#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s5l h LEU 13 N 0.00 -0.37 -1.83 1.20 5.85 -2.07 -2.30 115.31 115.79 1s5l h LEU 13 Ca 0.00 0.06 0.47 0.00 0.84 0.00 0.00 57.88 59.26 1s5l h LEU 13 Cb 0.00 0.17 -0.07 0.00 0.37 0.00 0.00 40.66 41.13 1s5l h LEU 13 CO 0.00 -0.17 1.27 -0.25 -0.34 0.00 0.00 178.44 178.94 1s5l h TRP 14 N -0.19 0.00 0.09 1.25 7.01 -2.07 0.87 115.95 122.91 1s5l h TRP 14 Ca 0.06 0.00 -0.28 0.00 2.11 0.00 0.00 58.89 60.78 1s5l h TRP 14 Cb 0.27 0.00 0.02 0.00 -2.10 0.00 0.00 29.16 27.35 1s5l h TRP 14 CO -0.20 0.00 -1.17 0.93 -2.79 0.00 0.00 178.44 175.21 1s5l h GLU 15 N 0.00 0.55 0.00 2.65 5.08 -1.87 -3.23 114.58 117.76 1s5l h GLU 15 Ca 0.78 -0.70 -0.06 0.00 -1.00 0.00 0.00 59.36 58.38 1s5l h GLU 15 Cb 3.30 0.23 -0.01 0.00 0.50 0.00 0.00 28.75 32.77 1s5l h GLU 15 CO -0.01 1.30 -0.28 -0.09 -1.00 0.00 0.00 179.01 178.94 1s5l h ARG 16 N 0.26 0.00 -0.02 2.33 2.43 0.75 -2.99 114.38 117.14 1s5l h ARG 16 Ca -0.15 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.00 1s5l h ARG 16 Cb 1.83 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.38 1s5l h ARG 16 CO 0.22 0.28 -0.04 0.35 -1.51 0.00 0.00 179.97 179.26 1s5l h PHE 17 N 0.00 0.08 -0.84 2.20 3.57 -1.56 -3.27 116.94 117.11 1s5l h PHE 17 Ca -0.00 -0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.53 1s5l h PHE 17 Cb 0.55 -0.01 -0.06 0.00 2.79 0.00 0.00 35.95 39.22 1s5l h PHE 17 CO 0.00 0.64 0.52 0.00 -2.23 0.00 0.00 178.31 177.24 1s5l h ASN 19 N 0.93 0.91 0.62 0.00 2.35 -1.62 -1.40 115.58 117.37 1s5l h ASN 19 Ca 0.37 -0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 56.08 1s5l h ASN 19 Cb 0.20 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.35 1s5l h ASN 19 CO -0.18 0.64 -0.34 -0.25 -1.65 0.00 0.00 177.43 175.65 1s5l h TRP 20 N 1.06 -0.90 -0.96 1.19 7.01 -1.33 -2.99 115.95 119.04 1s5l h TRP 20 Ca 0.31 -0.01 0.22 0.00 2.11 0.00 0.00 58.89 61.52 1s5l h TRP 20 Cb -0.06 0.31 -0.12 0.00 -2.10 0.00 0.00 29.16 27.19 1s5l h TRP 20 CO -0.00 -0.53 0.52 0.28 -2.79 0.00 0.00 178.44 175.92 1s5l h VAL 21 N -0.88 0.55 -0.29 2.65 2.07 -1.32 -3.13 116.25 115.90 1s5l h VAL 21 Ca -0.08 -0.19 -0.13 0.00 0.82 0.00 0.00 66.70 67.12 1s5l h VAL 21 Cb 0.69 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1s5l h VAL 21 CO 0.11 0.10 -0.34 0.74 0.02 0.00 0.00 177.57 178.20 1s5l h THR 22 N 0.55 1.29 -3.78 2.57 2.02 -1.12 -3.29 112.91 111.14 1s5l h THR 22 Ca 0.60 -1.48 0.00 0.00 0.77 0.00 0.00 66.41 66.30 1s5l h THR 22 Cb 1.09 1.43 0.00 0.00 -1.74 0.00 0.00 68.15 68.93 1s5l h THR 22 CO -0.47 0.47 0.00 -0.24 0.37 0.00 0.00 175.52 175.65 1s5l n SER 23 N -4.06 1.09 -4.72 4.18 2.88 -1.15 -4.96 113.62 106.88 1s5l n SER 23 Ca -0.01 -0.78 -0.42 0.00 -1.33 0.00 0.00 58.87 56.33 1s5l n SER 23 Cb 0.49 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.92 1s5l n SER 23 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1s5l s THR 24 N 0.26 2.05 -0.14 2.46 -1.32 -1.26 -4.73 115.64 112.96 1s5l s THR 24 Ca 0.00 0.04 0.17 0.00 -1.21 0.00 0.00 61.69 60.69 1s5l s THR 24 Cb 0.00 -3.02 0.30 0.00 -1.51 0.00 0.00 72.50 68.27 1s5l s THR 24 CO 0.00 0.00 1.18 0.47 -2.21 0.00 0.00 174.62 174.06 1s5l n ASP 25 N 3.89 2.55 -1.35 8.08 9.92 -1.08 -4.99 116.55 133.58 1s5l n ASP 25 Ca 0.15 -2.97 -0.16 0.00 -0.53 0.00 0.00 54.79 51.29 1s5l n ASP 25 Cb 0.35 -0.41 -0.06 0.00 -0.64 0.00 0.00 41.12 40.37 1s5l n ASP 25 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1s5l n ASN 26 N -1.19 -4.89 0.11 -2.24 5.15 -1.26 -4.57 115.26 106.37 1s5l n ASN 26 Ca 0.15 0.31 0.00 0.00 -0.60 0.00 0.00 54.58 54.44 1s5l n ASN 26 Cb 0.64 -3.83 0.00 0.00 -0.53 0.00 0.00 39.78 36.06 1s5l n ASN 26 CO 0.00 0.00 0.00 -2.11 1.40 0.00 0.00 177.26 176.55 1s5l n ARG 27 N -2.54 0.00 -1.23 1.20 1.85 -1.26 -5.15 116.66 109.53 1s5l n ARG 27 Ca -0.17 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.68 1s5l n ARG 27 Cb 0.55 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.96 1s5l n ARG 27 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1s5l n LEU 28 N -2.98 0.00 -3.92 2.89 4.77 -1.26 -5.14 117.00 111.36 1s5l n LEU 28 Ca 0.00 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.72 1s5l n LEU 28 Cb 0.00 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 40.92 1s5l n LEU 28 CO 0.00 0.00 -0.44 -0.47 -1.33 0.00 0.00 177.39 175.15 1s5l s TYR 29 N -3.79 1.45 -0.57 -1.77 6.14 -1.26 -2.63 117.35 114.92 1s5l s TYR 29 Ca 0.00 -0.69 0.06 0.00 0.64 0.00 0.00 57.07 57.08 1s5l s TYR 29 Cb 0.00 -1.19 0.24 0.00 0.42 0.00 0.00 41.96 41.43 1s5l s TYR 29 CO 0.00 -0.47 0.66 0.28 0.64 0.00 0.00 175.55 176.65 1s5l n VAL 30 N 4.78 1.41 -1.69 3.14 0.31 -1.26 -4.94 118.33 120.08 1s5l n VAL 30 Ca -0.14 -4.83 -0.29 0.00 -0.01 0.00 0.00 64.34 59.07 1s5l n VAL 30 Cb 0.50 -2.06 0.14 0.00 -0.91 0.00 0.00 33.84 31.51 1s5l n VAL 30 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1s5l s GLY 31 N -1.99 1.62 0.31 2.92 0.00 -1.24 -4.63 107.32 104.31 1s5l s GLY 31 Ca 0.37 -0.71 0.27 0.00 0.00 0.00 0.00 44.72 44.65 1s5l s GLY 31 CO -0.06 -0.12 0.93 0.79 0.00 0.00 0.00 173.10 174.65 1s5l n TRP 32 N -3.68 0.14 0.07 1.90 5.03 -1.26 0.31 117.44 119.94 1s5l n TRP 32 Ca 0.09 0.14 -0.08 0.00 3.03 0.00 0.00 57.50 60.67 1s5l n TRP 32 Cb 0.60 -0.46 0.04 0.00 -1.03 0.00 0.00 31.31 30.45 1s5l n TRP 32 CO 0.00 0.00 0.00 0.74 -0.03 0.00 0.00 177.69 178.40 1s5l h PHE 33 N 0.00 0.41 -0.18 -5.99 0.05 -1.91 -2.99 116.94 106.32 1s5l h PHE 33 Ca 0.55 -0.19 0.00 0.00 3.82 0.00 0.00 57.97 62.15 1s5l h PHE 33 Cb 2.09 -0.06 0.00 0.00 2.00 0.00 0.00 35.95 39.98 1s5l h PHE 33 CO -0.00 0.94 0.00 0.41 -0.18 0.00 0.00 178.31 179.48 1s5l n GLY 34 N 0.60 0.22 0.23 -1.45 0.00 0.91 -1.92 105.19 103.77 1s5l n GLY 34 Ca -0.04 -0.38 0.12 0.00 0.00 0.00 0.00 46.02 45.73 1s5l n GLY 34 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1s5l h VAL 35 N 1.97 0.07 0.00 1.61 2.07 -1.31 -2.06 116.25 118.59 1s5l h VAL 35 Ca 0.00 -0.99 -0.18 0.00 0.82 0.00 0.00 66.70 66.36 1s5l h VAL 35 Cb 0.43 1.93 -0.03 0.00 -1.52 0.00 0.00 31.29 32.10 1s5l h VAL 35 CO 0.00 0.04 -1.68 -0.38 0.02 0.00 0.00 177.57 175.57 1s5l n ILE 36 N -3.11 0.68 -0.31 4.57 5.41 -1.20 -4.48 119.36 120.92 1s5l n ILE 36 Ca 0.03 -0.26 -0.02 0.00 1.00 0.00 0.00 62.75 63.51 1s5l n ILE 36 Cb 0.50 -0.92 0.11 0.00 -0.71 0.00 0.00 39.64 38.62 1s5l n ILE 36 CO 0.00 0.00 0.00 -0.03 0.00 0.00 0.00 176.55 176.52 1s5l h MET 37 N 0.00 1.02 -0.21 0.38 4.05 -1.44 -1.43 114.93 117.29 1s5l h MET 37 Ca -0.26 -0.06 -0.12 0.00 -0.28 0.00 0.00 59.70 58.98 1s5l h MET 37 Cb 1.41 -0.23 -0.00 0.00 -0.80 0.00 0.00 31.60 31.98 1s5l h MET 37 CO -0.04 0.68 -0.32 0.82 0.23 0.00 0.00 176.91 178.28 1s5l h ILE 38 N 1.05 1.33 0.00 1.77 1.08 -1.63 -1.86 117.51 119.26 1s5l h ILE 38 Ca 0.34 -1.52 -0.16 0.00 -0.39 0.00 0.00 64.86 63.13 1s5l h ILE 38 Cb 0.01 1.79 -0.02 0.00 -3.07 0.00 0.00 36.82 35.53 1s5l h ILE 38 CO -0.12 0.47 -0.77 1.55 -0.69 0.00 0.00 178.15 178.59 1s5l h PRO 39 N 0.28 0.00 0.42 2.37 0.13 -1.77 -3.21 132.00 130.22 1s5l h PRO 39 Ca 0.02 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.13 1s5l h PRO 39 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1s5l h PRO 39 CO 0.07 0.77 -0.20 1.15 -0.23 0.00 0.00 178.00 179.56 1s5l h THR 40 N 0.00 0.00 0.00 1.56 2.02 -1.26 -2.98 112.91 112.25 1s5l h THR 40 Ca -0.01 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.97 1s5l h THR 40 Cb 1.40 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 1s5l h THR 40 CO 0.10 0.00 0.15 -0.07 0.37 0.00 0.00 175.52 176.07 1s5l h LEU 41 N -0.76 0.00 0.03 2.58 3.38 -1.49 -1.55 115.31 117.49 1s5l h LEU 41 Ca -0.06 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.79 1s5l h LEU 41 Cb 0.43 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.19 1s5l h LEU 41 CO 0.09 0.00 -0.50 -0.07 0.09 0.00 0.00 178.44 178.06 1s5l h LEU 42 N 0.00 0.39 -1.32 1.67 3.38 -1.54 -1.84 115.31 116.05 1s5l h LEU 42 Ca 0.00 -0.82 -0.00 0.00 0.09 0.00 0.00 57.88 57.15 1s5l h LEU 42 Cb 0.31 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1s5l h LEU 42 CO 0.00 1.16 0.37 0.00 0.09 0.00 0.00 178.44 180.06 1s5l h ALA 43 N 0.24 1.49 0.14 1.53 0.00 -1.13 -0.44 119.26 121.08 1s5l h ALA 43 Ca -0.07 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1s5l h ALA 43 Cb 1.26 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1s5l h ALA 43 CO 0.10 0.44 -0.07 0.00 0.00 0.00 0.00 179.25 179.72 1s5l h ALA 44 N 1.56 -0.18 0.01 0.00 0.00 -1.54 -1.68 119.26 117.43 1s5l h ALA 44 Ca 0.22 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1s5l h ALA 44 Cb -0.03 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1s5l h ALA 44 CO -0.04 -0.35 -0.09 1.15 0.00 0.00 0.00 179.25 179.92 1s5l h THR 45 N -0.68 0.00 -0.23 0.00 2.02 -1.05 0.57 112.91 113.55 1s5l h THR 45 Ca -0.02 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.19 1s5l h THR 45 Cb 0.51 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.86 1s5l h THR 45 CO 0.03 0.00 -0.41 0.40 0.37 0.00 0.00 175.52 175.91 1s5l h ILE 46 N -0.11 0.00 -0.36 3.11 1.08 -1.19 0.37 117.51 120.41 1s5l h ILE 46 Ca 0.00 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.52 1s5l h ILE 46 Cb 0.12 0.00 -0.08 0.00 -3.07 0.00 0.00 36.82 33.79 1s5l h ILE 46 CO -0.05 0.00 -0.53 0.00 -0.69 0.00 0.00 178.15 176.88 1s5l h PHE 48 N -0.42 0.55 -0.42 0.00 3.57 0.13 0.19 116.94 120.54 1s5l h PHE 48 Ca 0.08 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 1s5l h PHE 48 Cb 0.61 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.20 1s5l h PHE 48 CO -0.68 0.11 0.25 0.28 -2.23 0.00 0.00 178.31 176.04 1s5l h VAL 49 N 0.49 1.14 -0.21 1.41 2.07 0.27 -2.51 116.25 118.91 1s5l h VAL 49 Ca 0.40 -0.32 -0.12 0.00 0.82 0.00 0.00 66.70 67.48 1s5l h VAL 49 Cb 0.57 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1s5l h VAL 49 CO -0.37 0.14 -0.38 0.40 0.02 0.00 0.00 177.57 177.38 1s5l h ILE 50 N 0.55 1.30 -0.61 4.57 2.04 -0.73 -2.65 117.51 121.98 1s5l h ILE 50 Ca 0.15 -1.52 -0.04 0.00 1.00 0.00 0.00 64.86 64.45 1s5l h ILE 50 Cb 0.01 1.55 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 1s5l h ILE 50 CO -0.03 0.47 0.22 0.00 0.00 0.00 0.00 178.15 178.82 1s5l h ALA 51 N 1.18 1.23 0.00 1.87 0.00 -0.42 -1.39 119.26 121.73 1s5l h ALA 51 Ca 0.04 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1s5l h ALA 51 Cb 0.85 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1s5l h ALA 51 CO 0.07 0.55 -0.27 0.35 0.00 0.00 0.00 179.25 179.95 1s5l h PHE 52 N 0.89 0.00 0.00 0.00 -0.00 -1.26 0.22 116.94 116.79 1s5l h PHE 52 Ca 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.18 1s5l h PHE 52 Cb 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.16 1s5l h PHE 52 CO 0.01 0.27 -0.85 -0.89 -0.00 0.00 0.00 178.31 176.86 1s5l n ILE 53 N -3.32 0.02 -0.57 1.41 5.41 -0.88 0.37 119.36 121.81 1s5l n ILE 53 Ca 0.01 -0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.72 1s5l n ILE 53 Cb 0.51 0.63 0.00 0.00 -0.71 0.00 0.00 39.64 40.07 1s5l n ILE 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1s5l n ALA 54 N -1.55 0.00 -1.29 -1.39 0.00 -0.58 -3.24 120.51 112.46 1s5l n ALA 54 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.06 1s5l n ALA 54 Cb 0.35 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.79 1s5l n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s5l n ALA 55 N 0.00 -2.94 -1.96 0.00 0.00 0.06 -4.91 120.51 110.76 1s5l n ALA 55 Ca 0.00 0.18 -0.24 0.00 0.00 0.00 0.00 53.44 53.38 1s5l n ALA 55 Cb 0.00 -1.47 0.08 0.00 0.00 0.00 0.00 19.45 18.06 1s5l n ALA 55 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1s5l s PRO 56 N -0.98 2.00 0.78 0.00 0.02 -1.26 -4.68 135.00 130.88 1s5l s PRO 56 Ca 0.59 -0.68 -0.15 0.00 0.02 0.00 0.00 61.00 60.79 1s5l s PRO 56 Cb -0.68 -2.28 0.03 0.00 0.02 0.00 0.00 34.50 31.59 1s5l s PRO 56 CO 0.60 -1.26 0.91 -0.35 -0.33 0.00 0.00 177.00 176.57 1s5l n PRO 57 N -2.81 0.25 -3.96 5.54 -0.04 -1.26 -4.85 135.00 127.87 1s5l n PRO 57 Ca 0.11 0.15 -0.17 0.00 -0.04 0.00 0.00 63.50 63.54 1s5l n PRO 57 Cb 0.60 -2.19 -0.16 0.00 -0.04 0.00 0.00 33.50 31.71 1s5l n PRO 57 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1s5l s VAL 58 N -2.02 0.22 -0.60 0.52 1.01 0.23 -4.42 120.40 115.34 1s5l s VAL 58 Ca 0.70 0.05 -0.21 0.00 0.00 0.00 0.00 61.98 62.51 1s5l s VAL 58 Cb -0.31 -0.29 0.07 0.00 0.00 0.00 0.00 36.38 35.85 1s5l s VAL 58 CO 0.54 0.15 0.84 1.51 0.00 0.00 0.00 175.10 178.14 1s5l s ASP 59 N 0.92 6.21 0.15 3.32 -4.77 -1.18 -0.95 116.67 120.38 1s5l s ASP 59 Ca -0.10 -0.97 -0.25 0.00 -3.30 0.00 0.00 52.55 47.93 1s5l s ASP 59 Cb -0.13 -2.37 0.00 0.00 -1.09 0.00 0.00 42.92 39.33 1s5l s ASP 59 CO -0.01 -1.23 1.60 0.40 0.70 0.00 0.00 175.17 176.62 1s5l h ILE 60 N 5.95 0.23 -0.92 2.11 2.04 -1.81 -3.25 117.51 121.87 1s5l h ILE 60 Ca -0.28 0.00 -0.55 0.00 1.00 0.00 0.00 64.86 65.03 1s5l h ILE 60 Cb 1.08 0.23 -0.28 0.00 -0.74 0.00 0.00 36.82 37.12 1s5l h ILE 60 CO 1.11 0.00 0.70 0.47 0.00 0.00 0.00 178.15 180.43 1s5l n ASP 61 N -5.42 5.48 0.00 1.72 8.00 -1.26 -0.65 116.55 124.43 1s5l n ASP 61 Ca -0.02 -3.57 0.00 0.00 0.71 0.00 0.00 54.79 51.91 1s5l n ASP 61 Cb 0.34 -0.90 0.00 0.00 -0.02 0.00 0.00 41.12 40.54 1s5l n ASP 61 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1s5l n GLY 62 N -0.88 1.03 3.23 0.44 0.00 -1.23 -4.58 105.19 103.21 1s5l n GLY 62 Ca 0.56 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.24 1s5l n GLY 62 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1s5l n ILE 63 N 0.00 0.00 -1.51 -0.61 5.41 -1.26 -4.82 119.36 116.57 1s5l n ILE 63 Ca 0.00 -0.28 -0.31 0.00 1.00 0.00 0.00 62.75 63.16 1s5l n ILE 63 Cb 0.00 -0.37 0.02 0.00 -0.71 0.00 0.00 39.64 38.57 1s5l n ILE 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1s5l n ARG 64 N -0.10 2.48 -3.92 0.38 5.12 -1.26 -4.73 116.66 114.62 1s5l n ARG 64 Ca 0.02 -2.81 -0.30 0.00 -1.93 0.00 0.00 57.85 52.84 1s5l n ARG 64 Cb 0.58 -2.14 -0.14 0.00 -1.16 0.00 0.00 32.46 29.61 1s5l n ARG 64 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 1s5l s GLU 65 N -2.93 2.00 0.34 5.56 2.12 -1.26 -5.10 118.70 119.43 1s5l s GLU 65 Ca 0.54 -2.70 -0.29 0.00 0.36 0.00 0.00 54.97 52.88 1s5l s GLU 65 Cb 0.41 -3.26 -0.10 0.00 0.26 0.00 0.00 34.13 31.43 1s5l s GLU 65 CO -0.21 -1.14 1.34 -2.14 -0.54 0.00 0.00 175.26 172.57 1s5l s PRO 66 N -0.44 4.30 -0.11 4.30 0.02 -1.26 -4.58 135.00 137.23 1s5l s PRO 66 Ca 0.18 2.29 0.01 0.00 0.02 0.00 0.00 61.00 63.50 1s5l s PRO 66 Cb -0.22 -3.05 -0.02 0.00 0.02 0.00 0.00 34.50 31.23 1s5l s PRO 66 CO -0.03 -0.26 -0.13 0.08 -0.33 0.00 0.00 177.00 176.34 1s5l s VAL 67 N -1.14 3.14 -0.23 3.83 1.01 -0.12 -4.78 120.40 122.11 1s5l s VAL 67 Ca 0.50 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.84 1s5l s VAL 67 Cb -0.41 -2.29 0.05 0.00 0.00 0.00 0.00 36.38 33.73 1s5l s VAL 67 CO 0.55 0.54 -0.10 -0.94 0.00 0.00 0.00 175.10 175.16 1s5l s SER 68 N 0.00 3.88 -0.70 3.32 1.04 -1.26 0.76 113.70 120.75 1s5l s SER 68 Ca -0.03 -1.14 0.04 0.00 0.48 0.00 0.00 55.95 55.30 1s5l s SER 68 Cb -0.14 -1.34 0.27 0.00 0.10 0.00 0.00 66.02 64.91 1s5l s SER 68 CO 0.04 -0.18 0.90 0.61 0.98 0.00 0.00 173.24 175.59 1s5l n GLY 69 N 4.59 5.02 3.36 7.32 0.00 -1.26 -4.93 105.19 119.29 1s5l n GLY 69 Ca -0.14 -2.76 -0.19 0.00 0.00 0.00 0.00 46.02 42.93 1s5l n GLY 69 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s5l s SER 70 N -2.51 2.26 0.10 1.61 1.04 -1.26 -2.19 113.70 112.75 1s5l s SER 70 Ca 0.40 -1.18 -0.20 0.00 0.48 0.00 0.00 55.95 55.46 1s5l s SER 70 Cb 0.16 -0.08 -0.08 0.00 0.10 0.00 0.00 66.02 66.12 1s5l s SER 70 CO -0.01 -0.40 1.63 -0.07 0.98 0.00 0.00 173.24 175.36 1s5l h LEU 71 N 2.42 0.31 -0.97 2.42 3.38 -0.26 -3.13 115.31 119.47 1s5l h LEU 71 Ca -0.39 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.32 1s5l h LEU 71 Cb 1.22 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 1s5l h LEU 71 CO 0.65 0.40 -0.19 -0.07 0.09 0.00 0.00 178.44 179.32 1s5l h LEU 72 N 0.20 0.52 -2.83 1.67 3.38 -1.80 -3.15 115.31 113.30 1s5l h LEU 72 Ca 0.07 -0.16 -0.12 0.00 0.09 0.00 0.00 57.88 57.76 1s5l h LEU 72 Cb 0.19 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.74 1s5l h LEU 72 CO -0.01 0.72 0.16 -1.22 0.09 0.00 0.00 178.44 178.18 1s5l n TYR 73 N -4.15 0.65 -1.90 1.13 0.53 -1.20 -4.78 117.16 107.43 1s5l n TYR 73 Ca 0.00 -1.11 0.00 0.00 -1.02 0.00 0.00 57.90 55.77 1s5l n TYR 73 Cb 0.37 -0.55 0.00 0.00 -1.03 0.00 0.00 39.34 38.13 1s5l n TYR 73 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1s5l n GLY 74 N 0.61 0.75 3.33 2.72 0.00 -1.20 -4.81 105.19 106.58 1s5l n GLY 74 Ca 0.13 -0.49 -0.18 0.00 0.00 0.00 0.00 46.02 45.48 1s5l n GLY 74 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1s5l s ASN 75 N -2.76 2.41 0.31 1.61 0.02 -1.19 -5.01 114.94 110.34 1s5l s ASN 75 Ca 0.00 -1.03 0.10 0.00 -1.02 0.00 0.00 52.86 50.92 1s5l s ASN 75 Cb 0.00 -0.11 -0.06 0.00 0.02 0.00 0.00 41.25 41.10 1s5l s ASN 75 CO 0.00 -0.21 -0.10 0.54 0.02 0.00 0.00 177.10 177.34 1s5l s ASN 76 N -3.29 3.84 0.28 -1.22 2.20 -1.26 -4.72 114.94 110.77 1s5l s ASN 76 Ca 0.22 -1.05 -0.01 0.00 -0.94 0.00 0.00 52.86 51.08 1s5l s ASN 76 Cb 0.00 -0.41 0.64 0.00 -2.00 0.00 0.00 41.25 39.49 1s5l s ASN 76 CO 0.06 -0.11 1.47 -0.38 -2.94 0.00 0.00 177.10 175.20 1s5l n ILE 77 N -0.77 -0.40 0.13 0.54 5.41 -1.26 -0.32 119.36 122.69 1s5l n ILE 77 Ca -0.05 2.09 -0.01 0.00 1.00 0.00 0.00 62.75 65.78 1s5l n ILE 77 Cb 0.62 -3.01 0.15 0.00 -0.71 0.00 0.00 39.64 36.68 1s5l n ILE 77 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1s5l h ILE 78 N 0.00 1.38 0.00 1.39 2.04 -2.00 -3.24 117.51 117.08 1s5l h ILE 78 Ca 0.54 -2.22 0.00 0.00 1.00 0.00 0.00 64.86 64.18 1s5l h ILE 78 Cb 1.05 2.22 0.00 0.00 -0.74 0.00 0.00 36.82 39.35 1s5l h ILE 78 CO -0.91 0.62 0.12 0.74 0.00 0.00 0.00 178.15 178.72 1s5l h THR 79 N 0.00 0.00 0.00 -0.27 2.02 -1.07 -2.08 112.91 111.51 1s5l h THR 79 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1s5l h THR 79 Cb 1.17 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 68.35 1s5l h THR 79 CO 0.08 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.58 1s5l n GLY 80 N -1.17 1.58 0.00 2.16 0.00 -1.22 -4.68 105.19 101.85 1s5l n GLY 80 Ca -0.02 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.06 1s5l n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s5l n ALA 81 N -1.23 0.00 -1.53 4.61 0.00 -0.93 -4.48 120.51 116.95 1s5l n ALA 81 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.99 1s5l n ALA 81 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1s5l n ALA 81 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1s5l n VAL 82 N 0.00 0.20 -3.18 0.00 0.31 -1.25 -4.13 118.33 110.28 1s5l n VAL 82 Ca 0.00 -0.42 -0.39 0.00 -0.01 0.00 0.00 64.34 63.52 1s5l n VAL 82 Cb 0.00 -2.15 -0.06 0.00 -0.91 0.00 0.00 33.84 30.72 1s5l n VAL 82 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1s5l s VAL 83 N 8.62 4.69 0.55 2.52 1.01 -1.26 -2.36 120.40 134.16 1s5l s VAL 83 Ca 1.05 1.35 -0.18 0.00 0.00 0.00 0.00 61.98 64.21 1s5l s VAL 83 Cb -0.55 -3.97 -0.12 0.00 0.00 0.00 0.00 36.38 31.73 1s5l s VAL 83 CO 0.40 0.51 0.14 -2.65 0.00 0.00 0.00 175.10 173.50 1s5l n PRO 84 N 1.93 0.21 -0.49 2.72 -0.02 -1.26 -4.49 135.00 133.60 1s5l n PRO 84 Ca -0.08 0.08 -0.29 0.00 -2.02 0.00 0.00 63.50 61.20 1s5l n PRO 84 Cb 0.50 -1.31 0.25 0.00 -0.02 0.00 0.00 33.50 32.93 1s5l n PRO 84 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1s5l n SER 85 N 1.63 -1.68 -4.67 2.55 7.64 -1.26 -4.58 113.62 113.25 1s5l n SER 85 Ca 0.09 -0.14 -0.30 0.00 1.01 0.00 0.00 58.87 59.54 1s5l n SER 85 Cb 0.48 -1.26 0.16 0.00 -1.01 0.00 0.00 64.21 62.58 1s5l n SER 85 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1s5l s SER 86 N -2.38 2.93 0.00 6.43 0.15 -0.74 -3.84 113.70 116.25 1s5l s SER 86 Ca 0.68 1.72 0.26 0.00 0.70 0.00 0.00 55.95 59.32 1s5l s SER 86 Cb -0.25 -2.35 0.76 0.00 -1.71 0.00 0.00 66.02 62.48 1s5l s SER 86 CO 0.65 -3.02 1.60 -3.20 1.20 0.00 0.00 173.24 170.47 1s5l n ASN 87 N -4.15 0.33 -0.03 5.45 2.85 0.18 -0.17 115.26 119.72 1s5l n ASN 87 Ca 0.08 0.02 -0.16 0.00 -0.11 0.00 0.00 54.58 54.41 1s5l n ASN 87 Cb 0.54 -0.02 -0.14 0.00 1.24 0.00 0.00 39.78 41.40 1s5l n ASN 87 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1s5l h ALA 88 N 2.99 -0.03 0.00 5.20 0.00 -1.87 -3.10 119.26 122.45 1s5l h ALA 88 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1s5l h ALA 88 Cb 0.50 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1s5l h ALA 88 CO 0.00 0.13 0.00 0.82 0.00 0.00 0.00 179.25 180.20 1s5l h ILE 89 N -0.76 0.00 0.00 0.00 2.04 -1.93 -3.42 117.51 113.44 1s5l h ILE 89 Ca -0.05 -0.75 0.00 0.00 1.00 0.00 0.00 64.86 65.06 1s5l h ILE 89 Cb 1.22 1.74 0.00 0.00 -0.74 0.00 0.00 36.82 39.05 1s5l h ILE 89 CO 0.06 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.82 1s5l n GLY 90 N 1.12 0.00 0.00 5.37 0.00 0.76 0.70 105.19 113.15 1s5l n GLY 90 Ca 0.04 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.16 1s5l n GLY 90 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1s5l n LEU 91 N 0.00 0.36 -4.65 0.99 7.94 -1.25 0.95 117.00 121.34 1s5l n LEU 91 Ca 0.00 -0.21 -0.29 0.00 -1.11 0.00 0.00 56.01 54.40 1s5l n LEU 91 Cb 0.00 0.00 0.19 0.00 0.53 0.00 0.00 43.42 44.14 1s5l n LEU 91 CO 0.00 0.09 0.63 -1.00 -1.11 0.00 0.00 177.39 176.00 1s5l s HIS 92 N -3.05 1.86 -0.31 1.96 3.76 0.22 -4.93 115.29 114.79 1s5l s HIS 92 Ca -0.01 0.91 -0.22 0.00 -0.15 0.00 0.00 55.06 55.59 1s5l s HIS 92 Cb 0.13 -3.29 -0.00 0.00 1.11 0.00 0.00 32.58 30.52 1s5l s HIS 92 CO 0.76 -3.11 0.70 0.12 -0.85 0.00 0.00 174.74 172.36 1s5l s PHE 93 N -2.95 3.20 -0.71 1.40 5.99 -1.26 -5.01 117.98 118.64 1s5l s PHE 93 Ca 0.66 0.67 0.03 0.00 0.00 0.00 0.00 56.93 58.29 1s5l s PHE 93 Cb -0.18 -3.10 0.17 0.00 0.00 0.00 0.00 43.02 39.91 1s5l s PHE 93 CO 0.58 -0.53 0.51 -0.47 -0.00 0.00 0.00 175.22 175.31 1s5l s TYR 94 N 2.77 3.56 0.69 10.12 5.04 -1.26 -5.03 117.35 133.24 1s5l s TYR 94 Ca 0.28 -3.21 -0.06 0.00 -2.44 0.00 0.00 57.07 51.64 1s5l s TYR 94 Cb -0.15 -2.87 0.15 0.00 0.35 0.00 0.00 41.96 39.44 1s5l s TYR 94 CO 0.12 -0.64 0.94 -0.35 -1.34 0.00 0.00 175.55 174.29 1s5l n PRO 95 N 2.33 -0.44 -0.06 4.97 -0.04 -1.26 -4.78 135.00 135.72 1s5l n PRO 95 Ca 0.17 -2.03 -0.14 0.00 -0.04 0.00 0.00 63.50 61.46 1s5l n PRO 95 Cb 0.35 -0.79 -0.13 0.00 -0.04 0.00 0.00 33.50 32.89 1s5l n PRO 95 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1s5l h ILE 96 N -1.01 1.76 -0.99 0.52 2.04 -1.97 -3.30 117.51 114.55 1s5l h ILE 96 Ca -0.31 -2.24 0.19 0.00 1.00 0.00 0.00 64.86 63.50 1s5l h ILE 96 Cb 1.00 3.28 -0.10 0.00 -0.74 0.00 0.00 36.82 40.26 1s5l h ILE 96 CO 0.28 0.58 0.61 4.11 0.00 0.00 0.00 178.15 183.73 1s5l h TRP 97 N -0.96 0.97 0.00 1.37 0.09 -1.95 -0.40 115.95 115.07 1s5l h TRP 97 Ca -0.00 0.03 0.00 0.00 0.09 0.00 0.00 58.89 59.01 1s5l h TRP 97 Cb 0.95 -0.29 0.00 0.00 0.08 0.00 0.00 29.16 29.90 1s5l h TRP 97 CO 0.26 0.23 0.00 -1.91 0.09 0.00 0.00 178.44 177.11 1s5l n GLU 98 N -4.71 0.14 0.00 0.12 4.07 -1.24 -4.71 120.64 114.31 1s5l n GLU 98 Ca 0.23 0.54 0.00 0.00 -0.06 0.00 0.00 57.16 57.86 1s5l n GLU 98 Cb 0.60 -1.88 0.00 0.00 -0.06 0.00 0.00 31.44 30.10 1s5l n GLU 98 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1s5l n ALA 99 N -1.75 0.00 -2.65 4.31 0.00 -0.16 -4.98 120.51 115.28 1s5l n ALA 99 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1s5l n ALA 99 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.56 1s5l n ALA 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s5l n ALA 100 N -3.00 0.00 -1.38 0.00 0.00 -1.26 -5.06 120.51 109.81 1s5l n ALA 100 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 1s5l n ALA 100 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.54 1s5l n ALA 100 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1s5l n SER 101 N 0.00 0.87 0.27 0.00 3.41 -1.26 -4.83 113.62 112.09 1s5l n SER 101 Ca 0.00 0.68 0.17 0.00 -0.26 0.00 0.00 58.87 59.46 1s5l n SER 101 Cb 0.00 -1.45 0.66 0.00 -0.26 0.00 0.00 64.21 63.16 1s5l n SER 101 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1s5l h LEU 102 N -0.23 0.00 -1.28 1.04 3.38 -1.97 -1.59 115.31 114.67 1s5l h LEU 102 Ca -0.48 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.47 1s5l h LEU 102 Cb 1.33 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.05 1s5l h LEU 102 CO 0.48 0.00 0.21 0.44 0.09 0.00 0.00 178.44 179.66 1s5l h ASP 103 N 0.00 0.64 0.00 -0.43 3.32 -1.99 0.70 116.42 118.65 1s5l h ASP 103 Ca -0.00 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1s5l h ASP 103 Cb 0.54 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1s5l h ASP 103 CO 0.00 0.57 0.00 1.21 -1.72 0.00 0.00 179.24 179.30 1s5l n GLU 104 N -4.36 0.00 -0.14 3.56 2.13 -0.63 -3.20 120.64 118.01 1s5l n GLU 104 Ca 0.04 0.20 -0.03 0.00 0.66 0.00 0.00 57.16 58.03 1s5l n GLU 104 Cb 0.15 -1.05 -0.03 0.00 0.27 0.00 0.00 31.44 30.77 1s5l n GLU 104 CO 0.00 0.00 0.00 1.87 -0.41 0.00 0.00 177.13 178.59 1s5l n TRP 105 N -1.10 -0.13 -0.21 4.31 -0.00 -1.02 0.27 117.44 119.56 1s5l n TRP 105 Ca 0.00 0.41 0.29 0.00 -0.00 0.00 0.00 57.50 58.20 1s5l n TRP 105 Cb 0.00 -0.54 0.72 0.00 -0.00 0.00 0.00 31.31 31.49 1s5l n TRP 105 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 1s5l h LEU 106 N 0.00 0.03 0.25 5.87 3.38 -0.96 -1.49 115.31 122.39 1s5l h LEU 106 Ca 0.06 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.70 1s5l h LEU 106 Cb 0.14 -0.00 0.04 0.00 0.09 0.00 0.00 40.66 40.93 1s5l h LEU 106 CO -0.31 0.01 -1.44 0.22 0.09 0.00 0.00 178.44 177.01 1s5l h TYR 107 N 0.03 0.95 -0.15 1.13 3.20 0.38 -3.34 116.97 119.17 1s5l h TYR 107 Ca 0.46 -0.70 0.00 0.00 3.14 0.00 0.00 58.73 61.63 1s5l h TYR 107 Cb 1.79 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 40.02 1s5l h TYR 107 CO -0.00 1.55 0.00 0.09 -1.64 0.00 0.00 178.16 178.16 1s5l n ASN 108 N -3.75 1.76 0.00 -2.11 3.02 -0.58 -3.09 115.26 110.51 1s5l n ASN 108 Ca -0.17 -2.15 0.00 0.00 -0.03 0.00 0.00 54.58 52.23 1s5l n ASN 108 Cb 1.09 -0.40 0.00 0.00 -0.61 0.00 0.00 39.78 39.85 1s5l n ASN 108 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s5l n GLY 109 N 0.37 0.51 0.20 7.41 0.00 -1.15 -1.79 105.19 110.74 1s5l n GLY 109 Ca 0.07 -0.43 -0.05 0.00 0.00 0.00 0.00 46.02 45.60 1s5l n GLY 109 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s5l n GLY 110 N -2.89 -2.86 0.23 -0.02 0.00 -1.09 0.11 105.19 98.66 1s5l n GLY 110 Ca 0.00 0.88 0.18 0.00 0.00 0.00 0.00 46.02 47.08 1s5l n GLY 110 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1s5l n PRO 111 N -4.09 -0.05 0.00 1.61 -0.02 -1.26 -1.13 135.00 130.06 1s5l n PRO 111 Ca 0.01 0.98 -0.00 0.00 -2.02 0.00 0.00 63.50 62.47 1s5l n PRO 111 Cb 0.13 -1.69 -0.00 0.00 -0.02 0.00 0.00 33.50 31.92 1s5l n PRO 111 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 1s5l h TYR 112 N 0.00 -0.02 -0.23 6.00 3.20 -0.56 -0.57 116.97 124.80 1s5l h TYR 112 Ca 0.53 0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.45 1s5l h TYR 112 Cb 1.30 0.01 -0.07 0.00 1.54 0.00 0.00 36.73 39.51 1s5l h TYR 112 CO -0.13 -0.01 -0.39 1.96 -1.64 0.00 0.00 178.16 177.95 1s5l h GLN 113 N -0.01 -0.39 -0.49 1.82 4.20 -1.20 0.27 115.11 119.31 1s5l h GLN 113 Ca 0.00 0.03 0.08 0.00 0.06 0.00 0.00 58.65 58.82 1s5l h GLN 113 Cb 0.01 0.09 -0.10 0.00 0.30 0.00 0.00 27.48 27.78 1s5l h GLN 113 CO -0.00 -0.26 -0.38 1.25 -0.67 0.00 0.00 178.83 178.77 1s5l h LEU 114 N -0.40 -1.29 0.18 1.46 5.85 -1.41 -1.42 115.31 118.27 1s5l h LEU 114 Ca 0.11 0.22 -0.01 0.00 0.84 0.00 0.00 57.88 59.04 1s5l h LEU 114 Cb 0.59 0.60 0.00 0.00 0.37 0.00 0.00 40.66 42.22 1s5l h LEU 114 CO -0.45 -0.33 -0.09 0.40 -0.34 0.00 0.00 178.44 177.63 1s5l h ILE 115 N -0.25 0.83 0.00 4.05 2.04 -0.56 -3.00 117.51 120.62 1s5l h ILE 115 Ca 0.18 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 66.02 1s5l h ILE 115 Cb 0.56 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 1s5l h ILE 115 CO -0.62 0.00 0.00 -0.38 0.00 0.00 0.00 178.15 177.16 1s5l n ILE 116 N -5.19 0.00 -0.29 -0.67 5.41 0.03 -1.50 119.36 117.16 1s5l n ILE 116 Ca -0.09 1.30 0.10 0.00 1.00 0.00 0.00 62.75 65.07 1s5l n ILE 116 Cb 0.12 -2.04 0.24 0.00 -0.71 0.00 0.00 39.64 37.25 1s5l n ILE 116 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 1s5l h PHE 117 N 0.00 0.09 -0.06 1.39 0.05 -1.39 0.18 116.94 117.20 1s5l h PHE 117 Ca 0.00 0.06 -0.00 0.00 3.82 0.00 0.00 57.97 61.85 1s5l h PHE 117 Cb 0.00 0.09 -0.00 0.00 2.00 0.00 0.00 35.95 38.04 1s5l h PHE 117 CO -0.24 -0.27 0.03 0.45 -0.18 0.00 0.00 178.31 178.10 1s5l h HIS 118 N 0.12 0.08 -0.85 -0.55 3.86 -1.48 -2.38 115.15 113.96 1s5l h HIS 118 Ca 0.51 -0.00 0.10 0.00 -1.16 0.00 0.00 60.37 59.81 1s5l h HIS 118 Cb 0.98 -0.02 -0.07 0.00 1.06 0.00 0.00 27.41 29.35 1s5l h HIS 118 CO -0.38 0.13 0.49 0.35 0.86 0.00 0.00 177.93 179.38 1s5l h PHE 119 N 0.00 0.89 0.15 2.45 3.57 0.38 0.62 116.94 125.00 1s5l h PHE 119 Ca 0.02 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1s5l h PHE 119 Cb 0.08 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.54 1s5l h PHE 119 CO -0.05 0.37 -0.07 -0.07 -2.23 0.00 0.00 178.31 176.26 1s5l h LEU 120 N 0.82 -0.17 0.11 0.59 3.38 -0.93 0.44 115.31 119.56 1s5l h LEU 120 Ca 0.41 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 58.22 1s5l h LEU 120 Cb 0.37 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 1s5l h LEU 120 CO -0.25 0.09 -0.33 -0.07 0.09 0.00 0.00 178.44 177.97 1s5l h LEU 121 N -0.43 -0.96 -1.65 1.67 3.38 -1.02 1.33 115.31 117.63 1s5l h LEU 121 Ca -0.02 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1s5l h LEU 121 Cb 0.34 0.37 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 1s5l h LEU 121 CO 0.03 -0.41 -0.09 1.23 0.09 0.00 0.00 178.44 179.29 1s5l h GLY 122 N -0.55 0.00 1.32 0.83 0.00 -0.91 -0.31 103.07 103.45 1s5l h GLY 122 Ca 0.03 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.15 1s5l h GLY 122 CO -0.20 0.00 -0.78 0.00 0.00 0.00 0.00 176.54 175.55 1s5l h ALA 123 N 1.91 0.39 -0.05 3.60 0.00 0.18 -0.46 119.26 124.83 1s5l h ALA 123 Ca -0.00 -0.61 -0.01 0.00 0.00 0.00 0.00 54.91 54.29 1s5l h ALA 123 Cb 0.47 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1s5l h ALA 123 CO 0.01 0.71 0.01 1.03 0.00 0.00 0.00 179.25 181.01 1s5l h SER 124 N 0.45 0.09 0.23 0.00 0.87 0.25 -2.93 113.55 112.50 1s5l h SER 124 Ca -0.05 -0.26 -0.05 0.00 -1.23 0.00 0.00 61.79 60.20 1s5l h SER 124 Cb 1.40 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 63.33 1s5l h SER 124 CO 0.15 0.32 -0.23 0.00 -0.53 0.00 0.00 176.83 176.55 1s5l h TYR 126 N 0.00 0.00 0.04 0.00 3.20 -0.89 0.28 116.97 119.61 1s5l h TYR 126 Ca -0.00 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.75 1s5l h TYR 126 Cb 0.41 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.69 1s5l h TYR 126 CO 0.00 0.00 -0.48 1.98 -1.64 0.00 0.00 178.16 178.02 1s5l h MET 127 N 0.00 0.25 0.06 1.82 4.05 -1.00 -3.01 114.93 117.10 1s5l h MET 127 Ca 0.01 -0.33 0.02 0.00 -0.28 0.00 0.00 59.70 59.12 1s5l h MET 127 Cb 0.05 0.11 -0.03 0.00 -0.80 0.00 0.00 31.60 30.93 1s5l h MET 127 CO -0.00 1.08 -0.17 0.78 0.23 0.00 0.00 176.91 178.83 1s5l h GLY 128 N -0.43 -0.28 -0.57 1.39 0.00 -0.79 -1.22 103.07 101.17 1s5l h GLY 128 Ca -0.07 0.20 0.32 0.00 0.00 0.00 0.00 47.33 47.78 1s5l h GLY 128 CO 0.09 -0.16 0.53 -0.09 0.00 0.00 0.00 176.54 176.91 1s5l h ARG 129 N -0.31 0.27 -0.84 4.80 2.43 -0.59 0.19 114.38 120.34 1s5l h ARG 129 Ca 0.03 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1s5l h ARG 129 Cb 0.35 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.80 1s5l h ARG 129 CO -0.12 0.18 0.51 1.96 -1.51 0.00 0.00 179.97 180.99 1s5l h GLN 130 N 0.28 1.14 0.25 0.20 4.20 -1.08 -1.96 115.11 118.13 1s5l h GLN 130 Ca 0.73 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 59.33 1s5l h GLN 130 Cb 1.69 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 29.23 1s5l h GLN 130 CO -0.63 0.80 -0.12 2.35 -0.67 0.00 0.00 178.83 180.56 1s5l h TRP 131 N 1.15 -0.31 -1.05 2.96 7.01 -0.52 -3.22 115.95 121.96 1s5l h TRP 131 Ca 0.30 -0.01 0.27 0.00 2.11 0.00 0.00 58.89 61.57 1s5l h TRP 131 Cb -0.05 0.10 -0.10 0.00 -2.10 0.00 0.00 29.16 27.01 1s5l h TRP 131 CO -0.00 0.07 0.67 1.49 -2.79 0.00 0.00 178.44 177.88 1s5l h GLU 132 N -0.84 0.38 -0.15 2.65 4.81 -1.19 1.17 114.58 121.40 1s5l h GLU 132 Ca -0.03 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.12 1s5l h GLU 132 Cb 0.51 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 1s5l h GLU 132 CO 0.06 0.25 -0.16 1.25 -0.73 0.00 0.00 179.01 179.67 1s5l h LEU 133 N 0.39 0.23 -0.55 1.64 5.85 -1.38 -2.29 115.31 119.20 1s5l h LEU 133 Ca 0.61 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 59.25 1s5l h LEU 133 Cb 1.55 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.49 1s5l h LEU 133 CO -0.32 0.42 0.23 0.28 -0.34 0.00 0.00 178.44 178.71 1s5l h SER 134 N 0.23 0.75 0.18 1.25 0.02 0.14 -2.29 113.55 113.82 1s5l h SER 134 Ca 0.04 -0.16 -0.03 0.00 -0.84 0.00 0.00 61.79 60.81 1s5l h SER 134 Cb 0.43 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.77 1s5l h SER 134 CO 0.03 0.71 -0.12 0.22 -1.14 0.00 0.00 176.83 176.52 1s5l h TYR 135 N 0.75 0.00 -0.01 3.45 3.20 -0.94 -0.95 116.97 122.48 1s5l h TYR 135 Ca 0.18 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.05 1s5l h TYR 135 Cb 0.18 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.45 1s5l h TYR 135 CO 0.01 0.12 -0.34 0.54 -1.64 0.00 0.00 178.16 176.85 1s5l n ARG 136 N -4.11 0.59 -0.20 1.82 5.12 -1.01 -3.94 116.66 114.94 1s5l n ARG 136 Ca -0.02 -0.35 0.08 0.00 -1.93 0.00 0.00 57.85 55.62 1s5l n ARG 136 Cb 0.20 -1.49 0.12 0.00 -1.16 0.00 0.00 32.46 30.13 1s5l n ARG 136 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1s5l n LEU 137 N -0.90 1.94 0.00 0.55 4.77 -0.64 -5.02 117.00 117.71 1s5l n LEU 137 Ca 0.10 -2.76 0.00 0.00 -0.03 0.00 0.00 56.01 53.32 1s5l n LEU 137 Cb 0.34 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1s5l n LEU 137 CO 0.29 0.67 0.00 0.61 -1.33 0.00 0.00 177.39 177.63 1s5l n GLY 138 N -1.14 0.00 3.92 -0.72 0.00 -0.45 -4.94 105.19 101.87 1s5l n GLY 138 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 1s5l n GLY 138 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1s5l s MET 139 N -0.87 2.32 1.15 1.61 0.23 -1.07 -5.02 119.30 117.65 1s5l s MET 139 Ca 0.00 -0.17 -0.14 0.00 -1.03 0.00 0.00 55.69 54.35 1s5l s MET 139 Cb 0.00 -2.17 0.27 0.00 -1.53 0.00 0.00 34.83 31.40 1s5l s MET 139 CO 0.00 -1.17 1.04 1.03 -2.03 0.00 0.00 175.02 173.89 1s5l s ARG 140 N -5.23 -0.80 -0.63 3.16 0.52 -1.26 -4.58 118.95 110.13 1s5l s ARG 140 Ca 0.59 0.55 -0.00 0.00 -0.52 0.00 0.00 55.73 56.35 1s5l s ARG 140 Cb -0.11 -1.59 0.16 0.00 0.52 0.00 0.00 34.95 33.93 1s5l s ARG 140 CO 0.45 -3.57 0.43 -1.25 0.02 0.00 0.00 175.30 171.39 1s5l s PRO 141 N -4.76 2.48 0.00 3.54 0.04 -1.26 -4.79 135.00 130.25 1s5l s PRO 141 Ca 0.68 -2.72 0.00 0.00 0.04 0.00 0.00 61.00 59.00 1s5l s PRO 141 Cb -0.21 -3.62 0.00 0.00 0.04 0.00 0.00 34.50 30.72 1s5l s PRO 141 CO 0.61 -1.18 0.00 0.91 0.04 0.00 0.00 177.00 177.39 1s5l n TRP 142 N 3.11 0.00 0.12 0.56 7.02 -1.26 -4.71 117.44 122.29 1s5l n TRP 142 Ca 0.10 0.00 0.19 0.00 -1.02 0.00 0.00 57.50 56.77 1s5l n TRP 142 Cb 0.36 0.09 0.77 0.00 -2.42 0.00 0.00 31.31 30.10 1s5l n TRP 142 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 1s5l h ILE 143 N 0.00 0.44 -0.82 -0.99 2.04 -1.94 1.49 117.51 117.72 1s5l h ILE 143 Ca 0.00 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 1s5l h ILE 143 Cb 0.73 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 37.49 1s5l h ILE 143 CO 0.00 0.00 0.38 0.00 0.00 0.00 0.00 178.15 178.53 1s5l h VAL 145 N 1.17 1.29 0.00 0.00 2.07 0.18 -3.14 116.25 117.81 1s5l h VAL 145 Ca 0.28 -1.61 -0.05 0.00 0.82 0.00 0.00 66.70 66.14 1s5l h VAL 145 Cb 0.13 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 1s5l h VAL 145 CO -0.03 0.52 -0.26 0.00 0.02 0.00 0.00 177.57 177.82 1s5l h ALA 146 N 0.70 1.06 -0.04 1.67 0.00 -1.41 -2.47 119.26 118.76 1s5l h ALA 146 Ca 0.03 -0.24 -0.22 0.00 0.00 0.00 0.00 54.91 54.49 1s5l h ALA 146 Cb 1.02 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1s5l h ALA 146 CO 0.10 0.33 -0.88 -0.92 0.00 0.00 0.00 179.25 177.88 1s5l h TYR 147 N 0.00 0.72 -0.51 0.00 -0.00 -1.61 -3.19 116.97 112.39 1s5l h TYR 147 Ca -0.00 -0.36 0.15 0.00 -0.00 0.00 0.00 58.73 58.51 1s5l h TYR 147 Cb 0.73 -0.09 -0.02 0.00 -0.00 0.00 0.00 36.73 37.34 1s5l h TYR 147 CO 0.00 1.17 0.74 0.77 -0.00 0.00 0.00 178.16 180.84 1s5l h SER 148 N 0.31 0.00 0.34 -2.11 0.02 -1.39 -2.52 113.55 108.21 1s5l h SER 148 Ca -0.07 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.86 1s5l h SER 148 Cb 1.50 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.04 1s5l h SER 148 CO 0.16 0.00 -0.16 0.00 -1.14 0.00 0.00 176.83 175.68 1s5l h ALA 149 N 0.99 -0.75 -0.10 3.77 0.00 -1.66 -2.15 119.26 119.36 1s5l h ALA 149 Ca 0.24 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1s5l h ALA 149 Cb 1.73 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.69 1s5l h ALA 149 CO -0.00 -0.72 0.05 -1.00 0.00 0.00 0.00 179.25 177.59 1s5l h PRO 150 N -0.66 0.13 -0.57 0.00 0.13 -1.68 -1.49 132.00 127.86 1s5l h PRO 150 Ca -0.05 -0.01 0.06 0.00 -0.87 0.00 0.00 66.00 65.12 1s5l h PRO 150 Cb 0.35 -0.03 -0.08 0.00 0.13 0.00 0.00 31.00 31.37 1s5l h PRO 150 CO 0.08 0.16 -0.45 1.25 -0.23 0.00 0.00 178.00 178.81 1s5l h LEU 151 N 0.07 -1.59 -1.14 1.56 5.85 -1.61 1.87 115.31 120.32 1s5l h LEU 151 Ca 0.03 0.23 0.30 0.00 0.84 0.00 0.00 57.88 59.28 1s5l h LEU 151 Cb 0.07 0.68 -0.12 0.00 0.37 0.00 0.00 40.66 41.65 1s5l h LEU 151 CO -0.01 -0.24 0.64 0.00 -0.34 0.00 0.00 178.44 178.49 1s5l h ALA 152 N -0.05 2.06 -0.18 1.25 0.00 -1.24 0.33 119.26 121.44 1s5l h ALA 152 Ca 0.09 0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1s5l h ALA 152 Cb 0.38 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1s5l h ALA 152 CO -0.61 -0.58 -0.09 1.03 0.00 0.00 0.00 179.25 179.00 1s5l h SER 153 N 0.40 0.39 0.08 0.00 0.87 0.37 -0.73 113.55 114.93 1s5l h SER 153 Ca 0.68 -0.41 0.02 0.00 -1.23 0.00 0.00 61.79 60.85 1s5l h SER 153 Cb 1.59 -0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 63.39 1s5l h SER 153 CO -0.46 0.71 -0.40 0.00 -0.53 0.00 0.00 176.83 176.15 1s5l h ALA 154 N 0.69 -0.68 -0.71 6.23 0.00 0.40 -0.20 119.26 124.98 1s5l h ALA 154 Ca 0.04 -0.06 0.15 0.00 0.00 0.00 0.00 54.91 55.05 1s5l h ALA 154 Cb 0.57 0.68 -0.13 0.00 0.00 0.00 0.00 17.79 18.91 1s5l h ALA 154 CO 0.03 -0.95 -0.04 0.74 0.00 0.00 0.00 179.25 179.02 1s5l h PHE 155 N -0.61 -0.13 -0.35 0.00 -1.00 -1.09 0.65 116.94 114.41 1s5l h PHE 155 Ca 0.03 0.06 0.07 0.00 2.81 0.00 0.00 57.97 60.94 1s5l h PHE 155 Cb 0.65 0.17 -0.07 0.00 3.61 0.00 0.00 35.95 40.31 1s5l h PHE 155 CO -0.37 -0.24 -0.10 0.00 -1.61 0.00 0.00 178.31 175.99 1s5l h ALA 156 N 1.67 0.20 -0.13 2.45 0.00 0.03 2.31 119.26 125.80 1s5l h ALA 156 Ca 0.37 0.13 -0.18 0.00 0.00 0.00 0.00 54.91 55.24 1s5l h ALA 156 Cb 0.63 0.30 0.01 0.00 0.00 0.00 0.00 17.79 18.72 1s5l h ALA 156 CO -0.65 -0.48 -0.61 0.28 0.00 0.00 0.00 179.25 177.79 1s5l h VAL 157 N -0.03 1.33 0.00 0.00 2.07 0.72 -2.44 116.25 117.90 1s5l h VAL 157 Ca 0.17 -1.88 -0.06 0.00 0.82 0.00 0.00 66.70 65.75 1s5l h VAL 157 Cb 0.28 2.10 -0.01 0.00 -1.52 0.00 0.00 31.29 32.15 1s5l h VAL 157 CO -0.37 0.58 -0.89 -0.26 0.02 0.00 0.00 177.57 176.65 1s5l h PHE 158 N 0.30 0.00 0.00 1.57 0.05 0.44 -3.39 116.94 115.91 1s5l h PHE 158 Ca -0.04 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.75 1s5l h PHE 158 Cb 1.25 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.20 1s5l h PHE 158 CO 0.10 0.22 0.00 -0.11 -0.18 0.00 0.00 178.31 178.35 1s5l n LEU 159 N -2.87 0.00 -0.10 1.54 7.94 0.77 -4.64 117.00 119.64 1s5l n LEU 159 Ca -0.02 0.00 0.01 0.00 -1.11 0.00 0.00 56.01 54.89 1s5l n LEU 159 Cb 0.65 0.00 0.02 0.00 0.53 0.00 0.00 43.42 44.62 1s5l n LEU 159 CO 0.40 0.00 0.16 -0.38 -1.11 0.00 0.00 177.39 176.46 1s5l n ILE 160 N -0.24 -0.12 0.31 1.96 5.41 -0.96 -0.05 119.36 125.66 1s5l n ILE 160 Ca 0.00 0.60 -0.12 0.00 1.00 0.00 0.00 62.75 64.23 1s5l n ILE 160 Cb 0.00 -0.81 -0.06 0.00 -0.71 0.00 0.00 39.64 38.06 1s5l n ILE 160 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 176.55 176.77 1s5l h TYR 161 N 0.00 -0.73 -0.33 1.39 3.20 -1.69 1.85 116.97 120.66 1s5l h TYR 161 Ca 0.11 -0.02 0.10 0.00 3.14 0.00 0.00 58.73 62.06 1s5l h TYR 161 Cb 0.17 0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 1s5l h TYR 161 CO -0.21 -0.45 0.43 -1.35 -1.64 0.00 0.00 178.16 174.94 1s5l h PRO 162 N -0.81 0.00 0.03 1.82 0.11 -0.71 1.12 132.00 133.56 1s5l h PRO 162 Ca -0.08 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.79 1s5l h PRO 162 Cb 0.60 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.71 1s5l h PRO 162 CO 0.13 0.00 -1.01 0.82 -0.21 0.00 0.00 178.00 177.73 1s5l h ILE 163 N 0.00 1.42 0.03 4.15 2.04 0.49 -1.34 117.51 124.30 1s5l h ILE 163 Ca 0.16 -2.59 -0.22 0.00 1.00 0.00 0.00 64.86 63.21 1s5l h ILE 163 Cb 1.02 2.55 -0.01 0.00 -0.74 0.00 0.00 36.82 39.64 1s5l h ILE 163 CO -0.00 0.77 -0.98 1.23 0.00 0.00 0.00 178.15 179.16 1s5l h GLY 164 N 1.32 0.17 1.66 5.37 0.00 0.83 -3.36 103.07 109.07 1s5l h GLY 164 Ca -0.09 -0.36 -0.21 0.00 0.00 0.00 0.00 47.33 46.67 1s5l h GLY 164 CO 0.17 0.32 -1.13 1.46 0.00 0.00 0.00 176.54 177.35 1s5l h GLN 165 N 0.07 0.00 0.00 4.80 1.08 0.95 -3.45 115.11 118.56 1s5l h GLN 165 Ca -0.05 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 1s5l h GLN 165 Cb 1.67 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.10 1s5l h GLN 165 CO 0.15 0.74 0.00 0.41 -0.95 0.00 0.00 178.83 179.17 1s5l n GLY 166 N 1.38 1.34 0.00 3.46 0.00 -0.56 -4.99 105.19 105.82 1s5l n GLY 166 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1s5l n GLY 166 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1s5l n SER 167 N 0.00 0.00 0.09 1.61 3.41 -0.87 -3.78 113.62 114.08 1s5l n SER 167 Ca 0.00 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.69 1s5l n SER 167 Cb 0.00 0.00 0.54 0.00 -0.26 0.00 0.00 64.21 64.49 1s5l n SER 167 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1s5l h PHE 168 N 0.00 0.27 -2.40 7.33 -1.00 0.37 -3.41 116.94 118.11 1s5l h PHE 168 Ca 0.00 0.01 -0.61 0.00 2.81 0.00 0.00 57.97 60.17 1s5l h PHE 168 Cb 0.00 -0.09 0.09 0.00 3.61 0.00 0.00 35.95 39.56 1s5l h PHE 168 CO 0.00 0.16 0.30 -1.13 -1.61 0.00 0.00 178.31 176.03 1s5l n SER 169 N -4.49 1.70 -2.21 2.17 3.41 -1.25 0.24 113.62 113.19 1s5l n SER 169 Ca 0.02 1.16 -0.13 0.00 -0.26 0.00 0.00 58.87 59.67 1s5l n SER 169 Cb 0.15 -1.31 0.04 0.00 -0.26 0.00 0.00 64.21 62.84 1s5l n SER 169 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1s5l n ASP 170 N 1.63 -4.11 0.00 4.04 9.92 -1.26 -4.95 116.55 121.83 1s5l n ASP 170 Ca 0.11 -0.30 0.00 0.00 -0.53 0.00 0.00 54.79 54.07 1s5l n ASP 170 Cb 0.30 -2.98 0.00 0.00 -0.64 0.00 0.00 41.12 37.80 1s5l n ASP 170 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1s5l n GLY 171 N -1.30 0.96 3.39 0.44 0.00 0.14 -4.70 105.19 104.12 1s5l n GLY 171 Ca -0.01 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.02 1s5l n GLY 171 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1s5l s MET 172 N 0.10 0.57 0.66 1.61 1.75 -1.26 -4.87 119.30 117.86 1s5l s MET 172 Ca 0.00 1.22 -0.17 0.00 -1.25 0.00 0.00 55.69 55.49 1s5l s MET 172 Cb 0.00 0.71 -0.03 0.00 2.84 0.00 0.00 34.83 38.36 1s5l s MET 172 CO 0.00 -0.42 0.95 -0.35 -0.65 0.00 0.00 175.02 174.55 1s5l n PRO 173 N 5.44 0.71 -1.07 4.11 -0.04 -1.26 -4.88 135.00 138.01 1s5l n PRO 173 Ca -0.06 0.29 -0.24 0.00 -0.04 0.00 0.00 63.50 63.44 1s5l n PRO 173 Cb 0.50 -2.18 0.06 0.00 -0.04 0.00 0.00 33.50 31.84 1s5l n PRO 173 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1s5l n LEU 174 N -1.14 6.98 -4.41 1.53 4.77 -1.00 -4.50 117.00 119.24 1s5l n LEU 174 Ca 0.14 -3.71 -0.20 0.00 -0.03 0.00 0.00 56.01 52.21 1s5l n LEU 174 Cb 0.48 -1.02 -0.10 0.00 -2.33 0.00 0.00 43.42 40.45 1s5l n LEU 174 CO 0.49 1.32 -0.31 -0.83 -1.33 0.00 0.00 177.39 176.73 1s5l s GLY 175 N -0.66 1.87 -0.03 -0.72 0.00 -1.26 -3.82 107.32 102.70 1s5l s GLY 175 Ca 0.45 -1.94 -0.19 0.00 0.00 0.00 0.00 44.72 43.04 1s5l s GLY 175 CO -0.01 -1.78 0.83 -2.22 0.00 0.00 0.00 173.10 169.92 1s5l h ILE 176 N 2.25 0.34 -0.38 0.90 2.04 -1.79 -3.15 117.51 117.71 1s5l h ILE 176 Ca -0.40 -0.72 0.08 0.00 1.00 0.00 0.00 64.86 64.82 1s5l h ILE 176 Cb 1.24 0.54 -0.09 0.00 -0.74 0.00 0.00 36.82 37.77 1s5l h ILE 176 CO 0.68 0.08 -0.22 -1.28 0.00 0.00 0.00 178.15 177.40 1s5l h SER 177 N -1.02 -0.74 0.09 1.72 0.87 -1.65 -1.46 113.55 111.37 1s5l h SER 177 Ca -0.05 0.16 -0.01 0.00 -1.23 0.00 0.00 61.79 60.66 1s5l h SER 177 Cb 0.49 0.38 -0.00 0.00 -0.44 0.00 0.00 62.40 62.84 1s5l h SER 177 CO 0.08 -0.25 -0.03 1.23 -0.53 0.00 0.00 176.83 177.33 1s5l h GLY 178 N -0.16 0.00 0.60 5.77 0.00 -1.85 -0.72 103.07 106.71 1s5l h GLY 178 Ca 0.19 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.56 1s5l h GLY 178 CO -0.48 0.00 -0.02 -0.84 0.00 0.00 0.00 176.54 175.20 1s5l h THR 179 N 0.00 0.81 -0.26 4.70 2.02 -1.22 0.27 112.91 119.24 1s5l h THR 179 Ca -0.00 -0.02 0.03 0.00 0.77 0.00 0.00 66.41 67.19 1s5l h THR 179 Cb 0.09 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 1s5l h THR 179 CO 0.00 0.01 0.07 -0.26 0.37 0.00 0.00 175.52 175.72 1s5l h PHE 180 N 0.05 0.13 0.41 3.16 -1.00 -1.12 -1.89 116.94 116.69 1s5l h PHE 180 Ca 0.11 0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.89 1s5l h PHE 180 Cb 0.16 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 39.68 1s5l h PHE 180 CO -0.21 0.05 -0.38 -0.97 -1.61 0.00 0.00 178.31 175.19 1s5l h ASN 181 N 0.18 -1.04 -1.00 2.17 -0.73 -0.84 -0.76 115.58 113.57 1s5l h ASN 181 Ca 0.12 0.08 0.40 0.00 1.87 0.00 0.00 56.30 58.76 1s5l h ASN 181 Cb 0.10 0.34 -0.17 0.00 0.27 0.00 0.00 38.32 38.85 1s5l h ASN 181 CO -0.13 -0.52 0.54 0.15 -0.37 0.00 0.00 177.43 177.10 1s5l h PHE 182 N -0.78 0.84 0.54 0.67 3.57 -0.28 0.12 116.94 121.62 1s5l h PHE 182 Ca -0.05 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 1s5l h PHE 182 Cb 0.67 -0.20 0.01 0.00 2.79 0.00 0.00 35.95 39.22 1s5l h PHE 182 CO -0.19 -0.41 -0.26 0.52 -2.23 0.00 0.00 178.31 175.74 1s5l h MET 183 N 0.07 -0.70 0.21 1.11 2.86 -0.62 -2.18 114.93 115.68 1s5l h MET 183 Ca 0.82 0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 58.50 1s5l h MET 183 Cb 2.11 0.16 -0.01 0.00 0.06 0.00 0.00 31.60 33.92 1s5l h MET 183 CO -0.74 -0.40 -0.19 0.82 1.06 0.00 0.00 176.91 177.47 1s5l h ILE 184 N -0.97 0.00 -0.89 -1.22 2.04 0.63 -2.05 117.51 115.05 1s5l h ILE 184 Ca -0.07 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.02 1s5l h ILE 184 Cb 0.63 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.56 1s5l h ILE 184 CO 0.12 0.00 0.14 0.58 0.00 0.00 0.00 178.15 179.00 1s5l h VAL 185 N -0.39 0.23 -0.38 1.67 2.07 -1.27 -1.50 116.25 116.68 1s5l h VAL 185 Ca -0.03 -0.04 0.07 0.00 0.82 0.00 0.00 66.70 67.52 1s5l h VAL 185 Cb 0.33 0.09 -0.06 0.00 -1.52 0.00 0.00 31.29 30.13 1s5l h VAL 185 CO -0.01 0.02 -0.00 0.15 0.02 0.00 0.00 177.57 177.75 1s5l h PHE 186 N 0.13 -0.03 -0.00 1.57 3.57 -0.97 -0.23 116.94 120.98 1s5l h PHE 186 Ca 0.55 0.03 0.00 0.00 3.53 0.00 0.00 57.97 62.07 1s5l h PHE 186 Cb 1.10 0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.91 1s5l h PHE 186 CO -0.35 -0.08 -0.10 0.94 -2.23 0.00 0.00 178.31 176.49 1s5l n GLN 187 N -5.19 0.20 0.10 1.11 0.00 -0.63 -0.92 117.38 112.05 1s5l n GLN 187 Ca 0.02 -0.04 0.09 0.00 -0.00 0.00 0.00 57.00 57.07 1s5l n GLN 187 Cb 0.20 -1.50 -0.00 0.00 0.00 0.00 0.00 30.24 28.94 1s5l n GLN 187 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1s5l h ALA 188 N 3.19 0.58 0.01 1.69 0.00 -0.60 -2.17 119.26 121.96 1s5l h ALA 188 Ca 0.00 -0.17 -0.37 0.00 0.00 0.00 0.00 54.91 54.37 1s5l h ALA 188 Cb 0.43 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 1s5l h ALA 188 CO 0.00 0.19 -2.32 0.39 0.00 0.00 0.00 179.25 177.51 1s5l n GLU 189 N -2.77 0.68 0.00 0.00 -0.58 -0.18 -4.65 120.64 113.13 1s5l n GLU 189 Ca -0.01 0.11 0.00 0.00 -0.42 0.00 0.00 57.16 56.84 1s5l n GLU 189 Cb 0.61 -1.57 -0.00 0.00 -0.57 0.00 0.00 31.44 29.91 1s5l n GLU 189 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1s5l n HIS 190 N -3.05 0.00 -3.05 -0.32 8.25 -0.10 -5.07 115.22 111.89 1s5l n HIS 190 Ca -0.36 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 56.99 1s5l n HIS 190 Cb 1.07 0.00 0.01 0.00 1.12 0.00 0.00 29.99 32.19 1s5l n HIS 190 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1s5l n ASN 191 N -0.93 -7.08 -0.05 0.41 2.85 -0.81 -2.50 115.26 107.15 1s5l n ASN 191 Ca 0.00 0.60 -0.20 0.00 -0.11 0.00 0.00 54.58 54.87 1s5l n ASN 191 Cb 0.01 -3.58 -0.13 0.00 1.24 0.00 0.00 39.78 37.33 1s5l n ASN 191 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 1s5l h ILE 192 N 2.72 1.18 -0.52 -1.44 2.04 -1.84 -2.86 117.51 116.79 1s5l h ILE 192 Ca -0.13 -2.32 0.15 0.00 1.00 0.00 0.00 64.86 63.56 1s5l h ILE 192 Cb 0.81 2.72 -0.10 0.00 -0.74 0.00 0.00 36.82 39.52 1s5l h ILE 192 CO 0.13 0.55 0.02 0.18 0.00 0.00 0.00 178.15 179.03 1s5l n LEU 193 N -4.25 -0.05 -2.54 1.44 4.77 -1.26 0.67 117.00 115.78 1s5l n LEU 193 Ca -0.24 0.89 -0.31 0.00 -0.03 0.00 0.00 56.01 56.32 1s5l n LEU 193 Cb 0.73 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1s5l n LEU 193 CO 0.32 -0.90 1.51 0.23 -1.33 0.00 0.00 177.39 177.22 1s5l n MET 194 N -4.60 2.47 -3.83 3.23 2.81 -1.26 -4.73 117.12 111.21 1s5l n MET 194 Ca 0.13 -2.74 -0.25 0.00 -1.81 0.00 0.00 57.70 53.03 1s5l n MET 194 Cb 0.41 -2.14 -0.17 0.00 -0.71 0.00 0.00 33.22 30.62 1s5l n MET 194 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 1s5l s HIS 195 N -2.73 1.02 0.37 2.03 5.04 0.21 -0.33 115.29 120.90 1s5l s HIS 195 Ca 0.54 -0.43 0.16 0.00 -1.54 0.00 0.00 55.06 53.79 1s5l s HIS 195 Cb 0.40 -0.99 1.06 0.00 0.04 0.00 0.00 32.58 33.09 1s5l s HIS 195 CO -0.24 -0.42 1.73 -1.00 -2.34 0.00 0.00 174.74 172.48 1s5l h PRO 196 N 8.26 0.40 0.00 2.88 0.13 -1.88 0.23 132.00 142.02 1s5l h PRO 196 Ca -0.24 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.85 1s5l h PRO 196 Cb 1.13 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.16 1s5l h PRO 196 CO 0.32 0.27 -0.08 0.74 -0.23 0.00 0.00 178.00 179.02 1s5l h PHE 197 N 0.42 0.00 0.00 1.56 0.05 -1.93 1.30 116.94 118.33 1s5l h PHE 197 Ca 0.65 0.00 0.00 0.00 3.82 0.00 0.00 57.97 62.44 1s5l h PHE 197 Cb 1.54 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.49 1s5l h PHE 197 CO -0.00 0.08 -1.16 1.58 -0.18 0.00 0.00 178.31 178.63 1s5l n HIS 198 N -3.41 0.07 0.15 -0.55 -0.00 -0.05 -2.73 115.22 108.70 1s5l n HIS 198 Ca -0.01 0.02 -0.25 0.00 0.46 0.00 0.00 57.72 57.94 1s5l n HIS 198 Cb 0.23 -0.22 -0.16 0.00 -0.12 0.00 0.00 29.99 29.72 1s5l n HIS 198 CO 0.00 0.00 0.00 1.96 0.46 0.00 0.00 176.34 178.76 1s5l h GLN 199 N 0.00 0.55 0.00 1.57 4.20 0.80 -2.16 115.11 120.07 1s5l h GLN 199 Ca 0.00 -0.94 -0.10 0.00 0.06 0.00 0.00 58.65 57.68 1s5l h GLN 199 Cb 0.65 0.35 -0.01 0.00 0.30 0.00 0.00 27.48 28.77 1s5l h GLN 199 CO 0.00 1.45 -0.45 -0.07 -0.67 0.00 0.00 178.83 179.08 1s5l h LEU 200 N 0.15 0.00 0.04 1.46 3.38 0.13 -2.06 115.31 118.40 1s5l h LEU 200 Ca -0.26 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.72 1s5l h LEU 200 Cb 2.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.91 1s5l h LEU 200 CO 0.28 0.45 -0.08 1.23 0.09 0.00 0.00 178.44 180.41 1s5l h GLY 201 N 1.47 -0.13 2.00 0.83 0.00 -1.39 1.15 103.07 107.01 1s5l h GLY 201 Ca -0.00 0.10 -0.03 0.00 0.00 0.00 0.00 47.33 47.40 1s5l h GLY 201 CO 0.06 -0.09 -0.12 -2.08 0.00 0.00 0.00 176.54 174.31 1s5l h VAL 202 N -0.16 0.65 -0.04 4.60 2.07 -1.12 -0.30 116.25 121.95 1s5l h VAL 202 Ca 0.02 -0.50 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 1s5l h VAL 202 Cb 0.19 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1s5l h VAL 202 CO -0.06 0.12 -0.07 0.00 0.02 0.00 0.00 177.57 177.57 1s5l h ALA 203 N 1.88 0.06 -0.05 1.67 0.00 -0.28 0.19 119.26 122.73 1s5l h ALA 203 Ca -0.00 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.62 1s5l h ALA 203 Cb 0.30 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1s5l h ALA 203 CO 0.02 -0.10 -0.07 0.78 0.00 0.00 0.00 179.25 179.88 1s5l h GLY 204 N -0.40 -0.02 0.61 0.00 0.00 0.22 0.84 103.07 104.32 1s5l h GLY 204 Ca 0.00 0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 1s5l h GLY 204 CO 0.02 -0.08 -0.20 -2.08 0.00 0.00 0.00 176.54 174.20 1s5l h VAL 205 N -0.09 0.41 -0.00 4.60 2.07 -1.12 0.16 116.25 122.28 1s5l h VAL 205 Ca 0.05 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 67.00 1s5l h VAL 205 Cb 0.15 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1s5l h VAL 205 CO -0.11 0.07 0.00 -0.26 0.02 0.00 0.00 177.57 177.30 1s5l h PHE 206 N -0.97 0.00 0.00 1.57 -1.00 -0.64 -1.02 116.94 114.88 1s5l h PHE 206 Ca -0.06 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.72 1s5l h PHE 206 Cb 0.56 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.12 1s5l h PHE 206 CO 0.02 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.13 1s5l n GLY 207 N -1.20 -2.07 0.30 -1.45 0.00 0.29 -2.29 105.19 98.76 1s5l n GLY 207 Ca -0.03 0.00 0.26 0.00 0.00 0.00 0.00 46.02 46.25 1s5l n GLY 207 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s5l n GLY 208 N -0.00 -0.54 0.08 -0.02 0.00 0.53 0.97 105.19 106.21 1s5l n GLY 208 Ca 0.00 0.49 -0.13 0.00 0.00 0.00 0.00 46.02 46.38 1s5l n GLY 208 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s5l h ALA 209 N 1.03 -0.10 -0.31 4.61 0.00 -1.19 0.23 119.26 123.54 1s5l h ALA 209 Ca 0.56 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.27 1s5l h ALA 209 Cb 1.81 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.62 1s5l h ALA 209 CO -0.30 -0.38 0.07 1.25 0.00 0.00 0.00 179.25 179.88 1s5l h LEU 210 N -0.44 0.40 0.15 0.00 5.85 0.10 -2.65 115.31 118.74 1s5l h LEU 210 Ca -0.01 -0.05 -0.28 0.00 0.84 0.00 0.00 57.88 58.38 1s5l h LEU 210 Cb 0.38 -0.10 0.01 0.00 0.37 0.00 0.00 40.66 41.32 1s5l h LEU 210 CO 0.02 0.42 -1.33 -0.26 -0.34 0.00 0.00 178.44 176.94 1s5l h PHE 211 N 0.44 0.60 0.00 1.25 0.04 -1.32 -1.68 116.94 116.27 1s5l h PHE 211 Ca 0.10 -0.43 0.00 0.00 2.80 0.00 0.00 57.97 60.44 1s5l h PHE 211 Cb 0.18 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.31 1s5l h PHE 211 CO 0.01 1.52 0.00 0.00 -0.60 0.00 0.00 178.31 179.23 1s5l n ALA 213 N -1.75 1.11 0.43 0.00 0.00 -1.00 -3.75 120.51 115.55 1s5l n ALA 213 Ca 0.01 -0.82 -0.17 0.00 0.00 0.00 0.00 53.44 52.45 1s5l n ALA 213 Cb 0.14 -0.37 -0.08 0.00 0.00 0.00 0.00 19.45 19.13 1s5l n ALA 213 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1s5l h MET 214 N -0.16 -1.08 0.00 0.00 -1.53 -0.29 0.18 114.93 112.05 1s5l h MET 214 Ca -0.50 0.07 0.00 0.00 -3.44 0.00 0.00 59.70 55.83 1s5l h MET 214 Cb 1.87 0.24 0.00 0.00 -0.55 0.00 0.00 31.60 33.17 1s5l h MET 214 CO -0.06 -0.72 0.00 1.58 0.14 0.00 0.00 176.91 177.86 1s5l n HIS 215 N -5.05 0.00 -0.40 1.39 -0.00 0.63 -0.76 115.22 111.02 1s5l n HIS 215 Ca -0.14 0.00 0.39 0.00 0.46 0.00 0.00 57.72 58.43 1s5l n HIS 215 Cb 0.44 -0.05 0.71 0.00 -0.12 0.00 0.00 29.99 30.98 1s5l n HIS 215 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 1s5l h GLY 216 N 0.00 0.00 0.60 1.57 0.00 -1.68 0.27 103.07 103.83 1s5l h GLY 216 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1s5l h GLY 216 CO 0.00 0.00 -0.19 0.23 0.00 0.00 0.00 176.54 176.58 1s5l h SER 217 N 0.00 -0.46 0.11 0.19 0.87 0.39 -2.77 113.55 111.88 1s5l h SER 217 Ca 0.65 -0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 61.09 1s5l h SER 217 Cb 2.86 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 64.94 1s5l h SER 217 CO -0.01 -0.06 -0.05 -0.07 -0.53 0.00 0.00 176.83 176.11 1s5l h LEU 218 N -0.95 -0.13 -1.88 2.23 3.38 0.14 -1.58 115.31 116.52 1s5l h LEU 218 Ca -0.06 -0.10 0.32 0.00 0.09 0.00 0.00 57.88 58.14 1s5l h LEU 218 Cb 0.55 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.28 1s5l h LEU 218 CO 0.09 0.02 0.79 0.58 0.09 0.00 0.00 178.44 180.01 1s5l h VAL 219 N -0.26 0.44 0.04 1.22 2.07 -0.73 0.22 116.25 119.25 1s5l h VAL 219 Ca -0.02 -0.02 -0.24 0.00 0.82 0.00 0.00 66.70 67.24 1s5l h VAL 219 Cb 0.21 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 1s5l h VAL 219 CO 0.02 0.01 -1.19 0.74 0.02 0.00 0.00 177.57 177.17 1s5l h THR 220 N 0.07 1.51 0.04 2.57 2.02 -1.09 -3.36 112.91 114.67 1s5l h THR 220 Ca 0.55 -3.20 -0.23 0.00 0.77 0.00 0.00 66.41 64.31 1s5l h THR 220 Cb 2.06 2.81 -0.01 0.00 -1.74 0.00 0.00 68.15 71.27 1s5l h THR 220 CO -0.06 0.89 -1.02 0.28 0.37 0.00 0.00 175.52 175.98 1s5l h SER 221 N 0.02 0.28 -0.81 4.18 0.02 0.34 -3.33 113.55 114.26 1s5l h SER 221 Ca -0.09 -0.26 -0.48 0.00 -0.84 0.00 0.00 61.79 60.11 1s5l h SER 221 Cb 1.87 -0.09 -0.24 0.00 0.14 0.00 0.00 62.40 64.08 1s5l h SER 221 CO 0.14 1.13 0.62 -1.20 -1.14 0.00 0.00 176.83 176.39 1s5l n SER 222 N -3.57 5.45 -4.73 3.07 7.64 -0.53 -5.01 113.62 115.95 1s5l n SER 222 Ca -0.05 -3.41 -0.29 0.00 1.01 0.00 0.00 58.87 56.13 1s5l n SER 222 Cb 0.90 -0.89 0.14 0.00 -1.01 0.00 0.00 64.21 63.35 1s5l n SER 222 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1s5l s LEU 223 N -2.88 2.10 -1.24 -3.43 1.43 -1.25 0.95 118.68 114.36 1s5l s LEU 223 Ca 0.49 1.31 -0.20 0.00 -1.03 0.00 0.00 54.13 54.70 1s5l s LEU 223 Cb 0.40 -3.68 -0.00 0.00 0.03 0.00 0.00 46.19 42.93 1s5l s LEU 223 CO 0.04 -2.65 1.83 -0.63 0.23 0.00 0.00 176.35 175.17 1s5l s ILE 224 N -3.03 3.85 0.52 -0.59 1.01 0.40 -4.47 121.20 118.89 1s5l s ILE 224 Ca 0.64 -1.44 0.32 0.00 0.00 0.00 0.00 60.65 60.17 1s5l s ILE 224 Cb -0.17 -4.91 0.47 0.00 0.01 0.00 0.00 42.46 37.87 1s5l s ILE 224 CO 0.56 -1.54 1.25 0.54 0.00 0.00 0.00 174.94 175.74 1s5l n ARG 225 N 8.35 0.01 -0.17 2.79 1.74 -1.26 -1.14 116.66 126.98 1s5l n ARG 225 Ca 0.47 0.93 0.07 0.00 -0.77 0.00 0.00 57.85 58.54 1s5l n ARG 225 Cb 0.46 -2.24 0.16 0.00 -1.02 0.00 0.00 32.46 29.82 1s5l n ARG 225 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1s5l n GLU 226 N -3.30 2.46 -3.07 5.56 1.02 -1.26 -4.82 120.64 117.24 1s5l n GLU 226 Ca 0.28 -2.00 -0.44 0.00 -0.02 0.00 0.00 57.16 54.98 1s5l n GLU 226 Cb 1.54 -1.31 -0.05 0.00 -0.02 0.00 0.00 31.44 31.60 1s5l n GLU 226 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1s5l s THR 227 N -1.02 4.73 -0.05 2.62 2.01 -0.29 -4.62 115.64 119.02 1s5l s THR 227 Ca 0.26 -0.73 0.00 0.00 0.31 0.00 0.00 61.69 61.53 1s5l s THR 227 Cb 0.14 -4.49 0.00 0.00 0.01 0.00 0.00 72.50 68.16 1s5l s THR 227 CO 0.19 -1.12 0.00 0.41 -0.69 0.00 0.00 174.62 173.41 1s5l n THR 228 N 5.65 0.00 -3.53 -0.82 -1.04 -1.26 -4.87 114.28 108.42 1s5l n THR 228 Ca -0.07 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.55 1s5l n THR 228 Cb 0.44 -0.05 -0.10 0.00 -1.82 0.00 0.00 70.33 68.80 1s5l n THR 228 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1s5l s GLU 229 N -1.66 3.95 0.00 -2.82 2.12 -1.26 -4.67 118.70 114.36 1s5l s GLU 229 Ca 0.00 -0.22 0.00 0.00 0.36 0.00 0.00 54.97 55.11 1s5l s GLU 229 Cb 0.00 -3.66 0.00 0.00 0.26 0.00 0.00 34.13 30.73 1s5l s GLU 229 CO 0.00 -0.22 0.00 2.41 -0.54 0.00 0.00 175.26 176.91 1s5l n THR 230 N 5.08 0.00 0.96 -1.70 -1.04 -1.18 -4.92 114.28 111.49 1s5l n THR 230 Ca -0.12 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.00 1s5l n THR 230 Cb 0.52 -0.13 0.09 0.00 -1.82 0.00 0.00 70.33 68.98 1s5l n THR 230 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1s5l n GLU 231 N 0.00 2.12 -0.00 -2.82 1.02 -1.26 -4.28 120.64 115.42 1s5l n GLU 231 Ca 0.00 -1.79 0.04 0.00 -0.02 0.00 0.00 57.16 55.39 1s5l n GLU 231 Cb 0.00 -1.44 -0.06 0.00 -0.02 0.00 0.00 31.44 29.92 1s5l n GLU 231 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1s5l n SER 232 N 1.17 2.38 -4.11 1.62 2.88 -1.26 -5.04 113.62 111.26 1s5l n SER 232 Ca 0.13 -0.19 -0.10 0.00 -1.33 0.00 0.00 58.87 57.38 1s5l n SER 232 Cb 0.57 1.27 -0.10 0.00 -0.75 0.00 0.00 64.21 65.19 1s5l n SER 232 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1s5l s ALA 233 N -2.33 0.70 -0.29 -1.46 0.00 -1.26 -5.13 121.76 111.99 1s5l s ALA 233 Ca -0.01 -1.14 0.01 0.00 0.00 0.00 0.00 51.96 50.81 1s5l s ALA 233 Cb 0.05 0.17 0.15 0.00 0.00 0.00 0.00 23.12 23.49 1s5l s ALA 233 CO 0.33 -0.23 0.34 -0.80 0.00 0.00 0.00 175.76 175.40 1s5l s ASN 234 N -2.62 1.22 -0.02 0.00 -0.87 -1.26 -3.07 114.94 108.33 1s5l s ASN 234 Ca 0.04 -0.67 0.07 0.00 -1.57 0.00 0.00 52.86 50.73 1s5l s ASN 234 Cb 0.02 0.71 -0.02 0.00 -0.02 0.00 0.00 41.25 41.94 1s5l s ASN 234 CO -0.05 -0.37 -0.22 -0.31 -2.57 0.00 0.00 177.10 173.58 1s5l s TYR 235 N 2.38 1.98 1.22 2.20 1.51 -1.26 -5.13 117.35 120.25 1s5l s TYR 235 Ca 0.10 -0.39 -0.20 0.00 -1.01 0.00 0.00 57.07 55.57 1s5l s TYR 235 Cb -0.13 -1.27 0.32 0.00 -0.11 0.00 0.00 41.96 40.76 1s5l s TYR 235 CO -0.31 -0.04 0.77 0.41 -1.11 0.00 0.00 175.55 175.27 1s5l n GLY 236 N 2.57 -3.74 3.96 0.71 0.00 -1.26 -4.91 105.19 102.52 1s5l n GLY 236 Ca -0.16 -1.32 -0.20 0.00 0.00 0.00 0.00 46.02 44.35 1s5l n GLY 236 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1s5l s TYR 237 N -2.06 2.19 -0.28 1.61 1.51 -1.26 -5.14 117.35 113.92 1s5l s TYR 237 Ca 0.58 -0.59 -0.22 0.00 -1.01 0.00 0.00 57.07 55.82 1s5l s TYR 237 Cb -0.09 -2.20 0.08 0.00 -0.11 0.00 0.00 41.96 39.64 1s5l s TYR 237 CO 0.48 -0.56 0.78 0.15 -1.11 0.00 0.00 175.55 175.28 1s5l s LYS 238 N -4.37 0.73 0.04 -0.62 1.02 -1.26 -5.03 119.74 110.25 1s5l s LYS 238 Ca 0.52 0.97 0.01 0.00 0.02 0.00 0.00 55.97 57.49 1s5l s LYS 238 Cb -0.06 0.30 0.10 0.00 -0.52 0.00 0.00 37.83 37.65 1s5l s LYS 238 CO 0.31 -0.10 0.18 0.34 -0.92 0.00 0.00 175.35 175.16 1s5l n PHE 239 N 3.07 0.08 0.14 3.18 7.35 -1.26 0.36 117.46 130.38 1s5l n PHE 239 Ca -0.15 0.13 0.17 0.00 -0.76 0.00 0.00 57.45 56.84 1s5l n PHE 239 Cb 0.56 -0.59 0.58 0.00 0.35 0.00 0.00 39.48 40.38 1s5l n PHE 239 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 1s5l h GLY 240 N 0.00 0.00 -6.91 7.13 0.00 -2.04 -3.36 103.07 97.89 1s5l h GLY 240 Ca 0.07 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.85 1s5l h GLY 240 CO -0.10 0.00 1.08 1.20 0.00 0.00 0.00 176.54 178.72 1s5l s GLN 241 N -4.33 3.46 0.00 4.80 -0.21 1.14 -4.95 119.66 119.57 1s5l s GLN 241 Ca -0.03 0.71 0.00 0.00 0.02 0.00 0.00 55.36 56.06 1s5l s GLN 241 Cb 0.11 -4.06 0.00 0.00 1.00 0.00 0.00 33.01 30.05 1s5l s GLN 241 CO 0.36 -1.72 0.11 -0.85 -2.12 0.00 0.00 175.29 171.07 1s5l n GLU 242 N 8.31 0.00 0.00 2.91 0.28 -1.26 -3.20 120.64 127.69 1s5l n GLU 242 Ca 0.15 0.04 0.00 0.00 -0.16 0.00 0.00 57.16 57.18 1s5l n GLU 242 Cb 0.49 -0.61 0.00 0.00 1.43 0.00 0.00 31.44 32.75 1s5l n GLU 242 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1s5l n GLU 243 N -0.15 0.00 -1.38 3.44 4.07 -1.26 -4.87 120.64 120.49 1s5l n GLU 243 Ca 0.00 0.06 0.19 0.00 -0.06 0.00 0.00 57.16 57.34 1s5l n GLU 243 Cb 0.00 -1.72 -0.05 0.00 -0.06 0.00 0.00 31.44 29.61 1s5l n GLU 243 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1s5l n GLU 244 N -0.88 -2.81 -0.21 5.31 -0.58 -1.19 -4.44 120.64 115.84 1s5l n GLU 244 Ca 0.00 1.90 -0.09 0.00 -0.42 0.00 0.00 57.16 58.54 1s5l n GLU 244 Cb 0.22 -3.42 0.02 0.00 -0.57 0.00 0.00 31.44 27.70 1s5l n GLU 244 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 1s5l h THR 245 N -1.29 1.26 -2.36 2.62 2.02 -1.90 -3.46 112.91 109.80 1s5l h THR 245 Ca 0.01 -1.10 -0.55 0.00 0.77 0.00 0.00 66.41 65.54 1s5l h THR 245 Cb 1.33 0.81 -0.14 0.00 -1.74 0.00 0.00 68.15 68.41 1s5l h THR 245 CO 0.02 0.40 -0.69 -0.72 0.37 0.00 0.00 175.52 174.89 1s5l s TYR 246 N -5.07 2.13 -0.95 3.16 -0.85 -1.26 0.15 117.35 114.67 1s5l s TYR 246 Ca -0.12 -0.57 -0.17 0.00 -0.52 0.00 0.00 57.07 55.69 1s5l s TYR 246 Cb 0.13 -1.16 0.16 0.00 0.38 0.00 0.00 41.96 41.46 1s5l s TYR 246 CO 0.85 0.45 1.10 1.21 -1.52 0.00 0.00 175.55 177.64 1s5l s ASN 247 N -3.50 6.72 0.62 -0.18 3.84 0.27 -4.85 114.94 117.86 1s5l s ASN 247 Ca 0.30 -2.31 0.30 0.00 0.21 0.00 0.00 52.86 51.36 1s5l s ASN 247 Cb 0.02 -2.36 1.60 0.00 -0.55 0.00 0.00 41.25 39.95 1s5l s ASN 247 CO 0.13 -0.92 1.96 0.40 -2.79 0.00 0.00 177.10 175.88 1s5l h ILE 248 N 5.46 0.23 -0.15 -5.21 2.04 -1.97 0.40 117.51 118.30 1s5l h ILE 248 Ca 0.17 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.89 1s5l h ILE 248 Cb 1.01 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 1s5l h ILE 248 CO 1.06 0.00 -0.49 0.58 0.00 0.00 0.00 178.15 179.29 1s5l h VAL 249 N 0.00 1.33 -0.47 1.67 2.07 -1.95 0.97 116.25 119.88 1s5l h VAL 249 Ca 0.10 -1.72 -0.13 0.00 0.82 0.00 0.00 66.70 65.77 1s5l h VAL 249 Cb 0.81 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 32.32 1s5l h VAL 249 CO -0.00 0.52 -0.20 0.00 0.02 0.00 0.00 177.57 177.91 1s5l h ALA 250 N 1.15 0.76 0.03 1.67 0.00 -0.56 0.07 119.26 122.38 1s5l h ALA 250 Ca 0.01 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 1s5l h ALA 250 Cb 0.98 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1s5l h ALA 250 CO 0.09 0.66 -0.01 0.00 0.00 0.00 0.00 179.25 179.98 1s5l h ALA 251 N 0.94 -0.04 0.00 0.00 0.00 -1.36 0.03 119.26 118.84 1s5l h ALA 251 Ca 0.11 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1s5l h ALA 251 Cb 0.76 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1s5l h ALA 251 CO 0.06 -0.20 -0.02 1.25 0.00 0.00 0.00 179.25 180.34 1s5l h HIS 252 N -0.69 0.00 0.16 0.00 6.17 -0.82 -1.13 115.15 118.85 1s5l h HIS 252 Ca -0.00 0.00 -0.31 0.00 0.71 0.00 0.00 60.37 60.76 1s5l h HIS 252 Cb 0.63 0.00 0.03 0.00 2.52 0.00 0.00 27.41 30.59 1s5l h HIS 252 CO 0.14 0.02 -1.33 0.78 0.71 0.00 0.00 177.93 178.26 1s5l h GLY 253 N 0.13 0.69 0.65 5.26 0.00 -0.88 -2.82 103.07 106.10 1s5l h GLY 253 Ca -0.00 -1.52 -0.03 0.00 0.00 0.00 0.00 47.33 45.77 1s5l h GLY 253 CO 0.00 1.34 -0.31 -1.82 0.00 0.00 0.00 176.54 175.75 1s5l h TYR 254 N 0.24 -0.81 -0.94 5.60 3.20 0.17 -1.97 116.97 122.46 1s5l h TYR 254 Ca -0.21 -0.02 0.08 0.00 3.14 0.00 0.00 58.73 61.72 1s5l h TYR 254 Cb 2.00 0.27 -0.07 0.00 1.54 0.00 0.00 36.73 40.47 1s5l h TYR 254 CO 0.12 -0.50 0.59 0.35 -1.64 0.00 0.00 178.16 177.08 1s5l h PHE 255 N -0.88 1.09 -0.38 -3.82 3.57 -1.42 -1.35 116.94 113.75 1s5l h PHE 255 Ca -0.09 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.41 1s5l h PHE 255 Cb 0.67 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 1s5l h PHE 255 CO 0.08 0.52 0.09 0.78 -2.23 0.00 0.00 178.31 177.55 1s5l h GLY 256 N 1.04 0.60 1.84 2.40 0.00 -1.46 -2.08 103.07 105.42 1s5l h GLY 256 Ca 0.43 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1s5l h GLY 256 CO -0.20 0.30 -0.08 0.54 0.00 0.00 0.00 176.54 177.10 1s5l n ARG 257 N -4.33 0.03 0.05 4.80 5.12 -0.56 -2.73 116.66 119.04 1s5l n ARG 257 Ca 0.02 0.02 -0.01 0.00 -1.93 0.00 0.00 57.85 55.95 1s5l n ARG 257 Cb 0.19 -1.53 -0.07 0.00 -1.16 0.00 0.00 32.46 29.90 1s5l n ARG 257 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 1s5l h LEU 258 N 0.00 0.00 0.00 0.55 5.85 -0.79 -3.46 115.31 117.47 1s5l h LEU 258 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1s5l h LEU 258 Cb 0.52 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.55 1s5l h LEU 258 CO 0.00 0.65 0.00 -0.38 -0.34 0.00 0.00 178.44 178.37 1s5l n ILE 259 N -3.02 0.00 -3.74 4.05 5.41 -1.17 -5.11 119.36 115.78 1s5l n ILE 259 Ca -0.07 0.00 -0.11 0.00 1.00 0.00 0.00 62.75 63.56 1s5l n ILE 259 Cb 0.85 0.00 -0.07 0.00 -0.71 0.00 0.00 39.64 39.71 1s5l n ILE 259 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 176.55 177.27 1s5l s PHE 260 N 0.89 -0.11 0.07 1.39 -0.12 -1.10 -4.99 117.98 114.00 1s5l s PHE 260 Ca 0.00 -0.07 -0.14 0.00 -0.05 0.00 0.00 56.93 56.68 1s5l s PHE 260 Cb 0.00 0.11 -0.03 0.00 -0.63 0.00 0.00 43.02 42.47 1s5l s PHE 260 CO 0.00 -0.54 0.72 0.00 -0.05 0.00 0.00 175.22 175.35 1s5l n GLN 261 N 0.41 -0.19 -0.06 1.99 10.64 -1.19 -0.23 117.38 128.74 1s5l n GLN 261 Ca -0.18 0.71 -0.07 0.00 -1.83 0.00 0.00 57.00 55.63 1s5l n GLN 261 Cb 0.60 -1.05 -0.01 0.00 -0.86 0.00 0.00 30.24 28.93 1s5l n GLN 261 CO 0.00 0.00 0.00 -0.92 -1.83 0.00 0.00 177.06 174.31 1s5l h TYR 262 N 0.00 -0.46 -0.99 2.61 3.20 -1.97 -2.21 116.97 117.15 1s5l h TYR 262 Ca 0.07 0.03 0.34 0.00 3.14 0.00 0.00 58.73 62.31 1s5l h TYR 262 Cb 0.18 0.24 -0.18 0.00 1.54 0.00 0.00 36.73 38.52 1s5l h TYR 262 CO -0.50 -0.25 0.29 0.00 -1.64 0.00 0.00 178.16 176.06 1s5l h ALA 263 N 1.00 1.66 -2.34 1.82 0.00 -0.99 -3.40 119.26 117.02 1s5l h ALA 263 Ca 0.15 0.30 -0.51 0.00 0.00 0.00 0.00 54.91 54.84 1s5l h ALA 263 Cb 0.38 0.44 0.10 0.00 0.00 0.00 0.00 17.79 18.71 1s5l h ALA 263 CO -0.37 -0.74 0.36 0.45 0.00 0.00 0.00 179.25 178.96 1s5l s SER 264 N -4.79 5.30 -0.18 0.00 0.15 -0.83 -4.98 113.70 108.36 1s5l s SER 264 Ca -0.11 1.65 -0.09 0.00 0.70 0.00 0.00 55.95 58.10 1s5l s SER 264 Cb 0.31 -2.50 -0.05 0.00 -1.71 0.00 0.00 66.02 62.08 1s5l s SER 264 CO 0.78 -1.50 0.10 -0.36 1.20 0.00 0.00 173.24 173.46 1s5l s PHE 265 N -3.01 3.37 -0.02 3.44 0.40 -1.26 -5.01 117.98 115.90 1s5l s PHE 265 Ca 0.59 0.26 -0.21 0.00 -0.60 0.00 0.00 56.93 56.97 1s5l s PHE 265 Cb -0.14 -2.10 -0.13 0.00 0.51 0.00 0.00 43.02 41.16 1s5l s PHE 265 CO 0.54 0.30 0.90 -2.95 0.70 0.00 0.00 175.22 174.71 1s5l h ASN 266 N 6.46 -0.47 -1.67 1.36 7.08 -1.93 -3.44 115.58 122.97 1s5l h ASN 266 Ca -0.41 -0.09 -0.54 0.00 -3.08 0.00 0.00 56.30 52.18 1s5l h ASN 266 Cb 1.16 0.12 -0.06 0.00 -2.08 0.00 0.00 38.32 37.46 1s5l h ASN 266 CO 0.72 -0.04 -0.47 0.54 -2.08 0.00 0.00 177.43 176.10 1s5l s ASN 267 N -4.95 4.72 0.51 6.14 2.20 -1.26 -5.01 114.94 117.29 1s5l s ASN 267 Ca -0.11 -0.87 0.30 0.00 -0.94 0.00 0.00 52.86 51.24 1s5l s ASN 267 Cb 0.01 -0.60 1.06 0.00 -2.00 0.00 0.00 41.25 39.72 1s5l s ASN 267 CO 0.38 -0.50 1.87 -1.28 -2.94 0.00 0.00 177.10 174.64 1s5l h SER 268 N 1.34 0.00 0.15 3.54 0.87 -2.00 -3.18 113.55 114.27 1s5l h SER 268 Ca -0.43 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.13 1s5l h SER 268 Cb 1.26 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 1s5l h SER 268 CO 0.64 0.03 -0.07 -0.09 -0.53 0.00 0.00 176.83 176.80 1s5l h ARG 269 N 0.00 -0.19 -0.07 2.24 1.12 -1.99 -2.08 114.38 113.41 1s5l h ARG 269 Ca -0.00 0.01 0.02 0.00 -1.11 0.00 0.00 59.98 58.90 1s5l h ARG 269 Cb 0.66 0.04 -0.00 0.00 -0.01 0.00 0.00 29.97 30.66 1s5l h ARG 269 CO 0.00 0.25 0.10 0.77 -3.11 0.00 0.00 179.97 177.98 1s5l h SER 270 N -0.74 0.00 0.28 -3.80 0.02 -1.98 0.17 113.55 107.49 1s5l h SER 270 Ca -0.02 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 1s5l h SER 270 Cb 0.52 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.07 1s5l h SER 270 CO 0.03 0.00 -0.14 -0.07 -1.14 0.00 0.00 176.83 175.52 1s5l h LEU 271 N 0.00 -0.32 -1.23 5.07 3.38 -1.51 -2.90 115.31 117.80 1s5l h LEU 271 Ca 0.04 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 1s5l h LEU 271 Cb 0.23 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1s5l h LEU 271 CO -0.00 0.12 -0.25 0.45 0.09 0.00 0.00 178.44 178.85 1s5l h HIS 272 N -1.08 0.00 -0.22 1.13 3.86 -1.16 -2.42 115.15 115.25 1s5l h HIS 272 Ca -0.04 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.05 1s5l h HIS 272 Cb 0.29 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.75 1s5l h HIS 272 CO 0.00 0.25 -0.38 0.35 0.86 0.00 0.00 177.93 179.01 1s5l h PHE 273 N 0.00 0.58 -0.18 2.45 3.57 -0.78 -2.63 116.94 119.95 1s5l h PHE 273 Ca -0.00 -0.16 -0.03 0.00 3.53 0.00 0.00 57.97 61.31 1s5l h PHE 273 Cb 0.70 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 1s5l h PHE 273 CO 0.00 0.80 0.01 0.35 -2.23 0.00 0.00 178.31 177.25 1s5l h PHE 274 N 0.41 0.34 -0.70 0.41 3.57 -1.24 -0.88 116.94 118.85 1s5l h PHE 274 Ca 0.04 -0.05 0.15 0.00 3.53 0.00 0.00 57.97 61.64 1s5l h PHE 274 Cb 0.85 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 39.46 1s5l h PHE 274 CO 0.03 0.50 0.48 -0.07 -2.23 0.00 0.00 178.31 177.01 1s5l h LEU 275 N 0.08 0.28 -0.06 0.59 3.38 -1.15 0.39 115.31 118.82 1s5l h LEU 275 Ca 0.05 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1s5l h LEU 275 Cb 0.35 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1s5l h LEU 275 CO 0.01 0.15 -0.70 0.00 0.09 0.00 0.00 178.44 177.98 1s5l n ALA 276 N -2.56 4.04 -0.05 1.53 0.00 -1.02 -4.28 120.51 118.17 1s5l n ALA 276 Ca 0.13 -0.47 -0.21 0.00 0.00 0.00 0.00 53.44 52.90 1s5l n ALA 276 Cb 0.56 -0.96 -0.13 0.00 0.00 0.00 0.00 19.45 18.92 1s5l n ALA 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s5l h ALA 277 N 3.06 0.24 0.83 0.00 0.00 0.50 -3.32 119.26 120.56 1s5l h ALA 277 Ca 0.00 -1.13 -0.04 0.00 0.00 0.00 0.00 54.91 53.74 1s5l h ALA 277 Cb 0.51 0.59 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1s5l h ALA 277 CO 0.00 0.75 -0.45 2.35 0.00 0.00 0.00 179.25 181.90 1s5l h TRP 278 N -0.65 -1.18 0.60 0.00 -0.00 -1.52 -1.99 115.95 111.21 1s5l h TRP 278 Ca -0.31 -0.02 -0.02 0.00 -0.00 0.00 0.00 58.89 58.54 1s5l h TRP 278 Cb 1.51 0.41 -0.01 0.00 -0.00 0.00 0.00 29.16 31.06 1s5l h TRP 278 CO 0.12 -0.69 -0.44 -1.35 -0.00 0.00 0.00 178.44 176.07 1s5l h PRO 279 N -1.17 -0.97 -0.55 2.65 0.11 -1.76 -2.46 132.00 127.84 1s5l h PRO 279 Ca -0.11 0.07 0.11 0.00 0.11 0.00 0.00 66.00 66.17 1s5l h PRO 279 Cb 0.92 0.22 -0.09 0.00 0.11 0.00 0.00 31.00 32.16 1s5l h PRO 279 CO 0.15 -0.65 0.05 0.28 -0.21 0.00 0.00 178.00 177.63 1s5l h VAL 280 N -1.01 0.61 0.00 3.15 2.07 -1.66 0.83 116.25 120.24 1s5l h VAL 280 Ca -0.07 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1s5l h VAL 280 Cb 0.84 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1s5l h VAL 280 CO 0.03 0.03 0.00 0.52 0.02 0.00 0.00 177.57 178.17 1s5l n VAL 281 N -5.20 0.07 -0.07 2.57 0.31 -0.75 -0.46 118.33 114.81 1s5l n VAL 281 Ca 0.07 0.02 -0.20 0.00 -0.01 0.00 0.00 64.34 64.22 1s5l n VAL 281 Cb 0.30 -0.59 -0.12 0.00 -0.91 0.00 0.00 33.84 32.51 1s5l n VAL 281 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1s5l h GLY 282 N 4.26 0.08 2.00 2.92 0.00 -0.37 -3.32 103.07 108.65 1s5l h GLY 282 Ca 0.00 -0.21 -0.10 0.00 0.00 0.00 0.00 47.33 47.03 1s5l h GLY 282 CO 0.00 0.18 -0.47 -2.08 0.00 0.00 0.00 176.54 174.17 1s5l h VAL 283 N -0.78 0.96 -0.36 4.60 2.07 -1.23 -2.39 116.25 119.13 1s5l h VAL 283 Ca -0.29 -1.88 0.05 0.00 0.82 0.00 0.00 66.70 65.40 1s5l h VAL 283 Cb 1.40 2.14 -0.08 0.00 -1.52 0.00 0.00 31.29 33.23 1s5l h VAL 283 CO -0.10 0.46 -0.54 -0.50 0.02 0.00 0.00 177.57 176.91 1s5l h TRP 284 N 0.00 -1.63 -0.27 1.57 -0.00 -0.90 0.04 115.95 114.76 1s5l h TRP 284 Ca -0.00 0.08 0.02 0.00 -0.00 0.00 0.00 58.89 58.98 1s5l h TRP 284 Cb 1.11 0.76 -0.02 0.00 -0.00 0.00 0.00 29.16 31.00 1s5l h TRP 284 CO 0.00 -0.50 0.11 0.74 -0.00 0.00 0.00 178.44 178.80 1s5l h PHE 285 N -0.43 0.21 0.04 0.49 0.05 -1.59 -2.54 116.94 113.17 1s5l h PHE 285 Ca 0.07 0.01 0.01 0.00 3.82 0.00 0.00 57.97 61.89 1s5l h PHE 285 Cb 0.61 -0.05 -0.02 0.00 2.00 0.00 0.00 35.95 38.49 1s5l h PHE 285 CO -0.69 0.11 -0.11 1.15 -0.18 0.00 0.00 178.31 178.59 1s5l h THR 286 N 0.25 0.74 -0.36 -1.55 2.02 -1.05 1.09 112.91 114.04 1s5l h THR 286 Ca 0.11 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.40 1s5l h THR 286 Cb 0.06 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 1s5l h THR 286 CO -0.10 0.00 0.37 0.00 0.37 0.00 0.00 175.52 176.17 1s5l h ALA 287 N 0.72 2.07 0.00 6.16 0.00 -0.91 0.72 119.26 128.03 1s5l h ALA 287 Ca 0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1s5l h ALA 287 Cb 0.24 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1s5l h ALA 287 CO -0.08 -0.56 -0.00 -0.07 0.00 0.00 0.00 179.25 178.54 1s5l h LEU 288 N 0.00 -0.00 -0.73 0.00 3.38 -0.27 -3.09 115.31 114.60 1s5l h LEU 288 Ca 0.17 -0.91 0.08 0.00 0.09 0.00 0.00 57.88 57.31 1s5l h LEU 288 Cb 0.92 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.57 1s5l h LEU 288 CO -0.00 0.93 -0.38 0.61 0.09 0.00 0.00 178.44 179.69 1s5l n GLY 289 N 1.49 -1.77 0.17 0.83 0.00 0.35 0.11 105.19 106.37 1s5l n GLY 289 Ca -0.09 0.85 -0.13 0.00 0.00 0.00 0.00 46.02 46.65 1s5l n GLY 289 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1s5l h ILE 290 N 0.00 0.72 -0.13 -0.61 2.04 -1.31 -1.54 117.51 116.68 1s5l h ILE 290 Ca 0.16 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.06 1s5l h ILE 290 Cb 0.35 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 1s5l h ILE 290 CO -0.70 0.00 0.18 -1.28 0.00 0.00 0.00 178.15 176.35 1s5l h SER 291 N -0.30 0.00 0.94 1.72 0.87 0.83 0.56 113.55 118.17 1s5l h SER 291 Ca -0.01 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.35 1s5l h SER 291 Cb 0.27 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.20 1s5l h SER 291 CO -0.01 0.00 -1.11 0.74 -0.53 0.00 0.00 176.83 175.92 1s5l h THR 292 N 0.00 1.24 -0.29 2.23 2.02 0.75 -3.15 112.91 115.71 1s5l h THR 292 Ca 0.06 -2.90 0.00 0.00 0.77 0.00 0.00 66.41 64.35 1s5l h THR 292 Cb 0.42 2.59 0.00 0.00 -1.74 0.00 0.00 68.15 69.42 1s5l h THR 292 CO -0.00 0.71 0.00 0.23 0.37 0.00 0.00 175.52 176.83 1s5l n MET 293 N -3.21 2.07 0.17 6.66 2.81 -0.00 -2.78 117.12 122.83 1s5l n MET 293 Ca -0.04 -1.62 0.08 0.00 -1.81 0.00 0.00 57.70 54.30 1s5l n MET 293 Cb 0.92 -1.43 0.08 0.00 -0.71 0.00 0.00 33.22 32.08 1s5l n MET 293 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1s5l h ALA 294 N 4.19 0.80 -0.09 3.04 0.00 -0.98 -3.22 119.26 123.00 1s5l h ALA 294 Ca 0.00 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 1s5l h ALA 294 Cb 0.69 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 1s5l h ALA 294 CO 0.00 0.28 -0.49 1.19 0.00 0.00 0.00 179.25 180.23 1s5l n PHE 295 N -3.08 0.33 -3.21 0.00 3.01 -1.22 -3.78 117.46 109.50 1s5l n PHE 295 Ca 0.02 -1.57 -0.10 0.00 1.01 0.00 0.00 57.45 56.80 1s5l n PHE 295 Cb 0.62 -0.28 0.04 0.00 -0.01 0.00 0.00 39.48 39.86 1s5l n PHE 295 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1s5l n ASN 296 N -1.09 -7.00 -3.18 4.37 5.03 -1.22 -4.96 115.26 107.22 1s5l n ASN 296 Ca 0.22 -0.49 -0.23 0.00 0.87 0.00 0.00 54.58 54.96 1s5l n ASN 296 Cb 0.74 -5.09 -0.05 0.00 -1.02 0.00 0.00 39.78 34.36 1s5l n ASN 296 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 1s5l n LEU 297 N -2.71 1.71 -4.66 3.41 7.94 -1.12 -5.01 117.00 116.57 1s5l n LEU 297 Ca -0.05 -5.10 -0.31 0.00 -1.11 0.00 0.00 56.01 49.45 1s5l n LEU 297 Cb 0.57 0.26 0.17 0.00 0.53 0.00 0.00 43.42 44.96 1s5l n LEU 297 CO 0.57 2.20 0.66 0.20 -1.11 0.00 0.00 177.39 179.91 1s5l s ASN 298 N -2.23 2.80 1.38 1.96 0.01 -1.26 -4.43 114.94 113.16 1s5l s ASN 298 Ca 0.40 2.07 -0.21 0.00 -0.71 0.00 0.00 52.86 54.41 1s5l s ASN 298 Cb 0.25 -2.53 0.35 0.00 0.41 0.00 0.00 41.25 39.73 1s5l s ASN 298 CO -0.09 -3.16 0.84 0.61 -1.51 0.00 0.00 177.10 173.79 1s5l n GLY 299 N 0.15 -3.39 3.16 0.66 0.00 -1.04 -4.98 105.19 99.75 1s5l n GLY 299 Ca 0.10 -1.51 -0.26 0.00 0.00 0.00 0.00 46.02 44.36 1s5l n GLY 299 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1s5l n PHE 300 N -5.54 -2.19 -2.79 1.61 0.99 0.55 -4.96 117.46 105.13 1s5l n PHE 300 Ca 0.10 -0.09 0.03 0.00 -0.00 0.00 0.00 57.45 57.49 1s5l n PHE 300 Cb 0.57 -1.45 0.01 0.00 -1.00 0.00 0.00 39.48 37.60 1s5l n PHE 300 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 1s5l s ASN 301 N -2.11 -0.16 -1.13 4.37 6.03 -1.26 -4.87 114.94 115.81 1s5l s ASN 301 Ca 0.50 -0.06 -0.09 0.00 -1.03 0.00 0.00 52.86 52.17 1s5l s ASN 301 Cb -0.10 0.37 0.27 0.00 -3.03 0.00 0.00 41.25 38.76 1s5l s ASN 301 CO 0.50 -0.02 1.16 0.49 -2.03 0.00 0.00 177.10 177.20 1s5l n PHE 302 N 3.86 5.16 0.17 1.54 3.01 -1.26 -4.84 117.46 125.10 1s5l n PHE 302 Ca 0.06 -3.83 0.05 0.00 1.01 0.00 0.00 57.45 54.74 1s5l n PHE 302 Cb 0.63 -1.73 0.15 0.00 -0.01 0.00 0.00 39.48 38.53 1s5l n PHE 302 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 1s5l h ASN 303 N 6.62 0.00 -3.59 4.37 2.35 -1.97 -3.42 115.58 119.94 1s5l h ASN 303 Ca 0.19 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.69 1s5l h ASN 303 Cb 0.86 0.00 -0.31 0.00 0.05 0.00 0.00 38.32 38.92 1s5l h ASN 303 CO 1.05 0.39 -0.67 -1.00 -1.65 0.00 0.00 177.43 175.54 1s5l s HIS 304 N -3.17 -0.05 -0.06 1.19 3.76 -1.26 -4.84 115.29 110.86 1s5l s HIS 304 Ca 0.03 0.21 0.01 0.00 -0.15 0.00 0.00 55.06 55.16 1s5l s HIS 304 Cb 0.08 -0.10 0.02 0.00 1.11 0.00 0.00 32.58 33.69 1s5l s HIS 304 CO 0.71 -0.08 -0.06 -1.12 -0.85 0.00 0.00 174.74 173.34 1s5l s SER 305 N 0.68 1.35 0.50 1.40 0.01 -1.26 -5.09 113.70 111.28 1s5l s SER 305 Ca -0.05 -0.18 0.02 0.00 1.31 0.00 0.00 55.95 57.05 1s5l s SER 305 Cb -0.08 -0.58 -0.02 0.00 0.21 0.00 0.00 66.02 65.56 1s5l s SER 305 CO -0.02 -0.06 0.06 0.54 0.41 0.00 0.00 173.24 174.17 1s5l s VAL 306 N 1.06 1.35 -0.61 3.43 0.11 -1.26 -2.06 120.40 122.42 1s5l s VAL 306 Ca -0.08 -1.93 0.06 0.00 -2.93 0.00 0.00 61.98 57.09 1s5l s VAL 306 Cb -0.14 -2.28 0.21 0.00 -1.53 0.00 0.00 36.38 32.64 1s5l s VAL 306 CO -0.01 0.00 0.58 -0.38 -3.33 0.00 0.00 175.10 171.97 1s5l n ILE 307 N -1.29 1.30 0.23 7.04 5.41 -1.10 -4.91 119.36 126.04 1s5l n ILE 307 Ca -0.15 -4.74 0.00 0.00 1.00 0.00 0.00 62.75 58.86 1s5l n ILE 307 Cb 0.67 -2.06 0.00 0.00 -0.71 0.00 0.00 39.64 37.53 1s5l n ILE 307 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1s5l n ASP 308 N 1.55 0.00 -0.22 4.38 9.92 -1.26 -0.47 116.55 130.45 1s5l n ASP 308 Ca 0.25 0.34 -0.06 0.00 -0.53 0.00 0.00 54.79 54.80 1s5l n ASP 308 Cb 0.41 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 40.84 1s5l n ASP 308 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1s5l n ALA 309 N -1.21 -0.33 0.02 2.24 0.00 -1.26 -3.18 120.51 116.79 1s5l n ALA 309 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1s5l n ALA 309 Cb 0.72 0.12 -0.00 0.00 0.00 0.00 0.00 19.45 20.29 1s5l n ALA 309 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1s5l n LYS 310 N -4.18 4.30 -0.11 0.00 4.81 -0.22 -4.97 118.16 117.79 1s5l n LYS 310 Ca 0.01 -0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 1s5l n LYS 310 Cb 0.14 -0.71 0.00 0.00 0.02 0.00 0.00 35.03 34.48 1s5l n LYS 310 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1s5l n GLY 311 N 1.55 0.76 3.67 3.14 0.00 0.38 -5.02 105.19 109.67 1s5l n GLY 311 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.47 1s5l n GLY 311 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1s5l n ASN 312 N 0.00 2.22 -4.72 1.61 3.02 -1.24 -4.58 115.26 111.57 1s5l n ASN 312 Ca 0.00 1.08 -0.42 0.00 -0.03 0.00 0.00 54.58 55.22 1s5l n ASN 312 Cb 0.00 -1.18 -0.04 0.00 -0.61 0.00 0.00 39.78 37.96 1s5l n ASN 312 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1s5l s VAL 313 N 2.46 4.53 -0.19 2.41 1.01 -1.26 -2.72 120.40 126.64 1s5l s VAL 313 Ca 0.93 1.94 -0.06 0.00 0.00 0.00 0.00 61.98 64.78 1s5l s VAL 313 Cb -1.00 -4.24 -0.03 0.00 0.00 0.00 0.00 36.38 31.11 1s5l s VAL 313 CO 0.58 0.22 0.03 -0.63 0.00 0.00 0.00 175.10 175.29 1s5l s ILE 314 N 0.56 4.34 -0.17 2.22 1.01 -0.87 -5.01 121.20 123.27 1s5l s ILE 314 Ca 0.51 -0.19 -0.27 0.00 0.00 0.00 0.00 60.65 60.70 1s5l s ILE 314 Cb -0.24 -2.96 -0.01 0.00 0.01 0.00 0.00 42.46 39.27 1s5l s ILE 314 CO 0.29 0.44 0.92 0.20 0.00 0.00 0.00 174.94 176.80 1s5l s ASN 315 N 0.67 7.05 0.05 3.58 -0.87 -1.26 -4.10 114.94 120.05 1s5l s ASN 315 Ca 0.01 1.29 -0.11 0.00 -1.57 0.00 0.00 52.86 52.49 1s5l s ASN 315 Cb -0.14 -2.50 -0.06 0.00 -0.02 0.00 0.00 41.25 38.54 1s5l s ASN 315 CO 0.02 -0.48 0.39 0.42 -2.57 0.00 0.00 177.10 174.88 1s5l s THR 316 N 2.40 5.10 0.18 1.60 -4.23 -1.26 -4.92 115.64 114.51 1s5l s THR 316 Ca 0.42 0.55 0.11 0.00 -1.18 0.00 0.00 61.69 61.59 1s5l s THR 316 Cb -0.17 -3.65 0.18 0.00 1.34 0.00 0.00 72.50 70.20 1s5l s THR 316 CO 0.12 0.39 0.71 0.79 -0.54 0.00 0.00 174.62 176.09 1s5l n TRP 317 N 1.23 0.45 0.30 3.99 5.03 -1.26 0.27 117.44 127.46 1s5l n TRP 317 Ca -0.10 0.46 0.19 0.00 3.03 0.00 0.00 57.50 61.07 1s5l n TRP 317 Cb 0.52 -0.88 0.88 0.00 -1.03 0.00 0.00 31.31 30.81 1s5l n TRP 317 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 1s5l h ALA 318 N 0.84 1.00 0.03 6.99 0.00 -1.92 -2.48 119.26 123.72 1s5l h ALA 318 Ca 0.39 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 55.07 1s5l h ALA 318 Cb 1.11 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1s5l h ALA 318 CO -0.30 0.00 -1.00 -0.44 0.00 0.00 0.00 179.25 177.51 1s5l h ASP 319 N 0.00 0.40 0.41 0.00 3.32 0.36 -1.91 116.42 119.00 1s5l h ASP 319 Ca 0.00 -0.35 0.00 0.00 0.02 0.00 0.00 57.03 56.70 1s5l h ASP 319 Cb 0.26 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1s5l h ASP 319 CO 0.00 1.18 0.00 -0.38 -1.72 0.00 0.00 179.24 178.32 1s5l n ILE 320 N -3.65 0.54 0.04 0.35 5.41 -0.94 -0.32 119.36 120.79 1s5l n ILE 320 Ca -0.06 0.13 -0.16 0.00 1.00 0.00 0.00 62.75 63.66 1s5l n ILE 320 Cb 0.88 -0.83 -0.14 0.00 -0.71 0.00 0.00 39.64 38.84 1s5l n ILE 320 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1s5l h ILE 321 N 0.00 1.00 0.00 1.39 2.04 -1.37 -3.26 117.51 117.31 1s5l h ILE 321 Ca 0.00 -2.70 0.00 0.00 1.00 0.00 0.00 64.86 63.16 1s5l h ILE 321 Cb 0.21 2.65 0.00 0.00 -0.74 0.00 0.00 36.82 38.94 1s5l h ILE 321 CO 0.00 0.78 0.00 -1.13 0.00 0.00 0.00 178.15 177.80 1s5l h ASN 322 N 0.06 0.00 0.47 1.72 -0.73 -0.00 -1.14 115.58 115.95 1s5l h ASN 322 Ca -0.28 0.00 -0.16 0.00 1.87 0.00 0.00 56.30 57.72 1s5l h ASN 322 Cb 2.01 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 40.59 1s5l h ASN 322 CO 0.13 0.00 -0.71 -0.09 -0.37 0.00 0.00 177.43 176.39 1s5l h ARG 323 N 0.00 0.20 0.02 6.67 9.65 -0.71 -1.21 114.38 128.99 1s5l h ARG 323 Ca 0.00 -0.17 -0.11 0.00 -1.10 0.00 0.00 59.98 58.60 1s5l h ARG 323 Cb 0.69 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.29 1s5l h ARG 323 CO 0.00 0.83 -0.59 0.00 2.80 0.00 0.00 179.97 183.01 1s5l h ALA 324 N 1.13 0.10 -0.54 2.80 0.00 -1.56 -3.06 119.26 118.12 1s5l h ALA 324 Ca -0.02 -0.80 0.16 0.00 0.00 0.00 0.00 54.91 54.25 1s5l h ALA 324 Cb 1.26 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 19.32 1s5l h ALA 324 CO 0.11 0.33 0.60 -0.91 0.00 0.00 0.00 179.25 179.37 1s5l h ASN 325 N -0.91 0.00 0.28 0.00 -0.26 -1.22 -1.64 115.58 111.83 1s5l h ASN 325 Ca -0.15 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.58 1s5l h ASN 325 Cb 1.20 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.46 1s5l h ASN 325 CO -0.06 0.00 -0.14 0.25 -1.06 0.00 0.00 177.43 176.43 1s5l h LEU 326 N 0.00 -0.32 -0.99 1.61 5.85 -1.26 -2.77 115.31 117.43 1s5l h LEU 326 Ca 0.26 0.01 0.28 0.00 0.84 0.00 0.00 57.88 59.27 1s5l h LEU 326 Cb 1.46 0.08 -0.14 0.00 0.37 0.00 0.00 40.66 42.43 1s5l h LEU 326 CO -0.00 0.13 0.55 1.23 -0.34 0.00 0.00 178.44 180.00 1s5l h GLY 327 N -1.10 1.94 1.23 3.75 0.00 -1.20 -0.33 103.07 107.36 1s5l h GLY 327 Ca -0.04 -0.25 -0.21 0.00 0.00 0.00 0.00 47.33 46.83 1s5l h GLY 327 CO 0.06 -0.39 -0.72 -0.33 0.00 0.00 0.00 176.54 175.16 1s5l h MET 328 N 0.41 0.77 -0.05 4.80 2.86 -1.57 -3.15 114.93 119.01 1s5l h MET 328 Ca 0.68 -0.59 0.04 0.00 -2.06 0.00 0.00 59.70 57.77 1s5l h MET 328 Cb 1.45 0.11 -0.05 0.00 0.06 0.00 0.00 31.60 33.17 1s5l h MET 328 CO -0.56 1.21 -0.28 1.49 1.06 0.00 0.00 176.91 179.83 1s5l h GLU 329 N 0.54 -0.38 -0.97 1.72 4.81 -0.77 -1.44 114.58 118.09 1s5l h GLU 329 Ca -0.04 0.03 0.31 0.00 -0.13 0.00 0.00 59.36 59.53 1s5l h GLU 329 Cb 1.34 0.09 -0.15 0.00 0.63 0.00 0.00 28.75 30.65 1s5l h GLU 329 CO 0.15 -0.25 0.46 0.28 -0.73 0.00 0.00 179.01 178.92 1s5l h VAL 330 N -0.39 0.27 -0.43 0.32 2.07 -1.42 -2.49 116.25 114.18 1s5l h VAL 330 Ca 0.08 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1s5l h VAL 330 Cb 0.51 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1s5l h VAL 330 CO -0.28 0.05 0.00 0.23 0.02 0.00 0.00 177.57 177.59 1s5l n MET 331 N -5.13 2.85 -2.70 1.57 2.81 -0.76 -4.87 117.12 110.89 1s5l n MET 331 Ca 0.29 -2.20 -0.42 0.00 -1.81 0.00 0.00 57.70 53.57 1s5l n MET 331 Cb 0.93 -1.34 -0.03 0.00 -0.71 0.00 0.00 33.22 32.06 1s5l n MET 331 CO 0.00 0.00 0.00 -3.38 1.51 0.00 0.00 175.97 174.10 1s5l s HIS 332 N -1.03 3.68 -1.24 2.03 -3.43 -0.62 -3.19 115.29 111.49 1s5l s HIS 332 Ca 0.29 1.70 -0.00 0.00 -0.80 0.00 0.00 55.06 56.25 1s5l s HIS 332 Cb 0.15 -3.12 -0.00 0.00 -1.43 0.00 0.00 32.58 28.18 1s5l s HIS 332 CO 0.19 -0.02 0.88 0.39 -2.00 0.00 0.00 174.74 174.18 1s5l n GLU 333 N 3.65 -5.80 -0.93 -0.38 1.02 -1.26 -4.89 120.64 112.05 1s5l n GLU 333 Ca 0.05 0.76 -0.35 0.00 -0.02 0.00 0.00 57.16 57.60 1s5l n GLU 333 Cb 0.50 -5.58 0.07 0.00 -0.02 0.00 0.00 31.44 26.41 1s5l n GLU 333 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1s5l n ARG 334 N -4.16 -0.11 -3.36 3.49 1.85 -1.19 -2.82 116.66 110.35 1s5l n ARG 334 Ca -0.29 -0.02 -0.26 0.00 -1.00 0.00 0.00 57.85 56.29 1s5l n ARG 334 Cb 0.67 -1.28 -0.05 0.00 -1.05 0.00 0.00 32.46 30.75 1s5l n ARG 334 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 1s5l n ASN 335 N 1.91 -1.04 0.00 2.89 2.04 -1.26 -4.69 115.26 115.10 1s5l n ASN 335 Ca 0.01 -0.76 0.00 0.00 -0.44 0.00 0.00 54.58 53.39 1s5l n ASN 335 Cb 0.56 -0.97 0.00 0.00 -2.53 0.00 0.00 39.78 36.84 1s5l n ASN 335 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1s5l n ALA 336 N -2.67 1.52 -2.97 -2.53 0.00 -1.13 -5.01 120.51 107.72 1s5l n ALA 336 Ca 0.06 -0.44 -0.34 0.00 0.00 0.00 0.00 53.44 52.72 1s5l n ALA 336 Cb 0.28 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.61 1s5l n ALA 336 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1s5l s HIS 337 N -0.17 3.06 -0.05 0.00 3.76 -1.26 -4.99 115.29 115.63 1s5l s HIS 337 Ca 0.00 -0.28 0.10 0.00 -0.15 0.00 0.00 55.06 54.73 1s5l s HIS 337 Cb 0.00 -2.01 -0.15 0.00 1.11 0.00 0.00 32.58 31.53 1s5l s HIS 337 CO 0.00 -0.06 0.16 0.09 -0.85 0.00 0.00 174.74 174.08 1s5l n ASN 338 N 3.70 2.47 -4.76 1.40 3.02 -1.26 -5.02 115.26 114.82 1s5l n ASN 338 Ca -0.17 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.13 1s5l n ASN 338 Cb 0.52 1.20 -0.06 0.00 -0.61 0.00 0.00 39.78 40.84 1s5l n ASN 338 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1s5l s PHE 339 N -2.56 3.02 0.21 3.10 2.99 -1.26 -5.07 117.98 118.42 1s5l s PHE 339 Ca -0.04 -0.09 -0.09 0.00 0.00 0.00 0.00 56.93 56.71 1s5l s PHE 339 Cb 0.05 -1.42 0.27 0.00 0.00 0.00 0.00 43.02 41.93 1s5l s PHE 339 CO 0.44 0.53 1.77 -1.00 -0.00 0.00 0.00 175.22 176.96 1s5l h PRO 340 N 2.22 0.52 -5.32 0.24 0.13 -2.06 -3.42 132.00 124.31 1s5l h PRO 340 Ca -0.47 -0.03 -0.67 0.00 -0.87 0.00 0.00 66.00 63.96 1s5l h PRO 340 Cb 1.21 -0.12 -0.29 0.00 0.13 0.00 0.00 31.00 31.93 1s5l h PRO 340 CO 0.61 0.34 -0.81 -0.51 -0.23 0.00 0.00 178.00 177.40 1s5l s LEU 341 N -10.33 2.46 0.38 1.56 1.43 -1.26 -5.10 118.68 107.82 1s5l s LEU 341 Ca -0.13 -0.43 -0.26 0.00 -1.03 0.00 0.00 54.13 52.28 1s5l s LEU 341 Cb 0.17 -1.53 -0.09 0.00 0.03 0.00 0.00 46.19 44.77 1s5l s LEU 341 CO 0.75 0.16 1.20 -0.62 0.23 0.00 0.00 176.35 178.07 1s5l s ASP 342 N 0.38 6.61 -0.11 2.29 -1.08 -1.26 -4.95 116.67 118.54 1s5l s ASP 342 Ca -0.14 2.43 0.15 0.00 -0.52 0.00 0.00 52.55 54.47 1s5l s ASP 342 Cb -0.17 -2.62 0.32 0.00 -1.46 0.00 0.00 42.92 38.99 1s5l s ASP 342 CO 0.07 -0.62 1.16 0.18 0.52 0.00 0.00 175.17 176.47 1s5l n LEU 343 N 0.31 1.85 0.00 -1.34 4.77 -1.26 -5.24 117.00 116.09 1s5l n LEU 343 Ca 0.03 -2.85 0.00 0.00 -0.03 0.00 0.00 56.01 53.16 1s5l n LEU 343 Cb 0.45 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1s5l n LEU 343 CO 0.53 0.86 0.00 0.00 -1.33 0.00 0.00 177.39 177.45