s SER 33 Cb 0.31 -2.54 1.37 0.00 0.10 0.00 0.00 66.02 65.26 2pwm s SER 33 CO -0.13 -2.25 1.77 -0.65 0.98 0.00 0.00 173.24 172.96 2pwm h PRO 34 N -1.08 0.15 0.00 4.02 0.11 -1.85 -1.18 132.00 132.18 2pwm h PRO 34 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2pwm h PRO 34 Cb 1.25 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2pwm h PRO 34 CO 0.49 0.10 0.00 0.39 -0.21 0.00 0.00 178.00 178.77 2pwm n GLU 35 N -4.39 0.12 0.08 1.05 1.02 -1.26 -2.10 120.64 115.15 2pwm n GLU 35 Ca 0.27 0.45 -0.04 0.00 -0.02 0.00 0.00 57.16 57.82 2pwm n GLU 35 Cb 1.13 -1.77 0.15 0.00 -0.02 0.00 0.00 31.44 30.94 2pwm n GLU 35 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 2pwm h VAL 36 N 0.00 1.35 0.01 2.62 3.04 -1.42 -3.36 116.25 118.49 2pwm h VAL 36 Ca 0.00 -1.78 -0.00 0.00 -1.01 0.00 0.00 66.70 63.91 2pwm h VAL 36 Cb 0.20 1.85 0.00 0.00 -2.01 0.00 0.00 31.29 31.33 2pwm h VAL 36 CO 0.00 0.53 -0.01 0.40 -1.01 0.00 0.00 177.57 177.48 2pwm h ILE 37 N 0.22 1.15 -0.35 3.17 2.04 -1.62 0.12 117.51 122.24 2pwm h ILE 37 Ca 0.01 -0.50 0.03 0.00 1.00 0.00 0.00 64.86 65.40 2pwm h ILE 37 Cb 0.99 1.49 -0.02 0.00 -0.74 0.00 0.00 36.82 38.54 2pwm h ILE 37 CO 0.08 0.13 0.23 -0.65 0.00 0.00 0.00 178.15 177.94 2pwm h PRO 38 N -0.23 0.33 0.00 2.37 0.11 -1.77 -0.54 132.00 132.28 2pwm h PRO 38 Ca -0.00 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 2pwm h PRO 38 Cb 0.22 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.26 2pwm h PRO 38 CO 0.00 0.22 -0.00 0.52 -0.21 0.00 0.00 178.00 178.53 2pwm h MET 39 N 0.34 -0.00 -0.54 1.05 2.86 -1.62 -1.67 114.93 115.35 2pwm h MET 39 Ca 0.14 0.00 0.10 0.00 -2.06 0.00 0.00 59.70 57.89 2pwm h MET 39 Cb 0.14 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 31.72 2pwm h MET 39 CO -0.03 0.68 0.05 0.35 1.06 0.00 0.00 176.91 179.02 2pwm h PHE 40 N -0.70 0.05 -0.64 -0.22 3.57 -0.70 0.49 116.94 118.80 2pwm h PHE 40 Ca -0.00 0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.59 2pwm h PHE 40 Cb 0.69 0.06 -0.05 0.00 2.79 0.00 0.00 35.95 39.44 2pwm h PHE 40 CO 0.17 -0.09 0.36 1.03 -2.23 0.00 0.00 178.31 177.55 2pwm h SER 41 N 0.17 0.54 0.42 0.41 0.87 -1.01 0.64 113.55 115.58 2pwm h SER 41 Ca 0.28 0.03 -0.26 0.00 -1.23 0.00 0.00 61.79 60.60 2pwm h SER 41 Cb 0.42 -0.08 0.01 0.00 -0.44 0.00 0.00 62.40 62.31 2pwm h SER 41 CO -0.42 0.35 -1.14 0.00 -0.53 0.00 0.00 176.83 175.09 2pwm h ALA 42 N 1.33 0.17 0.00 6.23 0.00 -1.05 -3.18 119.26 122.76 2pwm h ALA 42 Ca 0.28 -0.80 -0.07 0.00 0.00 0.00 0.00 54.91 54.32 2pwm h ALA 42 Cb 0.16 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2pwm h ALA 42 CO -0.17 0.85 -0.34 -0.07 0.00 0.00 0.00 179.25 179.52 2pwm h LEU 43 N 0.17 0.00 -1.80 0.00 3.38 -0.54 -2.49 115.31 114.03 2pwm h LEU 43 Ca -0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2pwm h LEU 43 Cb 1.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.57 2pwm h LEU 43 CO 0.20 0.34 0.00 -1.54 0.09 0.00 0.00 178.44 177.53 2pwm n SER 44 N -3.72 2.63 -4.70 -0.43 3.41 0.19 -4.93 113.62 106.07 2pwm n SER 44 Ca -0.01 -1.96 -0.44 0.00 -0.26 0.00 0.00 58.87 56.20 2pwm n SER 44 Cb 0.44 -0.29 -0.03 0.00 -0.26 0.00 0.00 64.21 64.06 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 0.94 2.40 -0.91 4.33 2.13 -0.94 -1.42 120.64 127.17 2pwm n GLU 45 Ca 0.17 0.86 0.00 0.00 0.66 0.00 0.00 57.16 58.85 2pwm n GLU 45 Cb 0.43 -2.64 0.00 0.00 0.27 0.00 0.00 31.44 29.50 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 3.21 0.74 3.77 8.31 0.00 -1.26 -4.76 105.19 115.20 2pwm n GLY 46 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.18 3.32 0.74 4.61 0.00 -0.50 -4.42 121.76 122.32 2pwm s ALA 47 Ca 0.00 1.13 -0.11 0.00 0.00 0.00 0.00 51.96 52.97 2pwm s ALA 47 Cb 0.00 -3.44 0.03 0.00 0.00 0.00 0.00 23.12 19.72 2pwm s ALA 47 CO 0.00 -0.61 1.10 0.95 0.00 0.00 0.00 175.76 177.19 2pwm s THR 48 N -1.26 3.34 0.29 0.00 -4.23 -1.26 -4.41 115.64 108.12 2pwm s THR 48 Ca 0.53 0.44 0.04 0.00 -1.18 0.00 0.00 61.69 61.52 2pwm s THR 48 Cb -0.36 -3.33 0.28 0.00 1.34 0.00 0.00 72.50 70.44 2pwm s THR 48 CO 0.46 -0.57 1.71 -0.65 -0.54 0.00 0.00 174.62 175.04 2pwm h PRO 49 N -0.82 0.46 -0.64 3.99 0.11 -1.85 -1.31 132.00 131.94 2pwm h PRO 49 Ca -0.46 -0.03 0.06 0.00 0.11 0.00 0.00 66.00 65.68 2pwm h PRO 49 Cb 1.26 -0.10 -0.05 0.00 0.11 0.00 0.00 31.00 32.21 2pwm h PRO 49 CO 0.62 0.31 0.35 0.37 -0.21 0.00 0.00 178.00 179.44 2pwm h GLN 50 N 0.48 0.64 -0.70 1.05 4.15 -1.91 0.14 115.11 118.96 2pwm h GLN 50 Ca 0.56 -0.04 -0.07 0.00 0.77 0.00 0.00 58.65 59.88 2pwm h GLN 50 Cb 1.02 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 28.54 2pwm h GLN 50 CO -0.49 0.42 0.18 -0.44 -1.93 0.00 0.00 178.83 176.57 2pwm h ASP 51 N 0.66 1.04 -0.58 -0.69 3.32 -1.74 -2.38 116.42 116.05 2pwm h ASP 51 Ca 0.29 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 2pwm h ASP 51 Cb 0.17 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 2pwm h ASP 51 CO -0.18 0.99 0.33 -0.07 -1.72 0.00 0.00 179.24 178.59 2pwm h LEU 52 N 1.05 0.72 -1.38 1.55 3.38 -0.89 -0.36 115.31 119.37 2pwm h LEU 52 Ca 0.22 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 2pwm h LEU 52 Cb 0.35 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2pwm h LEU 52 CO -0.00 0.59 -0.22 0.78 0.09 0.00 0.00 178.44 179.68 2pwm h ASN 53 N 0.78 0.13 -0.11 -0.43 -0.26 -0.77 0.05 115.58 114.98 2pwm h ASN 53 Ca 0.21 -0.03 -0.00 0.00 -0.56 0.00 0.00 56.30 55.91 2pwm h ASN 53 Cb 0.03 -0.03 -0.00 0.00 -1.06 0.00 0.00 38.32 37.25 2pwm h ASN 53 CO -0.03 0.36 0.05 0.74 -1.06 0.00 0.00 177.43 177.48 2pwm h THR 54 N 0.12 1.12 -0.34 2.81 2.02 -0.87 -0.47 112.91 117.30 2pwm h THR 54 Ca 0.02 -0.35 0.05 0.00 0.77 0.00 0.00 66.41 66.91 2pwm h THR 54 Cb 0.46 1.15 -0.05 0.00 -1.74 0.00 0.00 68.15 67.98 2pwm h THR 54 CO 0.03 0.11 0.05 0.24 0.37 0.00 0.00 175.52 176.32 2pwm h MET 55 N 0.05 0.15 -0.88 6.66 2.86 -0.68 -1.91 114.93 121.18 2pwm h MET 55 Ca 0.04 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.66 2pwm h MET 55 Cb 0.12 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.71 2pwm h MET 55 CO -0.00 0.10 0.53 -0.07 1.06 0.00 0.00 176.91 178.52 2pwm h LEU 56 N 0.16 1.06 -0.55 1.22 3.38 -0.84 -2.79 115.31 116.94 2pwm h LEU 56 Ca 0.16 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2pwm h LEU 56 Cb 0.19 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.68 2pwm h LEU 56 CO -0.23 0.82 0.00 0.59 0.09 0.00 0.00 178.44 179.71 2pwm n ASN 57 N -4.36 0.83 -1.11 -0.43 4.13 -0.20 -3.06 115.26 111.06 2pwm n ASN 57 Ca 0.10 -1.54 0.12 0.00 1.68 0.00 0.00 54.58 54.94 2pwm n ASN 57 Cb 0.06 -0.05 0.21 0.00 -1.54 0.00 0.00 39.78 38.47 2pwm n ASN 57 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 2pwm n THR 58 N -0.24 0.43 -2.72 3.41 -2.24 -0.77 -4.88 114.28 107.28 2pwm n THR 58 Ca 0.16 -0.70 -0.42 0.00 -2.27 0.00 0.00 64.05 60.81 2pwm n THR 58 Cb 0.20 1.02 -0.03 0.00 -2.10 0.00 0.00 70.33 69.42 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 -1.57 4.77 -0.18 2.28 1.01 -1.17 -4.97 120.40 120.57 2pwm s VAL 59 Ca 0.38 1.96 -0.09 0.00 0.00 0.00 0.00 61.98 64.23 2pwm s VAL 59 Cb 0.22 -4.28 -0.05 0.00 0.00 0.00 0.00 36.38 32.28 2pwm s VAL 59 CO 0.31 -0.05 0.11 -0.83 0.00 0.00 0.00 175.10 174.64 2pwm s GLY 60 N 1.14 2.02 0.00 4.51 0.00 -1.26 -4.93 107.32 108.80 2pwm s GLY 60 Ca 0.45 -0.70 0.00 0.00 0.00 0.00 0.00 44.72 44.47 2pwm s GLY 60 CO 0.13 0.01 0.00 0.61 0.00 0.00 0.00 173.10 173.85 2pwm n GLY 61 N 3.24 -1.01 3.15 0.20 0.00 -1.26 -4.97 105.19 104.54 2pwm n GLY 61 Ca -0.17 -1.40 -0.23 0.00 0.00 0.00 0.00 46.02 44.22 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 -2.05 -0.33 1.61 -0.00 -1.26 -4.86 115.22 108.32 2pwm n HIS 62 Ca 0.00 0.58 -0.02 0.00 -0.00 0.00 0.00 57.72 58.28 2pwm n HIS 62 Cb 0.00 -4.33 0.13 0.00 -0.00 0.00 0.00 29.99 25.79 2pwm n HIS 62 CO 0.00 0.00 0.00 -0.56 -0.00 0.00 0.00 176.34 175.78 2pwm h GLN 63 N -1.49 1.24 -0.39 -0.41 -0.00 -1.97 -1.20 115.11 110.90 2pwm h GLN 63 Ca -0.52 -0.09 0.06 0.00 -0.00 0.00 0.00 58.65 58.10 2pwm h GLN 63 Cb 1.36 -0.27 -0.06 0.00 -0.00 0.00 0.00 27.48 28.51 2pwm h GLN 63 CO 0.57 0.85 0.06 0.00 -0.00 0.00 0.00 178.83 180.30 2pwm h ALA 64 N 1.38 0.41 -0.62 0.06 0.00 -2.00 -1.14 119.26 117.34 2pwm h ALA 64 Ca 0.34 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.36 2pwm h ALA 64 Cb -0.10 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 2pwm h ALA 64 CO -0.07 -0.35 0.39 0.00 0.00 0.00 0.00 179.25 179.23 2pwm h ALA 65 N 1.31 0.81 0.00 0.00 0.00 -1.70 -1.64 119.26 118.04 2pwm h ALA 65 Ca 0.19 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 2pwm h ALA 65 Cb 0.24 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2pwm h ALA 65 CO -0.27 0.16 -0.47 0.52 0.00 0.00 0.00 179.25 179.19 2pwm h MET 66 N 0.78 0.00 -0.34 0.00 2.07 -0.79 0.41 114.93 117.06 2pwm h MET 66 Ca 0.24 0.00 -0.16 0.00 -2.07 0.00 0.00 59.70 57.71 2pwm h MET 66 Cb -0.02 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 29.71 2pwm h MET 66 CO -0.09 0.47 -0.43 0.37 1.07 0.00 0.00 176.91 178.30 2pwm h GLN 67 N 0.00 0.88 -0.63 1.72 5.75 -0.83 -1.86 115.11 120.13 2pwm h GLN 67 Ca -0.00 -0.49 -0.07 0.00 -0.15 0.00 0.00 58.65 57.94 2pwm h GLN 67 Cb 0.92 0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.47 2pwm h GLN 67 CO 0.06 1.13 0.11 0.52 -2.65 0.00 0.00 178.83 178.00 2pwm h MET 68 N 0.70 1.04 -0.50 1.69 2.86 -0.65 -2.25 114.93 117.82 2pwm h MET 68 Ca 0.05 -0.28 0.09 0.00 -2.06 0.00 0.00 59.70 57.50 2pwm h MET 68 Cb 1.02 -0.12 -0.07 0.00 0.06 0.00 0.00 31.60 32.49 2pwm h MET 68 CO 0.10 0.96 0.09 1.25 1.06 0.00 0.00 176.91 180.37 2pwm h LEU 69 N 0.95 -0.03 -0.75 1.22 5.85 -0.80 -0.82 115.31 120.93 2pwm h LEU 69 Ca 0.19 0.10 0.01 0.00 0.84 0.00 0.00 57.88 59.01 2pwm h LEU 69 Cb 0.42 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.56 2pwm h LEU 69 CO 0.01 0.01 0.49 0.50 -0.34 0.00 0.00 178.44 179.11 2pwm h LYS 70 N 0.22 0.99 -0.45 1.25 3.64 -1.12 -0.34 116.57 120.76 2pwm h LYS 70 Ca 0.25 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 2pwm h LYS 70 Cb 0.35 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 2pwm h LYS 70 CO -0.35 0.66 0.30 0.93 -2.27 0.00 0.00 179.45 178.73 2pwm h GLU 71 N 1.02 0.59 -0.23 1.90 5.08 -1.03 -0.95 114.58 120.97 2pwm h GLU 71 Ca 0.27 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.62 2pwm h GLU 71 Cb -0.11 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 28.99 2pwm h GLU 71 CO -0.06 0.39 0.09 1.15 -1.00 0.00 0.00 179.01 179.58 2pwm h THR 72 N 0.61 0.95 -0.41 1.13 2.02 -0.77 -1.48 112.91 114.96 2pwm h THR 72 Ca 0.17 -0.07 -0.03 0.00 0.77 0.00 0.00 66.41 67.24 2pwm h THR 72 Cb -0.07 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 2pwm h THR 72 CO -0.04 0.04 0.12 0.40 0.37 0.00 0.00 175.52 176.41 2pwm h ILE 73 N 0.20 1.22 -0.88 3.11 2.04 -0.94 -0.14 117.51 122.12 2pwm h ILE 73 Ca 0.10 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.23 2pwm h ILE 73 Cb 0.06 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 37.01 2pwm h ILE 73 CO -0.10 0.26 0.56 0.78 0.00 0.00 0.00 178.15 179.65 2pwm h ASN 74 N 0.52 1.02 -0.11 1.72 2.35 -1.06 0.84 115.58 120.87 2pwm h ASN 74 Ca 0.13 -0.04 -0.05 0.00 -0.55 0.00 0.00 56.30 55.80 2pwm h ASN 74 Cb 0.27 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.38 2pwm h ASN 74 CO -0.00 0.76 -0.11 -0.08 -1.65 0.00 0.00 177.43 176.35 2pwm h GLU 75 N 1.20 0.27 -0.32 0.81 4.57 -0.95 -2.28 114.58 117.87 2pwm h GLU 75 Ca 0.32 -0.14 -0.04 0.00 -1.18 0.00 0.00 59.36 58.32 2pwm h GLU 75 Cb -0.10 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.47 2pwm h GLU 75 CO -0.07 0.68 0.02 0.93 -1.18 0.00 0.00 179.01 179.39 2pwm h GLU 76 N -0.13 0.48 -0.43 1.92 4.39 -0.78 -0.65 114.58 119.38 2pwm h GLU 76 Ca 0.02 -0.09 -0.12 0.00 0.34 0.00 0.00 59.36 59.51 2pwm h GLU 76 Cb 0.63 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 2pwm h GLU 76 CO 0.03 0.49 -0.20 0.00 -1.16 0.00 0.00 179.01 178.17 2pwm h ALA 77 N 1.57 0.61 -0.55 3.43 0.00 -0.82 -0.35 119.26 123.14 2pwm h ALA 77 Ca 0.10 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 2pwm h ALA 77 Cb 0.27 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2pwm h ALA 77 CO 0.01 0.57 0.26 0.00 0.00 0.00 0.00 179.25 180.08 2pwm h ALA 78 N 0.84 0.71 -0.33 0.00 0.00 -1.01 -2.25 119.26 117.21 2pwm h ALA 78 Ca 0.10 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 2pwm h ALA 78 Cb 0.76 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2pwm h ALA 78 CO 0.06 0.28 -0.34 0.93 0.00 0.00 0.00 179.25 180.18 2pwm h GLU 79 N 0.74 0.73 -0.31 0.00 4.39 -1.06 -1.66 114.58 117.41 2pwm h GLU 79 Ca 0.19 -0.35 0.06 0.00 0.34 0.00 0.00 59.36 59.60 2pwm h GLU 79 Cb 0.13 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 28.72 2pwm h GLU 79 CO -0.02 0.96 -0.06 2.35 -1.16 0.00 0.00 179.01 181.08 2pwm h TRP 80 N 0.61 -0.12 -0.26 4.33 2.91 -0.95 -0.20 115.95 122.27 2pwm h TRP 80 Ca 0.06 0.03 0.03 0.00 1.13 0.00 0.00 58.89 60.14 2pwm h TRP 80 Cb 0.86 0.10 -0.03 0.00 -0.51 0.00 0.00 29.16 29.59 2pwm h TRP 80 CO 0.04 -0.11 0.08 -0.44 -1.03 0.00 0.00 178.44 176.99 2pwm h ASP 81 N 0.02 0.09 -0.99 2.65 3.32 -1.16 -1.19 116.42 119.16 2pwm h ASP 81 Ca 0.15 0.03 0.06 0.00 0.02 0.00 0.00 57.03 57.29 2pwm h ASP 81 Cb 0.22 0.02 -0.06 0.00 0.22 0.00 0.00 39.33 39.73 2pwm h ASP 81 CO -0.30 0.08 0.64 -0.09 -1.72 0.00 0.00 179.24 177.86 2pwm h ARG 82 N 0.20 1.15 -0.01 3.56 2.43 -1.08 -3.10 114.38 117.52 2pwm h ARG 82 Ca 0.12 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2pwm h ARG 82 Cb 0.09 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 29.38 2pwm h ARG 82 CO -0.12 0.76 -0.18 1.28 -1.51 0.00 0.00 179.97 180.19 2pwm n LEU 83 N -4.50 1.65 -3.52 3.80 4.77 -0.11 -4.37 117.00 114.73 2pwm n LEU 83 Ca 0.15 -0.54 -0.27 0.00 -0.03 0.00 0.00 56.01 55.32 2pwm n LEU 83 Cb 0.16 -0.04 -0.09 0.00 -2.33 0.00 0.00 43.42 41.12 2pwm n LEU 83 CO 0.33 0.29 -0.08 1.41 -1.33 0.00 0.00 177.39 178.00 2pwm n HIS 84 N 0.02 2.14 -1.74 -1.77 8.25 -0.47 -5.06 115.22 116.58 2pwm n HIS 84 Ca 0.14 -3.97 -0.42 0.00 -0.26 0.00 0.00 57.72 53.21 2pwm n HIS 84 Cb 0.41 -0.42 -0.02 0.00 1.12 0.00 0.00 29.99 31.08 2pwm n HIS 84 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2pwm n PRO 85 N 1.58 2.73 -4.43 -0.41 -0.02 -1.26 -4.84 135.00 128.35 2pwm n PRO 85 Ca 0.25 0.97 -0.22 0.00 -2.02 0.00 0.00 63.50 62.49 2pwm n PRO 85 Cb 0.42 -2.78 -0.10 0.00 -0.02 0.00 0.00 33.50 31.03 2pwm n PRO 85 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2pwm s VAL 86 N 0.31 1.97 0.90 -1.45 -7.23 -1.26 -5.14 120.40 108.50 2pwm s VAL 86 Ca 0.67 -2.23 -0.12 0.00 -1.81 0.00 0.00 61.98 58.49 2pwm s VAL 86 Cb -0.50 -2.32 0.13 0.00 0.56 0.00 0.00 36.38 34.25 2pwm s VAL 86 CO 0.44 -0.40 1.09 -1.00 -0.31 0.00 0.00 175.10 174.93 2pwm s HIS 87 N -2.82 2.35 0.46 2.82 3.76 -1.26 -4.93 115.29 115.67 2pwm s HIS 87 Ca 0.28 1.20 0.24 0.00 -0.15 0.00 0.00 55.06 56.63 2pwm s HIS 87 Cb 0.00 -3.18 1.25 0.00 1.11 0.00 0.00 32.58 31.77 2pwm s HIS 87 CO 0.12 -2.39 1.84 0.00 -0.85 0.00 0.00 174.74 173.45 2pwm h ALA 88 N -1.54 2.50 -2.20 -1.40 0.00 -2.05 -3.45 119.26 111.11 2pwm h ALA 88 Ca -0.50 0.01 0.24 0.00 0.00 0.00 0.00 54.91 54.66 2pwm h ALA 88 Cb 1.29 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 19.04 2pwm h ALA 88 CO 0.56 -0.81 0.70 0.20 0.00 0.00 0.00 179.25 179.90 2pwm s GLY 89 N -3.91 -0.09 0.38 0.00 0.00 -1.26 -5.14 107.32 97.29 2pwm s GLY 89 Ca -0.07 0.01 -0.28 0.00 0.00 0.00 0.00 44.72 44.38 2pwm s GLY 89 CO 0.79 2.55 1.46 2.56 0.00 0.00 0.00 173.10 180.45 2pwm s PRO 90 N -2.32 4.11 0.14 2.90 0.04 -1.26 -4.93 135.00 133.68 2pwm s PRO 90 Ca 0.21 2.52 -0.10 0.00 0.04 0.00 0.00 61.00 63.66 2pwm s PRO 90 Cb -0.00 -2.96 -0.03 0.00 0.04 0.00 0.00 34.50 31.54 2pwm s PRO 90 CO 0.02 -0.51 1.47 0.82 0.04 0.00 0.00 177.00 178.84 2pwm h ILE 91 N 2.94 1.27 -3.37 0.56 2.04 -1.98 -3.42 117.51 115.56 2pwm h ILE 91 Ca -0.51 -1.60 -0.59 0.00 1.00 0.00 0.00 64.86 63.17 2pwm h ILE 91 Cb 1.24 1.44 -0.09 0.00 -0.74 0.00 0.00 36.82 38.66 2pwm h ILE 91 CO 0.64 0.53 -0.17 -1.61 0.00 0.00 0.00 178.15 177.54 2pwm s GLU 92 N -4.34 4.27 0.21 2.37 0.41 -1.26 -5.00 118.70 115.37 2pwm s GLU 92 Ca -0.11 0.32 -0.09 0.00 -0.41 0.00 0.00 54.97 54.68 2pwm s GLU 92 Cb 0.11 -3.47 0.26 0.00 -1.78 0.00 0.00 34.13 29.25 2pwm s GLU 92 CO 0.88 0.09 1.77 -1.00 -0.49 0.00 0.00 175.26 176.51 2pwm h PRO 93 N 6.95 0.50 0.00 0.39 0.13 -2.02 -2.10 132.00 135.85 2pwm h PRO 93 Ca -0.39 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2pwm h PRO 93 Cb 1.17 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.19 2pwm h PRO 93 CO 0.75 0.33 0.00 0.41 -0.23 0.00 0.00 178.00 179.26 2pwm n GLY 94 N -1.29 -1.53 3.77 1.56 0.00 -1.26 -4.93 105.19 101.52 2pwm n GLY 94 Ca 0.09 -0.07 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 2pwm n GLY 94 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2pwm s GLN 95 N -3.04 3.67 0.03 1.61 0.74 -0.79 -4.94 119.66 116.94 2pwm s GLN 95 Ca 0.12 1.80 -0.30 0.00 0.05 0.00 0.00 55.36 57.03 2pwm s GLN 95 Cb 0.16 -2.36 -0.07 0.00 1.10 0.00 0.00 33.01 31.85 2pwm s GLN 95 CO 0.53 -0.63 1.55 1.41 -0.55 0.00 0.00 175.29 177.60 2pwm s MET 96 N -2.77 4.23 0.67 1.67 -2.45 -1.26 -4.82 119.30 114.57 2pwm s MET 96 Ca 0.65 2.17 -0.17 0.00 -1.25 0.00 0.00 55.69 57.08 2pwm s MET 96 Cb -0.29 -3.62 0.00 0.00 1.25 0.00 0.00 34.83 32.17 2pwm s MET 96 CO 0.35 -0.68 1.27 -0.98 1.05 0.00 0.00 175.02 176.03 2pwm s ARG 97 N 2.65 2.44 0.27 4.11 1.70 -1.26 -4.90 118.95 123.95 2pwm s ARG 97 Ca 0.70 1.98 -0.29 0.00 -0.47 0.00 0.00 55.73 57.64 2pwm s ARG 97 Cb -0.36 -1.84 -0.09 0.00 -0.57 0.00 0.00 34.95 32.09 2pwm s ARG 97 CO 0.30 -1.66 1.24 -1.21 -1.08 0.00 0.00 175.30 172.88 2pwm s GLU 98 N -3.51 4.46 0.31 3.89 0.41 -1.26 -5.01 118.70 117.99 2pwm s GLU 98 Ca 0.80 2.02 -0.28 0.00 -0.41 0.00 0.00 54.97 57.10 2pwm s GLU 98 Cb -0.35 -3.15 -0.09 0.00 -1.78 0.00 0.00 34.13 28.75 2pwm s GLU 98 CO 0.41 -0.08 1.10 -1.25 -0.49 0.00 0.00 175.26 174.95 2pwm s PRO 99 N -1.09 4.51 0.74 0.39 0.04 -1.26 -5.05 135.00 133.28 2pwm s PRO 99 Ca 0.50 1.77 -0.03 0.00 0.04 0.00 0.00 61.00 63.28 2pwm s PRO 99 Cb -0.36 -3.04 0.13 0.00 0.04 0.00 0.00 34.50 31.27 2pwm s PRO 99 CO 0.44 0.10 1.02 1.03 0.04 0.00 0.00 177.00 179.64 2pwm s ARG 100 N -1.69 1.64 0.17 4.56 0.52 -1.26 -4.92 118.95 117.96 2pwm s ARG 100 Ca 0.48 -0.94 -0.16 0.00 -0.52 0.00 0.00 55.73 54.59 2pwm s ARG 100 Cb -0.30 -2.27 0.12 0.00 0.52 0.00 0.00 34.95 33.02 2pwm s ARG 100 CO 0.39 -1.51 1.69 0.78 0.02 0.00 0.00 175.30 176.67 2pwm h GLY 101 N -0.64 0.39 2.00 -3.53 0.00 -1.92 -1.82 103.07 97.56 2pwm h GLY 101 Ca -0.38 0.07 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 2pwm h GLY 101 CO 0.42 -0.12 -0.12 1.48 0.00 0.00 0.00 176.54 178.20 2pwm h SER 102 N 0.08 0.00 -0.15 0.19 4.64 -1.95 -1.46 113.55 114.91 2pwm h SER 102 Ca 0.20 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.37 2pwm h SER 102 Cb 0.30 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.39 2pwm h SER 102 CO -0.36 0.12 -0.51 0.44 -0.87 0.00 0.00 176.83 175.66 2pwm h ASP 103 N 0.00 0.70 -0.93 4.97 3.32 -1.68 -1.51 116.42 121.28 2pwm h ASP 103 Ca -0.00 -0.61 0.04 0.00 0.02 0.00 0.00 57.03 56.48 2pwm h ASP 103 Cb 0.36 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 39.65 2pwm h ASP 103 CO 0.02 1.18 0.61 0.40 -1.72 0.00 0.00 179.24 179.73 2pwm h ILE 104 N 0.25 1.15 -0.00 0.35 2.04 -0.87 -2.39 117.51 118.03 2pwm h ILE 104 Ca -0.02 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.44 2pwm h ILE 104 Cb 1.13 -0.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.10 2pwm h ILE 104 CO 0.11 0.21 -0.12 0.00 0.00 0.00 0.00 178.15 178.35 2pwm n ALA 105 N -2.39 2.69 -0.92 1.87 0.00 -0.60 -4.62 120.51 116.55 2pwm n ALA 105 Ca 0.13 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2pwm n ALA 105 Cb 0.11 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.19 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 1.39 0.51 0.12 0.00 0.00 -0.90 -4.90 105.19 101.41 2pwm n GLY 106 Ca 0.10 -0.25 0.01 0.00 0.00 0.00 0.00 46.02 45.89 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 0.87 -0.07 2.61 1.35 -1.53 -3.37 112.91 112.76 2pwm h THR 107 Ca 0.00 -2.29 0.00 0.00 -0.55 0.00 0.00 66.41 63.57 2pwm h THR 107 Cb 0.00 2.38 0.00 0.00 -1.73 0.00 0.00 68.15 68.80 2pwm h THR 107 CO 0.00 0.49 0.00 0.35 -0.25 0.00 0.00 175.52 176.11 2pwm n THR 108 N -3.16 0.83 -4.62 6.82 -2.24 -1.05 -5.03 114.28 105.82 2pwm n THR 108 Ca -0.01 -0.91 -0.29 0.00 -2.27 0.00 0.00 64.05 60.57 2pwm n THR 108 Cb 0.78 0.60 -0.14 0.00 -2.10 0.00 0.00 70.33 69.47 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 -0.87 3.12 0.53 3.42 1.04 -1.26 -4.84 113.70 114.84 2pwm s SER 109 Ca 0.05 -0.66 -0.04 0.00 0.48 0.00 0.00 55.95 55.79 2pwm s SER 109 Cb 0.03 -0.24 -0.00 0.00 0.10 0.00 0.00 66.02 65.91 2pwm s SER 109 CO 0.04 0.20 0.82 0.42 0.98 0.00 0.00 173.24 175.70 2pwm s THR 110 N -0.94 3.99 0.19 2.02 -4.23 -1.26 -4.90 115.64 110.51 2pwm s THR 110 Ca 0.12 -0.10 -0.16 0.00 -1.18 0.00 0.00 61.69 60.37 2pwm s THR 110 Cb -0.10 -3.54 0.18 0.00 1.34 0.00 0.00 72.50 70.38 2pwm s THR 110 CO 0.04 -0.50 1.62 0.25 -0.54 0.00 0.00 174.62 175.49 2pwm h LEU 111 N 0.06 -0.67 -0.83 4.79 5.85 -1.99 -1.15 115.31 121.37 2pwm h LEU 111 Ca -0.46 0.18 0.06 0.00 0.84 0.00 0.00 57.88 58.50 2pwm h LEU 111 Cb 1.25 0.40 -0.06 0.00 0.37 0.00 0.00 40.66 42.62 2pwm h LEU 111 CO 0.60 -0.22 0.51 -0.61 -0.34 0.00 0.00 178.44 178.38 2pwm h GLN 112 N -0.05 0.92 -0.58 1.25 5.75 -1.99 -1.14 115.11 119.26 2pwm h GLN 112 Ca 0.26 -0.06 -0.03 0.00 -0.15 0.00 0.00 58.65 58.67 2pwm h GLN 112 Cb 0.46 -0.21 -0.03 0.00 1.07 0.00 0.00 27.48 28.78 2pwm h GLN 112 CO -0.60 0.61 0.23 0.93 -2.65 0.00 0.00 178.83 177.35 2pwm h GLU 113 N 0.94 0.86 -0.18 1.69 5.08 -1.79 0.85 114.58 122.04 2pwm h GLU 113 Ca 0.36 -0.16 0.03 0.00 -1.00 0.00 0.00 59.36 58.59 2pwm h GLU 113 Cb 0.14 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 2pwm h GLU 113 CO -0.16 0.74 -0.00 1.96 -1.00 0.00 0.00 179.01 180.54 2pwm h GLN 114 N 0.79 0.05 -0.79 2.33 4.20 -0.45 -0.24 115.11 121.01 2pwm h GLN 114 Ca 0.19 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.89 2pwm h GLN 114 Cb 0.20 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.93 2pwm h GLN 114 CO -0.02 0.03 0.46 0.82 -0.67 0.00 0.00 178.83 179.46 2pwm h ILE 115 N 0.05 1.23 -0.41 2.54 1.08 -1.06 -0.07 117.51 120.86 2pwm h ILE 115 Ca 0.08 -0.52 0.06 0.00 -0.39 0.00 0.00 64.86 64.10 2pwm h ILE 115 Cb 0.10 0.14 -0.05 0.00 -3.07 0.00 0.00 36.82 33.94 2pwm h ILE 115 CO -0.14 0.24 0.10 1.23 -0.69 0.00 0.00 178.15 178.88 2pwm h GLY 116 N 1.09 0.50 0.83 5.37 0.00 -0.20 -0.26 103.07 110.40 2pwm h GLY 116 Ca 0.28 -0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.55 2pwm h GLY 116 CO -0.05 -0.03 0.02 1.49 0.00 0.00 0.00 176.54 177.97 2pwm h TRP 117 N 0.23 0.36 -0.21 5.60 6.55 -0.73 -2.36 115.95 125.39 2pwm h TRP 117 Ca 0.20 -0.05 -0.01 0.00 0.95 0.00 0.00 58.89 59.98 2pwm h TRP 117 Cb 0.23 -0.10 -0.01 0.00 -0.86 0.00 0.00 29.16 28.43 2pwm h TRP 117 CO -0.19 0.50 0.11 0.52 -1.05 0.00 0.00 178.44 178.32 2pwm h MET 118 N 0.12 0.29 -0.47 0.49 2.86 -0.64 -0.33 114.93 117.24 2pwm h MET 118 Ca 0.06 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 2pwm h MET 118 Cb 0.34 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.94 2pwm h MET 118 CO 0.01 0.22 0.00 0.25 1.06 0.00 0.00 176.91 178.45 2pwm n THR 119 N -4.47 1.07 -0.65 2.22 -2.24 -0.14 -4.52 114.28 105.55 2pwm n THR 119 Ca 0.00 -1.04 -0.31 0.00 -2.27 0.00 0.00 64.05 60.44 2pwm n THR 119 Cb 0.10 0.46 0.18 0.00 -2.10 0.00 0.00 70.33 68.97 2pwm n THR 119 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2pwm n HIS 120 N 0.84 0.36 -3.96 4.78 -0.00 -0.89 -4.90 115.22 111.44 2pwm n HIS 120 Ca 0.16 0.30 -0.31 0.00 -0.00 0.00 0.00 57.72 57.88 2pwm n HIS 120 Cb 0.52 -1.94 -0.15 0.00 -0.00 0.00 0.00 29.99 28.42 2pwm n HIS 120 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 2pwm s ASN 121 N -2.55 4.33 0.61 0.26 2.47 -1.26 -1.42 114.94 117.38 2pwm s ASN 121 Ca 0.66 -1.66 -0.09 0.00 0.42 0.00 0.00 52.86 52.19 2pwm s ASN 121 Cb -0.23 -1.36 -0.01 0.00 -1.45 0.00 0.00 41.25 38.19 2pwm s ASN 121 CO 0.60 -0.31 0.98 -2.16 -3.72 0.00 0.00 177.10 172.49 2pwm s PRO 122 N 1.19 3.24 0.60 0.43 0.05 -1.26 -5.10 135.00 134.15 2pwm s PRO 122 Ca 0.02 0.41 -0.19 0.00 0.05 0.00 0.00 61.00 61.29 2pwm s PRO 122 Cb -0.19 -2.16 -0.03 0.00 0.05 0.00 0.00 34.50 32.17 2pwm s PRO 122 CO -0.10 -0.66 1.22 -2.30 0.05 0.00 0.00 177.00 175.21 2pwm n PRO 123 N -2.70 1.24 -3.69 0.56 -0.02 -0.51 -4.97 135.00 124.91 2pwm n PRO 123 Ca 0.05 0.47 -0.37 0.00 -2.02 0.00 0.00 63.50 61.63 2pwm n PRO 123 Cb 0.56 -2.44 -0.09 0.00 -0.02 0.00 0.00 33.50 31.51 2pwm n PRO 123 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2pwm s ILE 124 N -1.38 3.86 -1.39 4.25 1.01 -0.17 -4.97 121.20 122.40 2pwm s ILE 124 Ca 0.77 -2.85 -0.15 0.00 0.00 0.00 0.00 60.65 58.42 2pwm s ILE 124 Cb -0.40 -3.51 0.06 0.00 0.01 0.00 0.00 42.46 38.62 2pwm s ILE 124 CO 0.45 -0.88 2.03 -0.81 0.00 0.00 0.00 174.94 175.73 2pwm n PRO 125 N 3.61 3.03 0.21 2.79 -0.04 -1.26 -3.32 135.00 140.02 2pwm n PRO 125 Ca 0.07 -2.92 0.05 0.00 -0.04 0.00 0.00 63.50 60.67 2pwm n PRO 125 Cb 0.39 -3.31 0.46 0.00 -0.04 0.00 0.00 33.50 31.00 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 4.45 1.14 0.19 0.52 -1.51 -1.89 0.37 116.25 119.53 2pwm h VAL 126 Ca 0.51 -0.86 -0.01 0.00 -1.23 0.00 0.00 66.70 65.12 2pwm h VAL 126 Cb 0.71 1.47 0.00 0.00 -2.13 0.00 0.00 31.29 31.34 2pwm h VAL 126 CO 1.72 0.24 -0.09 1.23 -1.23 0.00 0.00 177.57 179.44 2pwm h GLY 127 N 0.78 -0.27 1.39 5.19 0.00 -1.85 -0.65 103.07 107.66 2pwm h GLY 127 Ca -0.00 0.10 -0.05 0.00 0.00 0.00 0.00 47.33 47.38 2pwm h GLY 127 CO 0.03 -0.10 0.11 0.83 0.00 0.00 0.00 176.54 177.41 2pwm h GLU 128 N -0.30 0.76 0.29 4.80 4.39 -1.44 -0.38 114.58 122.71 2pwm h GLU 128 Ca -0.03 -0.15 -0.01 0.00 0.34 0.00 0.00 59.36 59.51 2pwm h GLU 128 Cb 0.23 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 2pwm h GLU 128 CO 0.04 0.70 -0.14 0.82 -1.16 0.00 0.00 179.01 179.27 2pwm h ILE 129 N 0.74 0.73 -0.54 3.13 2.04 -0.93 -1.94 117.51 120.75 2pwm h ILE 129 Ca 0.16 -0.51 0.10 0.00 1.00 0.00 0.00 64.86 65.61 2pwm h ILE 129 Cb 0.29 1.00 -0.08 0.00 -0.74 0.00 0.00 36.82 37.30 2pwm h ILE 129 CO -0.00 0.10 0.11 0.22 0.00 0.00 0.00 178.15 178.59 2pwm h TYR 130 N -0.68 0.18 -0.95 1.37 3.20 -1.02 -1.10 116.97 117.98 2pwm h TYR 130 Ca -0.04 0.03 0.20 0.00 3.14 0.00 0.00 58.73 62.06 2pwm h TYR 130 Cb 0.47 0.00 -0.08 0.00 1.54 0.00 0.00 36.73 38.66 2pwm h TYR 130 CO 0.01 -0.01 0.61 0.87 -1.64 0.00 0.00 178.16 178.00 2pwm h LYS 131 N 0.25 0.54 -0.20 1.82 1.57 -1.00 0.91 116.57 120.45 2pwm h LYS 131 Ca 0.28 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.99 2pwm h LYS 131 Cb 0.38 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 2pwm h LYS 131 CO -0.35 0.36 0.02 -0.09 -0.57 0.00 0.00 179.45 178.81 2pwm h ARG 132 N 0.55 0.35 -0.90 3.15 2.43 -0.39 0.17 114.38 119.74 2pwm h ARG 132 Ca 0.51 -0.10 0.04 0.00 -0.81 0.00 0.00 59.98 59.61 2pwm h ARG 132 Cb 1.05 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.51 2pwm h ARG 132 CO -0.25 0.52 0.58 -1.49 -1.51 0.00 0.00 179.97 177.83 2pwm h TRP 133 N 0.13 1.09 -0.28 2.20 6.55 -0.97 -0.54 115.95 124.13 2pwm h TRP 133 Ca 0.06 0.03 -0.03 0.00 0.95 0.00 0.00 58.89 59.90 2pwm h TRP 133 Cb 0.35 -0.36 -0.01 0.00 -0.86 0.00 0.00 29.16 28.28 2pwm h TRP 133 CO 0.03 0.62 0.07 0.82 -1.05 0.00 0.00 178.44 178.93 2pwm h ILE 134 N 1.12 1.21 -0.77 1.49 2.04 -0.37 -1.98 117.51 120.25 2pwm h ILE 134 Ca 0.36 -0.70 -0.02 0.00 1.00 0.00 0.00 64.86 65.51 2pwm h ILE 134 Cb 0.03 1.14 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 2pwm h ILE 134 CO -0.13 0.23 0.42 0.40 0.00 0.00 0.00 178.15 179.08 2pwm h ILE 135 N 0.29 1.23 -0.56 -0.67 2.04 -0.49 0.05 117.51 119.39 2pwm h ILE 135 Ca 0.09 -0.57 0.08 0.00 1.00 0.00 0.00 64.86 65.46 2pwm h ILE 135 Cb 0.28 0.18 -0.06 0.00 -0.74 0.00 0.00 36.82 36.48 2pwm h ILE 135 CO 0.00 0.26 0.21 0.25 0.00 0.00 0.00 178.15 178.87 2pwm h LEU 136 N 1.08 0.22 -0.15 1.44 5.85 -0.98 -0.12 115.31 122.65 2pwm h LEU 136 Ca 0.27 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 59.05 2pwm h LEU 136 Cb 0.03 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 2pwm h LEU 136 CO -0.04 0.14 0.05 1.23 -0.34 0.00 0.00 178.44 179.48 2pwm h GLY 137 N 0.40 0.24 0.43 3.75 0.00 -0.54 -2.98 103.07 104.37 2pwm h GLY 137 Ca 0.28 -0.14 0.13 0.00 0.00 0.00 0.00 47.33 47.61 2pwm h GLY 137 CO -0.27 0.13 0.62 1.41 0.00 0.00 0.00 176.54 178.43 2pwm h LEU 138 N 0.07 0.87 -1.53 3.11 3.38 -0.80 -1.57 115.31 118.85 2pwm h LEU 138 Ca 0.05 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 2pwm h LEU 138 Cb 0.19 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 2pwm h LEU 138 CO -0.00 0.44 -0.12 0.78 0.09 0.00 0.00 178.44 179.62 2pwm h ASN 139 N 0.92 0.00 -0.05 -0.43 2.35 -0.87 0.11 115.58 117.61 2pwm h ASN 139 Ca 0.50 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 56.17 2pwm h ASN 139 Cb 0.59 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.96 2pwm h ASN 139 CO -0.27 0.12 -0.29 0.11 -1.65 0.00 0.00 177.43 175.45 2pwm h LYS 140 N 0.00 0.28 -0.38 0.81 1.57 -1.32 -3.37 116.57 114.16 2pwm h LYS 140 Ca -0.00 -0.24 -0.10 0.00 -1.87 0.00 0.00 60.65 58.43 2pwm h LYS 140 Cb 0.53 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.88 2pwm h LYS 140 CO 0.02 0.90 -0.19 0.82 -0.57 0.00 0.00 179.45 180.43 2pwm h ILE 141 N -0.25 1.27 -0.11 1.86 1.08 -0.77 -3.06 117.51 117.51 2pwm h ILE 141 Ca -0.02 -1.26 0.03 0.00 -0.39 0.00 0.00 64.86 63.22 2pwm h ILE 141 Cb 0.96 1.17 -0.00 0.00 -3.07 0.00 0.00 36.82 35.88 2pwm h ILE 141 CO 0.06 0.42 0.11 -0.37 -0.69 0.00 0.00 178.15 177.68 2pwm h VAL 142 N 0.65 0.61 -0.24 1.67 -1.51 -0.93 0.06 116.25 116.56 2pwm h VAL 142 Ca 0.10 0.00 0.07 0.00 -1.23 0.00 0.00 66.70 65.64 2pwm h VAL 142 Cb 0.67 0.91 -0.01 0.00 -2.13 0.00 0.00 31.29 30.74 2pwm h VAL 142 CO 0.05 0.00 0.18 0.03 -1.23 0.00 0.00 177.57 176.60 2pwm h ARG 143 N 0.00 0.00 0.00 5.19 3.08 -1.74 -0.04 114.38 120.87 2pwm h ARG 143 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2pwm h ARG 143 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 2pwm h ARG 143 CO -0.00 0.00 0.00 0.52 -1.07 0.00 0.00 179.97 179.42 2pwm h MET 144 N 0.00 0.00 0.00 0.04 2.86 -1.18 -3.54 114.93 113.11 2pwm h MET 144 Ca 0.11 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 2pwm h MET 144 Cb 0.47 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.13 2pwm h MET 144 CO -0.00 0.00 0.00 0.66 1.06 0.00 0.00 176.91 178.63