#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jty h LEU 3 N 0.00 0.87 0.04 -4.53 -0.00 -2.03 -0.49 115.31 109.17 1jty h LEU 3 Ca 0.00 0.01 -0.26 0.00 -0.00 0.00 0.00 57.88 57.63 1jty h LEU 3 Cb 0.00 -0.18 -0.03 0.00 -0.00 0.00 0.00 40.66 40.46 1jty h LEU 3 CO 0.00 0.55 -1.32 0.50 -0.00 0.00 0.00 178.44 178.17 1jty h LYS 4 N 0.98 0.09 0.00 0.17 3.64 -2.01 -3.27 116.57 116.17 1jty h LYS 4 Ca 0.38 -0.15 -0.12 0.00 -1.27 0.00 0.00 60.65 59.49 1jty h LYS 4 Cb 0.23 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 1jty h LYS 4 CO -0.15 0.93 -0.57 -0.44 -2.27 0.00 0.00 179.45 176.95 1jty h ASP 5 N 0.02 0.00 0.47 4.20 3.32 -1.88 -2.37 116.42 120.19 1jty h ASP 5 Ca -0.15 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.88 1jty h ASP 5 Cb 1.91 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.46 1jty h ASP 5 CO 0.13 0.57 -0.23 0.50 -1.72 0.00 0.00 179.24 178.50 1jty h LYS 6 N 0.00 -0.61 -0.07 3.56 1.63 -1.21 -2.85 116.57 117.02 1jty h LYS 6 Ca -0.01 0.04 0.01 0.00 -0.85 0.00 0.00 60.65 59.84 1jty h LYS 6 Cb 1.05 0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 32.80 1jty h LYS 6 CO 0.07 -0.31 -0.09 0.82 -3.45 0.00 0.00 179.45 176.50 1jty h ILE 7 N -0.92 0.00 -1.09 2.00 2.04 -1.59 0.42 117.51 118.36 1jty h ILE 7 Ca -0.06 0.00 0.38 0.00 1.00 0.00 0.00 64.86 66.18 1jty h ILE 7 Cb 0.59 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.55 1jty h ILE 7 CO 0.11 0.00 0.69 0.18 0.00 0.00 0.00 178.15 179.13 1jty n LEU 8 N -3.14 0.18 -0.04 1.44 4.77 -0.90 0.11 117.00 119.42 1jty n LEU 8 Ca -0.01 1.15 -0.15 0.00 -0.03 0.00 0.00 56.01 56.98 1jty n LEU 8 Cb 0.05 -0.57 -0.08 0.00 -2.33 0.00 0.00 43.42 40.50 1jty n LEU 8 CO -0.00 -1.26 0.47 1.23 -1.33 0.00 0.00 177.39 176.50 1jty h GLY 9 N 0.00 0.48 0.66 -0.72 0.00 0.01 -1.38 103.07 102.12 1jty h GLY 9 Ca 0.72 -0.61 -0.03 0.00 0.00 0.00 0.00 47.33 47.41 1jty h GLY 9 CO -0.41 0.54 -0.32 -2.08 0.00 0.00 0.00 176.54 174.28 1jty h VAL 10 N 0.02 0.00 -0.65 4.60 2.07 0.22 -2.83 116.25 119.68 1jty h VAL 10 Ca -0.01 -0.12 0.12 0.00 0.82 0.00 0.00 66.70 67.52 1jty h VAL 10 Cb 0.95 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.59 1jty h VAL 10 CO 0.07 0.00 -0.27 0.00 0.02 0.00 0.00 177.57 177.40 1jty h ALA 11 N -1.47 0.19 -0.48 1.67 0.00 -1.28 0.38 119.26 118.27 1jty h ALA 11 Ca -0.09 0.22 0.14 0.00 0.00 0.00 0.00 54.91 55.18 1jty h ALA 11 Cb 0.68 0.68 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 1jty h ALA 11 CO 0.15 -0.56 0.37 -0.22 0.00 0.00 0.00 179.25 178.99 1jty h LYS 12 N -0.09 0.00 0.20 0.00 3.64 -1.25 0.27 116.57 119.35 1jty h LYS 12 Ca 0.28 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.34 1jty h LYS 12 Cb 0.54 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.38 1jty h LYS 12 CO -0.71 0.00 -1.51 1.49 -2.27 0.00 0.00 179.45 176.45 1jty h GLU 13 N 0.00 0.42 -0.00 1.90 4.57 -0.05 -2.35 114.58 119.06 1jty h GLU 13 Ca 0.23 -0.72 -0.00 0.00 -1.18 0.00 0.00 59.36 57.69 1jty h GLU 13 Cb 0.96 0.27 -0.00 0.00 -0.16 0.00 0.00 28.75 29.82 1jty h GLU 13 CO -0.00 1.33 -0.00 -0.07 -1.18 0.00 0.00 179.01 179.09 1jty h LEU 14 N 0.12 0.01 -2.02 1.64 3.38 0.04 -2.41 115.31 116.07 1jty h LEU 14 Ca -0.25 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.38 1jty h LEU 14 Cb 2.10 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.85 1jty h LEU 14 CO 0.23 0.35 0.00 -0.26 0.09 0.00 0.00 178.44 178.85 1jty h PHE 15 N -0.33 0.00 0.00 1.13 0.05 -0.64 -1.04 116.94 116.11 1jty h PHE 15 Ca 0.00 0.00 -0.10 0.00 3.82 0.00 0.00 57.97 61.70 1jty h PHE 15 Cb 0.34 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.28 1jty h PHE 15 CO 0.04 0.00 -0.45 0.82 -0.18 0.00 0.00 178.31 178.54 1jty h ILE 16 N 0.00 1.17 -0.27 -0.55 1.08 -0.95 -3.21 117.51 114.78 1jty h ILE 16 Ca 0.00 -1.64 -0.23 0.00 -0.39 0.00 0.00 64.86 62.60 1jty h ILE 16 Cb 0.00 1.92 -0.36 0.00 -3.07 0.00 0.00 36.82 35.31 1jty h ILE 16 CO -0.00 0.44 -1.00 0.29 -0.69 0.00 0.00 178.15 177.19 1jty n LYS 17 N -3.78 1.30 0.00 2.37 5.02 -0.70 -4.77 118.16 117.60 1jty n LYS 17 Ca -0.01 -3.02 0.00 0.00 -2.02 0.00 0.00 58.31 53.26 1jty n LYS 17 Cb 0.51 -1.10 0.00 0.00 -0.02 0.00 0.00 35.03 34.42 1jty n LYS 17 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1jty n ASN 18 N -0.26 0.00 0.00 4.39 3.02 -0.48 -5.02 115.26 116.91 1jty n ASN 18 Ca 0.12 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.67 1jty n ASN 18 Cb 0.94 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.11 1jty n ASN 18 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jty n GLY 19 N 0.10 0.75 0.06 7.41 0.00 -1.21 -4.43 105.19 107.87 1jty n GLY 19 Ca 0.00 -2.09 -0.05 0.00 0.00 0.00 0.00 46.02 43.87 1jty n GLY 19 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1jty h TYR 20 N 0.00 0.00 0.00 1.61 3.20 -1.80 -3.31 116.97 116.67 1jty h TYR 20 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1jty h TYR 20 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 1jty h TYR 20 CO 0.00 0.28 0.00 0.09 -1.64 0.00 0.00 178.16 176.89 1jty n ASN 21 N -4.68 0.00 -0.03 -2.11 5.03 -1.26 -1.93 115.26 110.28 1jty n ASN 21 Ca -0.06 -0.13 0.06 0.00 0.87 0.00 0.00 54.58 55.32 1jty n ASN 21 Cb 0.20 -0.11 -0.16 0.00 -1.02 0.00 0.00 39.78 38.69 1jty n ASN 21 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1jty n ALA 22 N -1.11 2.52 -2.57 5.41 0.00 -1.26 -4.85 120.51 118.65 1jty n ALA 22 Ca 0.06 -0.66 -0.43 0.00 0.00 0.00 0.00 53.44 52.41 1jty n ALA 22 Cb 0.05 -0.61 -0.04 0.00 0.00 0.00 0.00 19.45 18.85 1jty n ALA 22 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1jty s THR 23 N -3.26 4.44 0.25 0.00 2.01 -0.81 -5.01 115.64 113.26 1jty s THR 23 Ca -0.08 0.86 -0.20 0.00 0.31 0.00 0.00 61.69 62.58 1jty s THR 23 Cb 0.12 -4.45 -0.09 0.00 0.01 0.00 0.00 72.50 68.09 1jty s THR 23 CO 0.86 -0.83 0.75 0.42 -0.69 0.00 0.00 174.62 175.13 1jty s THR 24 N 3.84 4.54 0.34 -0.82 -4.23 -1.26 -4.94 115.64 113.10 1jty s THR 24 Ca 0.39 1.32 0.05 0.00 -1.18 0.00 0.00 61.69 62.27 1jty s THR 24 Cb -0.10 -3.85 0.30 0.00 1.34 0.00 0.00 72.50 70.19 1jty s THR 24 CO 0.26 0.16 1.91 0.71 -0.54 0.00 0.00 174.62 177.12 1jty h THR 25 N 2.65 0.97 -0.25 3.99 1.35 -1.97 -1.36 112.91 118.28 1jty h THR 25 Ca -0.48 -0.28 -0.05 0.00 -0.55 0.00 0.00 66.41 65.05 1jty h THR 25 Cb 1.19 0.07 -0.01 0.00 -1.73 0.00 0.00 68.15 67.67 1jty h THR 25 CO 0.65 0.15 -0.07 1.23 -0.25 0.00 0.00 175.52 177.23 1jty h GLY 26 N 0.82 0.43 1.93 5.82 0.00 -1.98 -0.65 103.07 109.44 1jty h GLY 26 Ca 0.39 -0.26 -0.20 0.00 0.00 0.00 0.00 47.33 47.26 1jty h GLY 26 CO -0.16 0.24 -0.94 -2.09 0.00 0.00 0.00 176.54 173.60 1jty h GLU 27 N 0.38 0.06 -0.57 4.80 4.81 -1.66 -2.84 114.58 119.56 1jty h GLU 27 Ca 0.08 -0.08 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 1jty h GLU 27 Cb 0.37 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 1jty h GLU 27 CO 0.02 0.95 0.02 0.82 -0.73 0.00 0.00 179.01 180.09 1jty h ILE 28 N 0.03 1.26 0.00 2.32 2.04 -0.95 -2.69 117.51 119.52 1jty h ILE 28 Ca -0.03 -1.10 0.00 0.00 1.00 0.00 0.00 64.86 64.73 1jty h ILE 28 Cb 1.64 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 38.56 1jty h ILE 28 CO 0.13 0.40 0.00 0.52 0.00 0.00 0.00 178.15 179.20 1jty n VAL 29 N -4.25 0.00 0.23 1.67 0.31 -0.29 -2.20 118.33 113.79 1jty n VAL 29 Ca 0.02 1.15 0.13 0.00 -0.01 0.00 0.00 64.34 65.64 1jty n VAL 29 Cb 0.32 -2.12 0.67 0.00 -0.91 0.00 0.00 33.84 31.81 1jty n VAL 29 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 1jty h LYS 30 N 0.00 0.00 0.06 5.55 2.10 -1.64 0.19 116.57 122.82 1jty h LYS 30 Ca 0.00 0.00 -0.26 0.00 -2.00 0.00 0.00 60.65 58.39 1jty h LYS 30 Cb 0.00 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.34 1jty h LYS 30 CO 0.00 0.00 -1.09 1.25 -2.00 0.00 0.00 179.45 177.61 1jty h LEU 31 N 0.00 0.66 -0.33 7.07 5.85 -1.54 -2.27 115.31 124.76 1jty h LEU 31 Ca 0.00 -0.58 0.00 0.00 0.84 0.00 0.00 57.88 58.14 1jty h LEU 31 Cb 0.07 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 40.90 1jty h LEU 31 CO 0.00 1.40 0.00 -1.54 -0.34 0.00 0.00 178.44 177.96 1jty n SER 32 N -3.74 0.50 -3.32 1.25 3.41 0.35 -4.91 113.62 107.17 1jty n SER 32 Ca -0.10 -1.20 -0.16 0.00 -0.26 0.00 0.00 58.87 57.16 1jty n SER 32 Cb 0.92 -0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.94 1jty n SER 32 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1jty n GLU 33 N -0.59 -4.31 0.00 4.33 4.07 0.37 -4.95 120.64 119.57 1jty n GLU 33 Ca 0.22 0.85 0.00 0.00 -0.06 0.00 0.00 57.16 58.17 1jty n GLU 33 Cb 0.19 -5.82 0.00 0.00 -0.06 0.00 0.00 31.44 25.75 1jty n GLU 33 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1jty n SER 34 N -3.16 0.15 -4.52 4.31 2.88 -0.39 -4.94 113.62 107.95 1jty n SER 34 Ca -0.17 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.11 1jty n SER 34 Cb 0.64 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 64.01 1jty n SER 34 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1jty s SER 35 N 1.00 3.93 -0.02 -3.46 0.15 -1.26 -4.11 113.70 109.93 1jty s SER 35 Ca 0.00 -0.79 -0.25 0.00 0.70 0.00 0.00 55.95 55.61 1jty s SER 35 Cb 0.00 -0.52 -0.19 0.00 -1.71 0.00 0.00 66.02 63.60 1jty s SER 35 CO 0.00 0.07 1.21 0.50 1.20 0.00 0.00 173.24 176.22 1jty h LYS 36 N 2.57 -0.08 0.00 5.44 3.64 -1.95 -2.89 116.57 123.30 1jty h LYS 36 Ca -0.44 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 58.92 1jty h LYS 36 Cb 1.23 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1jty h LYS 36 CO 0.56 0.37 -0.10 0.78 -2.27 0.00 0.00 179.45 178.79 1jty h GLY 37 N -0.57 0.00 0.65 5.01 0.00 -2.01 -2.87 103.07 103.28 1jty h GLY 37 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.28 1jty h GLY 37 CO 0.01 0.00 -0.12 -0.57 0.00 0.00 0.00 176.54 175.87 1jty h ASN 38 N 0.00 0.26 -0.83 0.19 -1.24 -1.96 -3.08 115.58 108.91 1jty h ASN 38 Ca -0.00 -0.52 0.19 0.00 0.71 0.00 0.00 56.30 56.69 1jty h ASN 38 Cb 0.35 -0.07 -0.12 0.00 0.73 0.00 0.00 38.32 39.21 1jty h ASN 38 CO 0.01 0.72 0.31 0.25 -1.29 0.00 0.00 177.43 177.44 1jty h LEU 39 N -0.20 0.21 -1.79 0.34 5.85 -1.29 0.46 115.31 118.90 1jty h LEU 39 Ca 0.01 0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 1jty h LEU 39 Cb 0.66 0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.84 1jty h LEU 39 CO 0.03 -0.00 -0.15 1.88 -0.34 0.00 0.00 178.44 179.85 1jty h TYR 40 N 0.36 0.00 -0.37 1.25 0.05 -1.55 0.19 116.97 116.90 1jty h TYR 40 Ca 0.50 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 59.21 1jty h TYR 40 Cb 0.90 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.62 1jty h TYR 40 CO -0.19 0.15 -0.04 -0.92 -1.05 0.00 0.00 178.16 176.12 1jty h TYR 41 N 0.00 0.64 0.00 4.88 3.20 0.01 -3.03 116.97 122.66 1jty h TYR 41 Ca -0.00 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.79 1jty h TYR 41 Cb 0.33 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.42 1jty h TYR 41 CO 0.00 0.64 -1.67 0.72 -1.64 0.00 0.00 178.16 176.21 1jty n HIS 42 N -4.23 0.05 -3.69 -3.82 8.25 -0.87 -4.88 115.22 106.02 1jty n HIS 42 Ca 0.02 0.01 -0.14 0.00 -0.26 0.00 0.00 57.72 57.35 1jty n HIS 42 Cb 0.29 -0.39 -0.14 0.00 1.12 0.00 0.00 29.99 30.87 1jty n HIS 42 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1jty s PHE 43 N -3.37 -0.33 0.00 4.41 0.40 0.63 -5.06 117.98 114.65 1jty s PHE 43 Ca -0.03 0.82 0.00 0.00 -0.60 0.00 0.00 56.93 57.12 1jty s PHE 43 Cb 0.14 -0.04 0.00 0.00 0.51 0.00 0.00 43.02 43.63 1jty s PHE 43 CO 0.89 -0.29 0.84 1.63 0.70 0.00 0.00 175.22 178.99 1jty n LYS 44 N 4.87 0.00 -4.62 0.44 5.02 -1.24 -3.42 118.16 119.21 1jty n LYS 44 Ca -0.14 0.78 -0.29 0.00 -2.02 0.00 0.00 58.31 56.64 1jty n LYS 44 Cb 0.51 -1.34 -0.08 0.00 -0.02 0.00 0.00 35.03 34.10 1jty n LYS 44 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1jty s THR 45 N -2.35 0.96 0.23 -0.18 -1.32 -1.26 -4.57 115.64 107.16 1jty s THR 45 Ca 0.00 -2.00 -0.06 0.00 -1.21 0.00 0.00 61.69 58.42 1jty s THR 45 Cb 0.00 -2.34 0.18 0.00 -1.51 0.00 0.00 72.50 68.84 1jty s THR 45 CO 0.00 0.00 1.82 0.50 -2.21 0.00 0.00 174.62 174.73 1jty h LYS 46 N 1.62 1.18 0.00 7.08 3.64 -1.98 -1.01 116.57 127.09 1jty h LYS 46 Ca -0.40 -0.18 -0.07 0.00 -1.27 0.00 0.00 60.65 58.73 1jty h LYS 46 Cb 1.29 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 1jty h LYS 46 CO 0.67 0.91 -0.35 1.05 -2.27 0.00 0.00 179.45 179.46 1jty h GLU 47 N 1.16 0.00 0.18 1.90 -0.00 -1.99 -1.98 114.58 113.86 1jty h GLU 47 Ca 0.28 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.63 1jty h GLU 47 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.89 1jty h GLU 47 CO -0.03 0.35 -0.09 -0.97 -0.00 0.00 0.00 179.01 178.27 1jty h ASN 48 N 0.00 -0.20 -0.60 3.06 -0.00 -1.70 -1.26 115.58 114.88 1jty h ASN 48 Ca -0.00 -0.29 0.10 0.00 -0.00 0.00 0.00 56.30 56.10 1jty h ASN 48 Cb 0.76 0.05 -0.11 0.00 -0.00 0.00 0.00 38.32 39.02 1jty h ASN 48 CO 0.05 0.22 -0.39 0.25 -0.00 0.00 0.00 177.43 177.55 1jty h LEU 49 N -0.67 -1.36 -1.27 0.34 5.85 -1.04 0.76 115.31 117.91 1jty h LEU 49 Ca -0.02 0.24 0.12 0.00 0.84 0.00 0.00 57.88 59.06 1jty h LEU 49 Cb 0.48 0.64 -0.07 0.00 0.37 0.00 0.00 40.66 42.09 1jty h LEU 49 CO 0.04 -0.32 0.56 0.15 -0.34 0.00 0.00 178.44 178.53 1jty h PHE 50 N -0.19 0.85 -0.54 1.25 3.04 -1.33 -0.14 116.94 119.88 1jty h PHE 50 Ca 0.21 0.02 -0.06 0.00 3.98 0.00 0.00 57.97 62.12 1jty h PHE 50 Cb 0.56 -0.27 -0.02 0.00 2.56 0.00 0.00 35.95 38.78 1jty h PHE 50 CO -0.69 0.35 0.08 -0.07 -2.02 0.00 0.00 178.31 175.97 1jty h LEU 51 N 0.75 0.86 -0.11 0.59 3.38 0.17 0.57 115.31 121.52 1jty h LEU 51 Ca 0.42 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1jty h LEU 51 Cb 0.57 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1jty h LEU 51 CO -0.18 0.90 0.04 -0.33 0.09 0.00 0.00 178.44 178.96 1jty h GLU 52 N 0.78 0.16 0.56 1.13 5.08 0.61 -0.37 114.58 122.54 1jty h GLU 52 Ca 0.16 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 1jty h GLU 52 Cb 0.41 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1jty h GLU 52 CO 0.01 0.30 -0.48 0.82 -1.00 0.00 0.00 179.01 178.66 1jty h ILE 53 N -0.00 0.05 -0.21 3.13 2.04 -0.89 0.16 117.51 121.78 1jty h ILE 53 Ca 0.04 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.96 1jty h ILE 53 Cb 0.20 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.32 1jty h ILE 53 CO -0.00 0.00 0.44 0.25 0.00 0.00 0.00 178.15 178.84 1jty h LEU 54 N -1.02 0.00 0.00 1.44 5.85 0.19 0.28 115.31 122.06 1jty h LEU 54 Ca -0.07 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 1jty h LEU 54 Cb 0.87 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.90 1jty h LEU 54 CO -0.02 0.00 -0.11 -1.13 -0.34 0.00 0.00 178.44 176.84 1jty h ASN 55 N 0.00 0.00 -1.01 1.25 -0.73 0.29 -3.21 115.58 112.17 1jty h ASN 55 Ca 0.10 -0.28 0.13 0.00 1.87 0.00 0.00 56.30 58.12 1jty h ASN 55 Cb 0.97 0.00 -0.09 0.00 0.27 0.00 0.00 38.32 39.48 1jty h ASN 55 CO -0.00 0.70 0.63 0.40 -0.37 0.00 0.00 177.43 178.79 1jty h ILE 56 N -1.00 0.90 0.31 2.57 2.04 0.38 -0.83 117.51 121.88 1jty h ILE 56 Ca -0.02 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 1jty h ILE 56 Cb 0.37 -0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.27 1jty h ILE 56 CO -0.01 0.18 -0.33 -0.33 0.00 0.00 0.00 178.15 177.66 1jty h GLU 57 N 0.98 -0.62 -0.74 2.37 4.39 -1.13 -0.48 114.58 119.35 1jty h GLU 57 Ca 0.50 0.04 0.16 0.00 0.34 0.00 0.00 59.36 60.41 1jty h GLU 57 Cb 0.53 0.14 -0.13 0.00 -0.10 0.00 0.00 28.75 29.19 1jty h GLU 57 CO -0.27 -0.41 -0.03 0.93 -1.16 0.00 0.00 179.01 178.06 1jty h GLU 58 N -0.64 0.08 0.13 2.33 4.39 -1.38 -1.37 114.58 118.12 1jty h GLU 58 Ca -0.04 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1jty h GLU 58 Cb 0.56 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.18 1jty h GLU 58 CO -0.05 0.05 -0.25 1.03 -1.16 0.00 0.00 179.01 178.63 1jty h SER 59 N 0.08 -0.72 -0.95 1.42 0.87 -0.78 -1.21 113.55 112.26 1jty h SER 59 Ca 0.39 0.07 0.26 0.00 -1.23 0.00 0.00 61.79 61.28 1jty h SER 59 Cb 0.67 0.25 -0.14 0.00 -0.44 0.00 0.00 62.40 62.75 1jty h SER 59 CO -0.67 -0.29 0.46 0.11 -0.53 0.00 0.00 176.83 175.91 1jty h LYS 60 N -0.41 0.36 -0.39 2.24 1.57 -0.33 0.59 116.57 120.20 1jty h LYS 60 Ca -0.01 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.66 1jty h LYS 60 Cb 0.38 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 1jty h LYS 60 CO -0.09 0.24 -0.12 2.35 -0.57 0.00 0.00 179.45 181.25 1jty h TRP 61 N 0.37 0.77 -0.51 -1.35 -0.00 -1.07 -1.10 115.95 113.07 1jty h TRP 61 Ca 0.63 -0.14 -0.08 0.00 -0.00 0.00 0.00 58.89 59.30 1jty h TRP 61 Cb 1.31 -0.20 -0.02 0.00 -0.00 0.00 0.00 29.16 30.25 1jty h TRP 61 CO -0.09 0.79 -0.02 0.37 -0.00 0.00 0.00 178.44 179.48 1jty h GLN 62 N 0.64 0.88 -0.02 2.65 4.15 0.14 -1.54 115.11 121.99 1jty h GLN 62 Ca 0.11 -0.26 -0.10 0.00 0.77 0.00 0.00 58.65 59.17 1jty h GLN 62 Cb 0.57 -0.09 0.01 0.00 0.21 0.00 0.00 27.48 28.18 1jty h GLN 62 CO 0.04 0.89 -0.39 1.49 -1.93 0.00 0.00 178.83 178.92 1jty h GLU 63 N 0.81 0.31 -0.51 1.69 4.81 -1.08 -2.34 114.58 118.27 1jty h GLU 63 Ca 0.15 -0.30 0.08 0.00 -0.13 0.00 0.00 59.36 59.16 1jty h GLU 63 Cb 0.51 0.08 -0.07 0.00 0.63 0.00 0.00 28.75 29.90 1jty h GLU 63 CO 0.03 0.98 0.14 0.37 -0.73 0.00 0.00 179.01 179.80 1jty h GLN 64 N -0.25 0.28 0.00 1.92 4.15 -1.13 0.23 115.11 120.31 1jty h GLN 64 Ca -0.04 -0.02 -0.09 0.00 0.77 0.00 0.00 58.65 59.27 1jty h GLN 64 Cb 1.10 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.72 1jty h GLN 64 CO 0.08 0.19 -0.41 2.35 -1.93 0.00 0.00 178.83 179.10 1jty h TRP 65 N 0.29 0.00 0.00 3.99 -0.00 -1.36 0.46 115.95 119.33 1jty h TRP 65 Ca 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.14 1jty h TRP 65 Cb 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.48 1jty h TRP 65 CO -0.20 0.41 0.00 1.17 -0.00 0.00 0.00 178.44 179.82 1jty n LYS 66 N -3.74 0.00 -0.32 2.65 3.00 -0.02 -2.34 118.16 117.40 1jty n LYS 66 Ca -0.01 0.30 0.11 0.00 -0.00 0.00 0.00 58.31 58.71 1jty n LYS 66 Cb 0.49 -1.24 0.33 0.00 0.00 0.00 0.00 35.03 34.61 1jty n LYS 66 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.40 178.97 1jty h LYS 67 N 0.00 0.76 -0.98 1.64 2.10 -1.36 -1.39 116.57 117.34 1jty h LYS 67 Ca 0.00 -0.05 -0.00 0.00 -2.00 0.00 0.00 60.65 58.60 1jty h LYS 67 Cb 0.00 -0.17 -0.00 0.00 -0.90 0.00 0.00 32.23 31.16 1jty h LYS 67 CO 0.00 0.50 0.00 0.39 -2.00 0.00 0.00 179.45 178.34 1jty n GLU 68 N -4.62 1.18 -0.00 0.07 1.02 0.15 -3.15 120.64 115.29 1jty n GLU 68 Ca 0.19 -0.16 0.05 0.00 -0.02 0.00 0.00 57.16 57.23 1jty n GLU 68 Cb 0.48 -1.47 -0.07 0.00 -0.02 0.00 0.00 31.44 30.36 1jty n GLU 68 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jty n GLN 69 N 0.09 2.60 -0.13 3.49 10.64 -0.52 -4.57 117.38 128.97 1jty n GLN 69 Ca 0.02 -0.03 -0.10 0.00 -1.83 0.00 0.00 57.00 55.06 1jty n GLN 69 Cb 0.33 -1.07 -0.07 0.00 -0.86 0.00 0.00 30.24 28.57 1jty n GLN 69 CO 0.00 0.00 0.00 0.82 -1.83 0.00 0.00 177.06 176.05 1jty h ILE 70 N 0.00 0.00 0.00 -0.39 2.04 -1.70 -2.13 117.51 115.33 1jty h ILE 70 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1jty h ILE 70 Cb 0.32 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.40 1jty h ILE 70 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 178.15 178.44 1jty n LYS 71 N -4.66 0.00 -3.64 2.37 5.02 -1.26 -4.39 118.16 111.59 1jty n LYS 71 Ca -0.02 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.05 1jty n LYS 71 Cb 0.24 -1.08 -0.17 0.00 -0.02 0.00 0.00 35.03 34.00 1jty n LYS 71 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jty s ALA 72 N -0.64 0.25 0.00 7.82 0.00 -0.80 -5.05 121.76 123.33 1jty s ALA 72 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.01 1jty s ALA 72 Cb 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 23.12 22.32 1jty s ALA 72 CO 0.00 -0.75 0.21 0.36 0.00 0.00 0.00 175.76 175.58 1jty n LYS 73 N 5.30 0.00 -2.03 0.00 2.85 -1.26 -4.70 118.16 118.32 1jty n LYS 73 Ca -0.05 0.39 -0.41 0.00 -1.05 0.00 0.00 58.31 57.19 1jty n LYS 73 Cb 0.50 -1.00 -0.02 0.00 -0.65 0.00 0.00 35.03 33.85 1jty n LYS 73 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 1jty s THR 74 N -1.19 2.62 0.55 0.58 -4.23 -1.26 -4.86 115.64 107.85 1jty s THR 74 Ca 0.00 0.57 0.39 0.00 -1.18 0.00 0.00 61.69 61.47 1jty s THR 74 Cb 0.00 -3.36 0.41 0.00 1.34 0.00 0.00 72.50 70.89 1jty s THR 74 CO 0.00 0.11 2.27 0.78 -0.54 0.00 0.00 174.62 177.25 1jty h ASN 75 N 4.13 0.00 -0.84 3.99 4.21 -1.94 0.37 115.58 125.50 1jty h ASN 75 Ca -0.48 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.00 1jty h ASN 75 Cb 1.22 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 38.39 1jty h ASN 75 CO 0.71 0.01 0.40 -0.09 -1.29 0.00 0.00 177.43 177.17 1jty h ARG 76 N 0.00 1.21 0.25 0.81 1.12 -1.95 -1.81 114.38 114.01 1jty h ARG 76 Ca -0.00 -0.18 -0.01 0.00 -1.11 0.00 0.00 59.98 58.68 1jty h ARG 76 Cb 0.11 -0.22 0.00 0.00 -0.01 0.00 0.00 29.97 29.85 1jty h ARG 76 CO 0.00 0.93 -0.12 0.93 -3.11 0.00 0.00 179.97 178.60 1jty h GLU 77 N 1.20 -0.33 -1.40 0.20 5.08 -0.65 -2.81 114.58 115.88 1jty h GLU 77 Ca 0.29 0.02 0.41 0.00 -1.00 0.00 0.00 59.36 59.08 1jty h GLU 77 Cb 0.13 0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.37 1jty h GLU 77 CO -0.04 0.02 0.97 0.87 -1.00 0.00 0.00 179.01 179.84 1jty h LYS 78 N -0.75 0.07 0.49 2.33 1.79 -1.08 0.15 116.57 119.57 1jty h LYS 78 Ca -0.03 -0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.41 1jty h LYS 78 Cb 0.50 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.14 1jty h LYS 78 CO 0.06 0.05 -0.24 0.35 -1.08 0.00 0.00 179.45 178.59 1jty h PHE 79 N 0.07 -0.61 -1.02 -1.35 3.57 -1.18 0.77 116.94 117.18 1jty h PHE 79 Ca 0.72 -0.01 0.25 0.00 3.53 0.00 0.00 57.97 62.45 1jty h PHE 79 Cb 2.61 0.20 -0.11 0.00 2.79 0.00 0.00 35.95 41.45 1jty h PHE 79 CO -0.00 -0.36 0.63 1.88 -2.23 0.00 0.00 178.31 178.23 1jty h TYR 80 N -1.16 0.85 0.04 0.41 0.05 -0.57 -2.24 116.97 114.36 1jty h TYR 80 Ca -0.07 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.74 1jty h TYR 80 Cb 0.53 -0.25 0.00 0.00 1.01 0.00 0.00 36.73 38.02 1jty h TYR 80 CO 0.00 0.08 -0.02 1.25 -1.05 0.00 0.00 178.16 178.42 1jty h LEU 81 N 0.51 -0.05 -0.44 3.88 5.85 -0.89 -2.92 115.31 121.26 1jty h LEU 81 Ca 0.61 -0.61 0.09 0.00 0.84 0.00 0.00 57.88 58.81 1jty h LEU 81 Cb 1.32 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 42.29 1jty h LEU 81 CO -0.38 0.64 -0.07 0.22 -0.34 0.00 0.00 178.44 178.51 1jty h TYR 82 N -0.80 -0.17 -0.44 1.25 3.20 -0.47 0.68 116.97 120.22 1jty h TYR 82 Ca -0.01 0.04 0.07 0.00 3.14 0.00 0.00 58.73 61.97 1jty h TYR 82 Cb 0.66 0.14 -0.02 0.00 1.54 0.00 0.00 36.73 39.05 1jty h TYR 82 CO 0.16 -0.16 0.30 -0.91 -1.64 0.00 0.00 178.16 175.91 1jty h ASN 83 N 0.03 0.25 0.12 -2.11 -0.26 -1.52 -2.24 115.58 109.84 1jty h ASN 83 Ca 0.21 0.00 -0.29 0.00 -0.56 0.00 0.00 56.30 55.67 1jty h ASN 83 Cb 0.32 -0.05 0.03 0.00 -1.06 0.00 0.00 38.32 37.56 1jty h ASN 83 CO -0.42 0.16 -1.20 -0.33 -1.06 0.00 0.00 177.43 174.58 1jty h GLU 84 N 0.29 0.61 -0.22 0.81 5.08 -0.76 -3.28 114.58 117.10 1jty h GLU 84 Ca 0.20 -0.81 -0.06 0.00 -1.00 0.00 0.00 59.36 57.69 1jty h GLU 84 Cb 0.42 0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1jty h GLU 84 CO -0.04 1.37 -0.13 -0.07 -1.00 0.00 0.00 179.01 179.13 1jty h LEU 85 N 0.23 0.35 -1.19 1.33 3.38 -0.59 -2.62 115.31 116.20 1jty h LEU 85 Ca -0.18 -0.08 0.15 0.00 0.09 0.00 0.00 57.88 57.85 1jty h LEU 85 Cb 1.88 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 42.46 1jty h LEU 85 CO 0.23 0.52 0.60 0.28 0.09 0.00 0.00 178.44 180.15 1jty h SER 86 N 0.34 0.73 0.05 -0.43 0.02 -1.47 0.57 113.55 113.37 1jty h SER 86 Ca 0.07 0.05 -0.10 0.00 -0.84 0.00 0.00 61.79 60.97 1jty h SER 86 Cb 0.44 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 1jty h SER 86 CO 0.03 0.36 -0.30 -0.07 -1.14 0.00 0.00 176.83 175.70 1jty h LEU 87 N 0.77 0.38 -2.44 5.07 3.38 -1.57 -3.29 115.31 117.60 1jty h LEU 87 Ca 0.48 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.32 1jty h LEU 87 Cb 0.71 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1jty h LEU 87 CO -0.24 0.67 0.00 0.35 0.09 0.00 0.00 178.44 179.31 1jty n THR 88 N -4.10 0.72 -1.37 0.22 -2.24 -0.57 -5.03 114.28 101.90 1jty n THR 88 Ca -0.01 -0.86 -0.30 0.00 -2.27 0.00 0.00 64.05 60.61 1jty n THR 88 Cb 0.42 0.66 0.11 0.00 -2.10 0.00 0.00 70.33 69.42 1jty n THR 88 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1jty s THR 89 N -0.77 2.86 -1.77 4.28 -1.32 0.19 -4.97 115.64 114.14 1jty s THR 89 Ca 0.04 0.28 0.15 0.00 -1.21 0.00 0.00 61.69 60.96 1jty s THR 89 Cb 0.02 -2.89 0.09 0.00 -1.51 0.00 0.00 72.50 68.21 1jty s THR 89 CO 0.03 -0.37 0.94 -1.84 -2.21 0.00 0.00 174.62 171.18 1jty n GLU 90 N -3.66 1.34 -4.24 7.08 0.28 -1.26 -4.89 120.64 115.29 1jty n GLU 90 Ca 0.07 -1.23 -0.30 0.00 -0.16 0.00 0.00 57.16 55.53 1jty n GLU 90 Cb 0.56 -1.28 -0.09 0.00 1.43 0.00 0.00 31.44 32.05 1jty n GLU 90 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 1jty s TYR 91 N -1.44 2.86 0.00 -1.84 1.51 -1.26 -4.82 117.35 112.35 1jty s TYR 91 Ca 0.16 -0.09 0.00 0.00 -1.01 0.00 0.00 57.07 56.14 1jty s TYR 91 Cb 0.13 -1.50 0.00 0.00 -0.11 0.00 0.00 41.96 40.47 1jty s TYR 91 CO 0.25 0.44 0.00 0.98 -1.11 0.00 0.00 175.55 176.10 1jty n TYR 92 N 0.82 0.00 -0.50 2.71 4.19 -1.26 -4.36 117.16 118.76 1jty n TYR 92 Ca -0.13 0.00 0.40 0.00 3.31 0.00 0.00 57.90 61.48 1jty n TYR 92 Cb 0.52 0.00 0.63 0.00 0.49 0.00 0.00 39.34 40.99 1jty n TYR 92 CO 0.00 0.00 0.00 0.66 0.91 0.00 0.00 176.86 178.43 1jty n TYR 93 N 0.00 0.31 0.17 2.98 4.01 -1.26 0.01 117.16 123.38 1jty n TYR 93 Ca 0.00 0.31 0.04 0.00 -0.16 0.00 0.00 57.90 58.09 1jty n TYR 93 Cb 0.00 -0.73 0.26 0.00 -0.31 0.00 0.00 39.34 38.56 1jty n TYR 93 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1jty h PRO 94 N 0.00 0.00 -0.00 -0.72 0.11 -1.88 -3.06 132.00 126.45 1jty h PRO 94 Ca 0.77 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.88 1jty h PRO 94 Cb 2.79 0.00 0.00 0.00 0.11 0.00 0.00 31.00 33.90 1jty h PRO 94 CO -0.21 0.44 -0.01 1.28 -0.21 0.00 0.00 178.00 179.29 1jty n LEU 95 N -3.52 0.23 -0.35 2.35 4.77 0.10 -4.32 117.00 116.26 1jty n LEU 95 Ca -0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.95 1jty n LEU 95 Cb 0.57 -0.08 0.02 0.00 -2.33 0.00 0.00 43.42 41.60 1jty n LEU 95 CO 0.38 0.04 0.58 -0.61 -1.33 0.00 0.00 177.39 176.45 1jty h GLN 96 N 0.33 -0.04 -0.39 3.23 5.75 -1.60 1.02 115.11 123.41 1jty h GLN 96 Ca 0.00 0.00 0.06 0.00 -0.15 0.00 0.00 58.65 58.56 1jty h GLN 96 Cb 0.16 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.69 1jty h GLN 96 CO 0.00 -0.02 0.27 -0.97 -2.65 0.00 0.00 178.83 175.45 1jty h ASN 97 N -0.04 0.26 1.11 -0.69 -0.73 -1.86 0.64 115.58 114.27 1jty h ASN 97 Ca 0.31 -0.00 -0.11 0.00 1.87 0.00 0.00 56.30 58.37 1jty h ASN 97 Cb 0.57 -0.06 -0.02 0.00 0.27 0.00 0.00 38.32 39.09 1jty h ASN 97 CO -0.92 0.17 -0.52 0.00 -0.37 0.00 0.00 177.43 175.79 1jty h ALA 98 N 1.79 0.78 0.20 1.57 0.00 0.69 -3.17 119.26 121.12 1jty h ALA 98 Ca 0.17 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1jty h ALA 98 Cb 0.30 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1jty h ALA 98 CO -0.04 0.65 -0.10 0.82 0.00 0.00 0.00 179.25 180.59 1jty h ILE 99 N 0.00 0.67 -0.43 0.00 2.04 0.15 -2.66 117.51 117.27 1jty h ILE 99 Ca -0.01 -1.03 0.04 0.00 1.00 0.00 0.00 64.86 64.87 1jty h ILE 99 Cb 1.22 1.12 -0.05 0.00 -0.74 0.00 0.00 36.82 38.37 1jty h ILE 99 CO 0.07 0.17 -0.26 -0.38 0.00 0.00 0.00 178.15 177.75 1jty n ILE 100 N -4.96 -0.30 -0.31 -0.67 5.41 -0.49 0.06 119.36 118.10 1jty n ILE 100 Ca -0.07 1.86 0.16 0.00 1.00 0.00 0.00 62.75 65.69 1jty n ILE 100 Cb 0.25 -2.37 0.34 0.00 -0.71 0.00 0.00 39.64 37.14 1jty n ILE 100 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1jty h GLU 101 N 0.00 0.27 -0.10 0.38 5.08 -1.63 0.38 114.58 118.96 1jty h GLU 101 Ca 0.07 -0.02 -0.13 0.00 -1.00 0.00 0.00 59.36 58.28 1jty h GLU 101 Cb 0.18 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1jty h GLU 101 CO -0.41 0.18 -0.52 0.35 -1.00 0.00 0.00 179.01 177.61 1jty h PHE 102 N 0.28 0.33 0.10 4.33 3.04 0.00 -2.98 116.94 122.04 1jty h PHE 102 Ca 0.60 -0.11 -0.00 0.00 3.98 0.00 0.00 57.97 62.43 1jty h PHE 102 Cb 1.23 -0.07 0.00 0.00 2.56 0.00 0.00 35.95 39.68 1jty h PHE 102 CO -0.18 0.74 -0.05 -0.92 -2.02 0.00 0.00 178.31 175.88 1jty h TYR 103 N 0.21 -0.12 -0.93 0.41 5.03 0.13 -3.16 116.97 118.54 1jty h TYR 103 Ca 0.01 -0.00 0.27 0.00 2.58 0.00 0.00 58.73 61.58 1jty h TYR 103 Cb 1.00 0.04 -0.15 0.00 1.55 0.00 0.00 36.73 39.17 1jty h TYR 103 CO 0.02 0.39 0.37 1.79 -1.32 0.00 0.00 178.16 179.41 1jty h THR 104 N -0.88 0.30 -0.76 1.81 1.35 -1.28 0.58 112.91 114.03 1jty h THR 104 Ca -0.01 -0.09 -0.46 0.00 -0.55 0.00 0.00 66.41 65.30 1jty h THR 104 Cb 0.56 0.02 -0.23 0.00 -1.73 0.00 0.00 68.15 66.78 1jty h THR 104 CO 0.02 0.05 0.59 -0.62 -0.25 0.00 0.00 175.52 175.31 1jty n GLU 105 N -5.16 2.12 0.00 4.72 1.02 -1.13 -4.10 120.64 118.11 1jty n GLU 105 Ca 0.26 -2.40 0.00 0.00 -0.02 0.00 0.00 57.16 55.00 1jty n GLU 105 Cb 0.81 -1.94 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 1jty n GLU 105 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1jty n TYR 106 N -0.55 0.00 -0.03 -0.32 4.01 0.17 -4.89 117.16 115.55 1jty n TYR 106 Ca 0.47 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 58.24 1jty n TYR 106 Cb 1.01 0.06 0.39 0.00 -0.31 0.00 0.00 39.34 40.48 1jty n TYR 106 CO 0.00 0.00 0.00 0.10 -0.46 0.00 0.00 176.86 176.50 1jty h TYR 107 N 0.00 0.58 0.00 -0.72 -0.00 -0.84 -3.32 116.97 112.68 1jty h TYR 107 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 58.73 58.74 1jty h TYR 107 Cb 0.47 -0.20 0.00 0.00 -0.00 0.00 0.00 36.73 37.00 1jty h TYR 107 CO 0.00 0.38 0.00 1.17 -0.00 0.00 0.00 178.16 179.71 1jty n LYS 108 N -4.45 0.00 -0.83 0.10 3.00 -1.26 -4.49 118.16 110.23 1jty n LYS 108 Ca 0.04 0.00 -0.20 0.00 -0.00 0.00 0.00 58.31 58.15 1jty n LYS 108 Cb 0.07 -0.35 -0.09 0.00 0.00 0.00 0.00 35.03 34.65 1jty n LYS 108 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1jty n THR 109 N 0.00 0.00 -0.22 3.15 -2.24 -1.25 -4.69 114.28 109.03 1jty n THR 109 Ca 0.00 -0.07 0.30 0.00 -2.27 0.00 0.00 64.05 62.00 1jty n THR 109 Cb 0.00 -0.20 0.71 0.00 -2.10 0.00 0.00 70.33 68.74 1jty n THR 109 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1jty h ASN 110 N 6.50 0.03 -0.07 3.42 4.21 -1.86 -2.24 115.58 125.57 1jty h ASN 110 Ca -0.01 0.01 0.03 0.00 1.21 0.00 0.00 56.30 57.53 1jty h ASN 110 Cb 0.70 -0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.86 1jty h ASN 110 CO 0.81 0.01 -0.12 0.77 -1.29 0.00 0.00 177.43 177.60 1jty h SER 111 N 0.03 -0.37 -0.21 5.81 4.64 -1.94 -2.99 113.55 118.53 1jty h SER 111 Ca 0.47 0.07 -0.18 0.00 -0.47 0.00 0.00 61.79 61.67 1jty h SER 111 Cb 1.81 0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 64.07 1jty h SER 111 CO -0.02 -0.16 -0.54 0.40 -0.87 0.00 0.00 176.83 175.63 1jty h ILE 112 N -0.17 1.28 -0.01 0.95 2.04 -1.72 -2.93 117.51 116.96 1jty h ILE 112 Ca 0.07 -1.74 0.00 0.00 1.00 0.00 0.00 64.86 64.19 1jty h ILE 112 Cb 0.26 1.65 -0.00 0.00 -0.74 0.00 0.00 36.82 37.99 1jty h ILE 112 CO -0.17 0.56 0.31 -1.13 0.00 0.00 0.00 178.15 177.71 1jty h ASN 113 N 0.62 0.00 0.53 1.72 -1.24 -1.39 0.16 115.58 115.98 1jty h ASN 113 Ca 0.02 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 57.00 1jty h ASN 113 Cb 1.13 0.00 0.01 0.00 0.73 0.00 0.00 38.32 40.19 1jty h ASN 113 CO 0.12 0.00 -0.25 -0.33 -1.29 0.00 0.00 177.43 175.67 1jty h GLU 114 N 0.00 -0.68 0.00 6.67 5.08 -1.40 -2.47 114.58 121.78 1jty h GLU 114 Ca 0.00 0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 1jty h GLU 114 Cb 0.62 0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.02 1jty h GLU 114 CO -0.00 -0.45 -0.07 0.87 -1.00 0.00 0.00 179.01 178.35 1jty h LYS 115 N -1.19 0.00 0.63 2.33 1.79 -1.50 -2.53 116.57 116.10 1jty h LYS 115 Ca -0.07 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.37 1jty h LYS 115 Cb 0.55 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.20 1jty h LYS 115 CO 0.12 0.07 -0.30 0.52 -1.08 0.00 0.00 179.45 178.78 1jty h MET 116 N 0.00 -0.81 0.00 3.15 2.86 -0.67 -2.77 114.93 116.69 1jty h MET 116 Ca -0.00 0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1jty h MET 116 Cb 0.47 0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.32 1jty h MET 116 CO 0.01 -0.52 0.00 -0.91 1.06 0.00 0.00 176.91 176.55 1jty h ASN 117 N -0.91 0.00 0.27 1.22 4.21 -1.35 -1.53 115.58 117.49 1jty h ASN 117 Ca -0.09 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.38 1jty h ASN 117 Cb 0.67 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.86 1jty h ASN 117 CO 0.14 0.00 -0.19 0.50 -1.29 0.00 0.00 177.43 176.60 1jty h LYS 118 N 0.00 0.00 0.00 0.81 3.64 -1.18 -2.34 116.57 117.51 1jty h LYS 118 Ca 0.00 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.18 1jty h LYS 118 Cb 0.52 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.31 1jty h LYS 118 CO 0.00 0.19 -1.23 1.28 -2.27 0.00 0.00 179.45 177.42 1jty n LEU 119 N -4.05 1.86 0.00 5.20 4.77 -0.84 -3.68 117.00 120.26 1jty n LEU 119 Ca -0.02 0.46 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 1jty n LEU 119 Cb 0.26 -0.92 0.00 0.00 -2.33 0.00 0.00 43.42 40.44 1jty n LEU 119 CO 0.34 0.11 0.48 -0.62 -1.33 0.00 0.00 177.39 176.37 1jty n GLU 120 N -4.46 0.00 -0.05 3.23 -0.58 -0.63 0.13 120.64 118.28 1jty n GLU 120 Ca -0.28 0.31 0.02 0.00 -0.42 0.00 0.00 57.16 56.78 1jty n GLU 120 Cb 0.60 -1.66 -0.15 0.00 -0.57 0.00 0.00 31.44 29.66 1jty n GLU 120 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1jty n ASN 121 N -1.30 0.36 0.12 1.62 4.13 -0.89 -3.48 115.26 115.83 1jty n ASN 121 Ca 0.00 0.00 -0.11 0.00 1.68 0.00 0.00 54.58 56.15 1jty n ASN 121 Cb 0.16 1.50 -0.07 0.00 -1.54 0.00 0.00 39.78 39.83 1jty n ASN 121 CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 1jty h LYS 122 N 0.00 -0.36 -0.74 3.52 1.79 1.00 -1.80 116.57 119.98 1jty h LYS 122 Ca -0.22 0.02 0.16 0.00 -2.18 0.00 0.00 60.65 58.43 1jty h LYS 122 Cb 1.47 0.08 -0.13 0.00 -1.58 0.00 0.00 32.23 32.07 1jty h LYS 122 CO 0.01 -0.02 -0.08 -0.92 -1.08 0.00 0.00 179.45 177.36 1jty h TYR 123 N -0.92 -0.20 0.00 -1.35 3.20 -1.43 -0.02 116.97 116.24 1jty h TYR 123 Ca -0.04 0.06 -0.07 0.00 3.14 0.00 0.00 58.73 61.82 1jty h TYR 123 Cb 0.50 0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.97 1jty h TYR 123 CO 0.05 -0.28 -0.34 0.82 -1.64 0.00 0.00 178.16 176.77 1jty h ILE 124 N 0.05 0.82 -0.11 1.81 1.08 -1.59 -3.38 117.51 116.20 1jty h ILE 124 Ca 0.38 -1.42 0.02 0.00 -0.39 0.00 0.00 64.86 63.46 1jty h ILE 124 Cb 0.64 1.88 -0.04 0.00 -3.07 0.00 0.00 36.82 36.23 1jty h ILE 124 CO -0.70 0.33 -0.34 -0.78 -0.69 0.00 0.00 178.15 175.97 1jty h ASP 125 N 0.00 -1.09 0.00 1.72 1.82 -0.07 -2.14 116.42 116.66 1jty h ASP 125 Ca -0.00 0.13 0.00 0.00 -0.39 0.00 0.00 57.03 56.77 1jty h ASP 125 Cb 0.85 0.43 0.00 0.00 0.68 0.00 0.00 39.33 41.29 1jty h ASP 125 CO 0.04 -0.29 0.59 0.00 -1.61 0.00 0.00 179.24 177.97 1jty h ALA 126 N -0.69 1.54 0.08 -0.78 0.00 -1.73 1.03 119.26 118.70 1jty h ALA 126 Ca 0.02 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.74 1jty h ALA 126 Cb 0.42 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1jty h ALA 126 CO -0.29 -0.54 -0.99 1.88 0.00 0.00 0.00 179.25 179.31 1jty h TYR 127 N 0.00 0.32 -0.73 0.00 0.05 -1.65 -3.03 116.97 111.94 1jty h TYR 127 Ca 0.00 -0.24 0.05 0.00 0.05 0.00 0.00 58.73 58.59 1jty h TYR 127 Cb 1.18 -0.01 -0.05 0.00 1.01 0.00 0.00 36.73 38.85 1jty h TYR 127 CO 0.00 1.39 0.44 1.25 -1.05 0.00 0.00 178.16 180.18 1jty h HIS 128 N -0.55 0.81 0.03 4.88 2.76 0.12 0.50 115.15 123.70 1jty h HIS 128 Ca -0.22 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.00 1jty h HIS 128 Cb 1.53 -0.26 -0.03 0.00 1.55 0.00 0.00 27.41 30.20 1jty h HIS 128 CO 0.17 0.42 -0.17 0.28 -1.30 0.00 0.00 177.93 177.33 1jty h VAL 129 N 0.82 0.60 0.31 5.26 2.07 -0.91 0.69 116.25 125.08 1jty h VAL 129 Ca 0.31 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.82 1jty h VAL 129 Cb 0.13 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 1jty h VAL 129 CO -0.15 0.00 -0.15 0.40 0.02 0.00 0.00 177.57 177.69 1jty h ILE 130 N -0.30 0.70 -0.05 4.57 2.04 -1.28 -1.18 117.51 122.02 1jty h ILE 130 Ca 0.04 -0.03 -0.04 0.00 1.00 0.00 0.00 64.86 65.83 1jty h ILE 130 Cb 0.35 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 1jty h ILE 130 CO -0.14 0.01 -0.16 -0.26 0.00 0.00 0.00 178.15 177.60 1jty h PHE 131 N -0.43 0.08 0.00 1.37 0.04 -0.74 0.56 116.94 117.81 1jty h PHE 131 Ca -0.04 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.72 1jty h PHE 131 Cb 0.33 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.46 1jty h PHE 131 CO -0.05 0.24 0.00 1.17 -0.60 0.00 0.00 178.31 179.06 1jty n LYS 132 N -4.31 0.00 -0.20 1.51 4.81 0.24 -2.84 118.16 117.37 1jty n LYS 132 Ca -0.02 0.29 0.30 0.00 -0.87 0.00 0.00 58.31 58.01 1jty n LYS 132 Cb 0.25 -1.07 0.73 0.00 0.02 0.00 0.00 35.03 34.95 1jty n LYS 132 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1jty h GLU 133 N 0.00 0.00 -0.08 1.64 5.08 -1.24 0.53 114.58 120.51 1jty h GLU 133 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1jty h GLU 133 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1jty h GLU 133 CO 0.00 0.00 0.03 0.78 -1.00 0.00 0.00 179.01 178.82 1jty h GLY 134 N 0.00 0.11 1.22 -3.84 0.00 0.14 -0.89 103.07 99.81 1jty h GLY 134 Ca 0.45 -0.05 -0.33 0.00 0.00 0.00 0.00 47.33 47.40 1jty h GLY 134 CO -0.00 0.04 -1.53 3.43 0.00 0.00 0.00 176.54 178.48 1jty h ASN 135 N 0.11 0.68 0.00 0.19 2.35 0.22 -1.30 115.58 117.83 1jty h ASN 135 Ca 0.03 -0.81 0.00 0.00 -0.55 0.00 0.00 56.30 54.96 1jty h ASN 135 Cb 0.03 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.18 1jty h ASN 135 CO -0.00 1.66 0.00 -0.11 -1.65 0.00 0.00 177.43 177.32 1jty n LEU 136 N -3.63 0.00 -0.68 1.61 0.00 -0.60 -1.51 117.00 112.18 1jty n LEU 136 Ca -0.18 0.00 0.05 0.00 0.00 0.00 0.00 56.01 55.88 1jty n LEU 136 Cb 1.08 0.00 0.09 0.00 0.00 0.00 0.00 43.42 44.59 1jty n LEU 136 CO 0.56 0.00 0.31 0.59 0.00 0.00 0.00 177.39 178.85 1jty n ASN 137 N -0.88 1.26 -3.88 1.96 4.13 -0.44 -5.00 115.26 112.41 1jty n ASN 137 Ca 0.07 -2.74 -0.27 0.00 1.68 0.00 0.00 54.58 53.32 1jty n ASN 137 Cb 0.03 -0.36 -0.07 0.00 -1.54 0.00 0.00 39.78 37.84 1jty n ASN 137 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jty n GLY 138 N -0.50 -0.16 0.07 7.41 0.00 -0.57 -4.72 105.19 106.71 1jty n GLY 138 Ca 0.10 0.11 -0.02 0.00 0.00 0.00 0.00 46.02 46.22 1jty n GLY 138 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1jty n GLU 139 N -3.60 0.68 -3.79 1.61 2.13 -0.50 -5.02 120.64 112.15 1jty n GLU 139 Ca -0.15 -0.07 -0.04 0.00 0.66 0.00 0.00 57.16 57.56 1jty n GLU 139 Cb 0.48 -1.53 -0.01 0.00 0.27 0.00 0.00 31.44 30.65 1jty n GLU 139 CO 0.00 0.00 0.00 1.67 -0.41 0.00 0.00 177.13 178.39 1jty s TRP 140 N -2.90 -0.09 -0.46 4.31 -2.14 -1.19 -5.04 118.94 111.44 1jty s TRP 140 Ca -0.09 -0.28 0.03 0.00 2.66 0.00 0.00 56.10 58.41 1jty s TRP 140 Cb 0.09 0.67 0.14 0.00 -3.10 0.00 0.00 33.47 31.27 1jty s TRP 140 CO 0.86 -0.95 0.25 0.45 -2.66 0.00 0.00 176.95 174.90 1jty s SER 141 N -3.02 3.75 -0.26 -2.66 0.15 -1.25 -4.23 113.70 106.17 1jty s SER 141 Ca 0.14 -2.74 -0.10 0.00 0.70 0.00 0.00 55.95 53.95 1jty s SER 141 Cb -0.02 -1.14 -0.04 0.00 -1.71 0.00 0.00 66.02 63.10 1jty s SER 141 CO 0.04 -0.25 0.15 -0.63 1.20 0.00 0.00 173.24 173.75 1jty s ILE 142 N 0.18 5.06 -0.02 6.45 1.01 -1.26 -4.84 121.20 127.78 1jty s ILE 142 Ca 0.18 0.08 -0.01 0.00 0.00 0.00 0.00 60.65 60.91 1jty s ILE 142 Cb -0.23 -3.39 -0.00 0.00 0.01 0.00 0.00 42.46 38.85 1jty s ILE 142 CO -0.01 0.30 0.09 0.78 0.00 0.00 0.00 174.94 176.10 1jty h ASN 143 N 8.08 -0.02 -2.21 3.58 4.21 -1.98 -3.38 115.58 123.85 1jty h ASN 143 Ca -0.36 0.00 -0.75 0.00 1.21 0.00 0.00 56.30 56.39 1jty h ASN 143 Cb 1.18 0.01 -0.19 0.00 -1.12 0.00 0.00 38.32 38.20 1jty h ASN 143 CO 0.58 0.10 1.36 -0.67 -1.29 0.00 0.00 177.43 177.51 1jty n ASP 144 N -2.71 5.30 -0.21 5.81 4.64 -1.26 -4.77 116.55 123.35 1jty n ASP 144 Ca -0.00 -3.04 0.11 0.00 -1.38 0.00 0.00 54.79 50.48 1jty n ASP 144 Cb 0.01 -1.51 0.41 0.00 -1.04 0.00 0.00 41.12 38.99 1jty n ASP 144 CO 0.00 0.00 0.00 0.58 -0.82 0.00 0.00 177.20 176.96 1jty h VAL 145 N 4.24 0.88 0.00 5.18 2.07 -1.96 -1.17 116.25 125.49 1jty h VAL 145 Ca 0.31 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.60 1jty h VAL 145 Cb 0.80 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1jty h VAL 145 CO 1.31 0.11 -0.11 -1.13 0.02 0.00 0.00 177.57 177.77 1jty h ASN 146 N 0.62 0.00 0.14 0.57 -1.24 -1.96 -0.93 115.58 112.78 1jty h ASN 146 Ca 0.38 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.39 1jty h ASN 146 Cb 0.62 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.67 1jty h ASN 146 CO -0.15 0.11 -0.07 0.00 -1.29 0.00 0.00 177.43 176.03 1jty h ALA 147 N 1.89 -0.18 -0.70 1.57 0.00 -1.62 -3.15 119.26 117.07 1jty h ALA 147 Ca -0.00 -0.15 0.15 0.00 0.00 0.00 0.00 54.91 54.91 1jty h ALA 147 Cb 0.24 0.07 -0.11 0.00 0.00 0.00 0.00 17.79 17.99 1jty h ALA 147 CO 0.01 -0.19 0.12 0.28 0.00 0.00 0.00 179.25 179.47 1jty h VAL 148 N -1.00 0.50 0.00 0.00 2.07 -1.39 0.66 116.25 117.09 1jty h VAL 148 Ca -0.02 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1jty h VAL 148 Cb 0.36 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1jty h VAL 148 CO 0.03 0.04 0.06 0.28 0.02 0.00 0.00 177.57 178.00 1jty h SER 149 N 0.22 0.00 0.00 0.57 0.02 -1.25 0.28 113.55 113.38 1jty h SER 149 Ca 0.39 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 61.02 1jty h SER 149 Cb 0.65 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.14 1jty h SER 149 CO -0.52 0.00 -1.82 0.29 -1.14 0.00 0.00 176.83 173.64 1jty n LYS 150 N -2.43 0.57 -0.06 3.45 5.02 0.20 -3.82 118.16 121.08 1jty n LYS 150 Ca -0.02 0.39 -0.07 0.00 -2.02 0.00 0.00 58.31 56.59 1jty n LYS 150 Cb 0.10 -1.59 -0.02 0.00 -0.02 0.00 0.00 35.03 33.50 1jty n LYS 150 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1jty h ILE 151 N -1.00 0.74 0.85 -0.18 2.04 0.09 -1.52 117.51 118.53 1jty h ILE 151 Ca -0.47 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.35 1jty h ILE 151 Cb 1.38 0.74 0.01 0.00 -0.74 0.00 0.00 36.82 38.20 1jty h ILE 151 CO -0.28 0.00 -0.43 0.00 0.00 0.00 0.00 178.15 177.44 1jty h ALA 152 N 1.25 -1.31 -0.96 1.87 0.00 -0.71 0.11 119.26 119.51 1jty h ALA 152 Ca 0.12 -0.25 0.31 0.00 0.00 0.00 0.00 54.91 55.09 1jty h ALA 152 Cb 0.19 0.47 -0.16 0.00 0.00 0.00 0.00 17.79 18.29 1jty h ALA 152 CO -0.27 -1.23 0.34 0.00 0.00 0.00 0.00 179.25 178.10 1jty h ALA 153 N -1.43 1.62 0.01 0.00 0.00 -1.64 0.23 119.26 118.05 1jty h ALA 153 Ca -0.12 0.25 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1jty h ALA 153 Cb 0.90 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1jty h ALA 153 CO 0.18 -0.63 -0.00 -0.91 0.00 0.00 0.00 179.25 177.89 1jty h ASN 154 N 0.15 -0.01 -0.84 0.00 -0.26 -0.95 -2.27 115.58 111.40 1jty h ASN 154 Ca 0.67 -0.67 0.05 0.00 -0.56 0.00 0.00 56.30 55.79 1jty h ASN 154 Cb 1.53 0.00 -0.06 0.00 -1.06 0.00 0.00 38.32 38.74 1jty h ASN 154 CO -0.73 0.67 0.53 0.00 -1.06 0.00 0.00 177.43 176.84 1jty h ALA 155 N 0.28 1.13 0.33 -0.83 0.00 0.39 0.14 119.26 120.69 1jty h ALA 155 Ca -0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1jty h ALA 155 Cb 0.68 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1jty h ALA 155 CO 0.00 0.30 -0.16 0.28 0.00 0.00 0.00 179.25 179.68 1jty h VAL 156 N 0.99 0.69 -0.72 0.00 2.07 -0.67 -0.56 116.25 118.05 1jty h VAL 156 Ca 0.35 -0.14 0.20 0.00 0.82 0.00 0.00 66.70 67.93 1jty h VAL 156 Cb 0.10 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 1jty h VAL 156 CO -0.15 0.03 0.51 -1.13 0.02 0.00 0.00 177.57 176.85 1jty h ASN 157 N -0.51 0.09 0.36 0.57 -0.73 -0.97 0.45 115.58 114.84 1jty h ASN 157 Ca -0.04 0.01 -0.02 0.00 1.87 0.00 0.00 56.30 58.11 1jty h ASN 157 Cb 0.38 -0.01 0.00 0.00 0.27 0.00 0.00 38.32 38.97 1jty h ASN 157 CO 0.07 0.04 -0.17 1.23 -0.37 0.00 0.00 177.43 178.23 1jty h GLY 158 N 0.09 -0.51 0.51 1.57 0.00 0.16 0.18 103.07 105.08 1jty h GLY 158 Ca 0.35 0.19 0.13 0.00 0.00 0.00 0.00 47.33 47.99 1jty h GLY 158 CO -0.04 -0.18 0.60 -2.22 0.00 0.00 0.00 176.54 174.70 1jty h ILE 159 N -0.66 0.89 0.28 2.60 2.04 0.12 -1.62 117.51 121.16 1jty h ILE 159 Ca -0.05 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 1jty h ILE 159 Cb 0.47 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.50 1jty h ILE 159 CO 0.08 0.16 -0.13 0.58 0.00 0.00 0.00 178.15 178.84 1jty h VAL 160 N 0.87 0.00 -0.47 1.67 2.07 -0.47 -3.29 116.25 116.63 1jty h VAL 160 Ca 0.47 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.75 1jty h VAL 160 Cb 0.57 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 1jty h VAL 160 CO -0.24 0.00 0.30 0.74 0.02 0.00 0.00 177.57 178.39 1jty h THR 161 N -0.62 1.13 -0.00 2.57 2.02 -0.56 -3.15 112.91 114.29 1jty h THR 161 Ca -0.04 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.90 1jty h THR 161 Cb 0.29 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 67.14 1jty h THR 161 CO 0.06 0.12 -0.29 0.49 0.37 0.00 0.00 175.52 176.28 1jty n PHE 162 N -4.46 0.00 0.05 3.16 3.01 -0.62 -4.00 117.46 114.61 1jty n PHE 162 Ca 0.04 0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.55 1jty n PHE 162 Cb 0.06 -0.19 0.10 0.00 -0.01 0.00 0.00 39.48 39.44 1jty n PHE 162 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1jty n THR 163 N -1.01 0.64 0.00 4.37 -2.24 -1.19 -4.78 114.28 110.07 1jty n THR 163 Ca 0.10 -0.82 0.00 0.00 -2.27 0.00 0.00 64.05 61.06 1jty n THR 163 Cb 0.33 0.76 0.00 0.00 -2.10 0.00 0.00 70.33 69.32 1jty n THR 163 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1jty n HIS 164 N 0.46 0.00 -0.30 4.78 -0.00 -1.22 -2.14 115.22 116.79 1jty n HIS 164 Ca 0.09 0.00 0.09 0.00 -0.00 0.00 0.00 57.72 57.90 1jty n HIS 164 Cb 0.35 -0.48 0.26 0.00 -0.00 0.00 0.00 29.99 30.12 1jty n HIS 164 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.34 177.39 1jty h GLU 165 N 0.00 0.56 0.00 1.57 4.11 -1.91 -3.47 114.58 115.44 1jty h GLU 165 Ca 0.00 -0.03 -0.35 0.00 0.07 0.00 0.00 59.36 59.05 1jty h GLU 165 Cb 0.00 -0.13 0.02 0.00 0.50 0.00 0.00 28.75 29.15 1jty h GLU 165 CO 0.00 0.37 -0.04 0.00 0.07 0.00 0.00 179.01 179.41 1jty n GLN 166 N -4.91 0.69 -1.37 1.06 10.64 -0.91 -5.06 117.38 117.53 1jty n GLN 166 Ca 0.19 -2.23 -0.54 0.00 -1.83 0.00 0.00 57.00 52.59 1jty n GLN 166 Cb 0.51 -0.19 -0.09 0.00 -0.86 0.00 0.00 30.24 29.62 1jty n GLN 166 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 1jty n ASN 167 N -2.54 1.57 -0.48 2.61 4.05 -1.26 -4.87 115.26 114.34 1jty n ASN 167 Ca 0.12 0.51 0.43 0.00 0.45 0.00 0.00 54.58 56.09 1jty n ASN 167 Cb 0.43 -1.12 0.74 0.00 1.23 0.00 0.00 39.78 41.06 1jty n ASN 167 CO 0.00 0.00 0.00 -0.29 -3.05 0.00 0.00 177.26 173.92 1jty h ILE 168 N 7.06 0.13 0.22 -1.44 6.09 -1.96 0.60 117.51 128.21 1jty h ILE 168 Ca -0.20 0.00 -0.35 0.00 -1.37 0.00 0.00 64.86 62.94 1jty h ILE 168 Cb 1.36 0.14 0.02 0.00 0.47 0.00 0.00 36.82 38.81 1jty h ILE 168 CO 1.05 0.00 -1.65 0.78 -3.07 0.00 0.00 178.15 175.26 1jty h ASN 169 N 0.00 0.72 -0.68 2.19 2.35 -2.00 -2.78 115.58 115.39 1jty h ASN 169 Ca 0.73 -0.93 -0.06 0.00 -0.55 0.00 0.00 56.30 55.49 1jty h ASN 169 Cb 3.11 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 41.22 1jty h ASN 169 CO -0.01 1.77 0.19 -0.33 -1.65 0.00 0.00 177.43 177.40 1jty h GLU 170 N 0.12 1.06 0.26 0.81 4.39 -0.30 -1.59 114.58 119.34 1jty h GLU 170 Ca -0.31 -0.24 0.00 0.00 0.34 0.00 0.00 59.36 59.15 1jty h GLU 170 Cb 2.13 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 30.61 1jty h GLU 170 CO 0.22 0.94 -0.29 0.00 -1.16 0.00 0.00 179.01 178.71 1jty h ARG 171 N 1.00 -0.57 -0.49 2.33 3.08 -1.02 -0.67 114.38 118.03 1jty h ARG 171 Ca 0.22 0.04 0.10 0.00 0.07 0.00 0.00 59.98 60.40 1jty h ARG 171 Cb 0.33 0.13 -0.09 0.00 0.08 0.00 0.00 29.97 30.42 1jty h ARG 171 CO -0.00 -0.38 -0.13 0.82 -1.07 0.00 0.00 179.97 179.20 1jty h ILE 172 N -0.60 0.49 -0.95 2.04 1.08 -1.19 0.12 117.51 118.50 1jty h ILE 172 Ca -0.00 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.54 1jty h ILE 172 Cb 0.56 0.49 -0.07 0.00 -3.07 0.00 0.00 36.82 34.74 1jty h ILE 172 CO -0.08 0.00 0.62 0.50 -0.69 0.00 0.00 178.15 178.50 1jty h LYS 173 N -0.01 1.04 -0.12 2.37 3.64 -0.85 -1.03 116.57 121.62 1jty h LYS 173 Ca 0.24 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.47 1jty h LYS 173 Cb 0.37 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1jty h LYS 173 CO -0.51 0.69 -0.25 -0.07 -2.27 0.00 0.00 179.45 177.03 1jty h LEU 174 N 1.07 0.43 0.24 5.20 3.38 -0.04 -2.18 115.31 123.42 1jty h LEU 174 Ca 0.42 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1jty h LEU 174 Cb 0.24 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1jty h LEU 174 CO -0.17 0.91 -0.51 -0.03 0.09 0.00 0.00 178.44 178.73 1jty h MET 175 N -0.04 -0.79 -0.70 1.13 4.05 -0.51 0.23 114.93 118.30 1jty h MET 175 Ca 0.00 0.05 0.04 0.00 -0.28 0.00 0.00 59.70 59.52 1jty h MET 175 Cb 0.85 0.18 -0.04 0.00 -0.80 0.00 0.00 31.60 31.79 1jty h MET 175 CO 0.06 -0.53 0.46 -0.91 0.23 0.00 0.00 176.91 176.22 1jty h ASN 176 N -0.82 0.69 -0.81 1.39 -0.26 -1.29 0.57 115.58 115.05 1jty h ASN 176 Ca -0.02 -0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.69 1jty h ASN 176 Cb 0.78 -0.15 -0.04 0.00 -1.06 0.00 0.00 38.32 37.85 1jty h ASN 176 CO -0.21 0.47 0.43 0.50 -1.06 0.00 0.00 177.43 177.55 1jty h LYS 177 N 0.80 1.15 0.76 0.81 3.11 -0.68 0.47 116.57 122.98 1jty h LYS 177 Ca 0.29 -0.15 -0.04 0.00 -2.81 0.00 0.00 60.65 57.94 1jty h LYS 177 Cb 0.14 -0.22 0.01 0.00 -1.00 0.00 0.00 32.23 31.16 1jty h LYS 177 CO -0.09 0.86 -0.37 0.35 -2.81 0.00 0.00 179.45 177.40 1jty h PHE 178 N 1.14 -0.95 -1.51 1.91 3.57 0.28 -2.71 116.94 118.66 1jty h PHE 178 Ca 0.28 -0.02 0.44 0.00 3.53 0.00 0.00 57.97 62.20 1jty h PHE 178 Cb 0.06 0.31 -0.08 0.00 2.79 0.00 0.00 35.95 39.04 1jty h PHE 178 CO 0.01 -0.59 1.06 1.03 -2.23 0.00 0.00 178.31 177.59 1jty h SER 179 N -1.16 0.07 0.15 0.41 0.87 0.19 0.22 113.55 114.29 1jty h SER 179 Ca -0.10 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.48 1jty h SER 179 Cb 0.78 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.77 1jty h SER 179 CO 0.17 -0.02 -0.07 -0.61 -0.53 0.00 0.00 176.83 175.77 1jty h GLN 180 N 0.04 -0.19 -0.83 2.24 4.15 -0.71 -3.01 115.11 116.80 1jty h GLN 180 Ca 0.75 0.01 0.19 0.00 0.77 0.00 0.00 58.65 60.38 1jty h GLN 180 Cb 2.86 0.04 -0.15 0.00 0.21 0.00 0.00 27.48 30.44 1jty h GLN 180 CO -0.09 -0.13 -0.07 0.82 -1.93 0.00 0.00 178.83 177.43 1jty h ILE 181 N -0.30 0.21 -0.63 2.39 2.04 -0.59 0.04 117.51 120.67 1jty h ILE 181 Ca -0.02 -0.02 0.04 0.00 1.00 0.00 0.00 64.86 65.86 1jty h ILE 181 Cb 0.15 0.16 -0.04 0.00 -0.74 0.00 0.00 36.82 36.35 1jty h ILE 181 CO 0.03 0.01 0.42 0.15 0.00 0.00 0.00 178.15 178.76 1jty h PHE 182 N 0.05 0.71 0.14 1.37 3.57 -0.76 -1.62 116.94 120.40 1jty h PHE 182 Ca 0.45 0.02 -0.28 0.00 3.53 0.00 0.00 57.97 61.68 1jty h PHE 182 Cb 0.78 -0.24 0.01 0.00 2.79 0.00 0.00 35.95 39.29 1jty h PHE 182 CO -0.53 0.41 -1.30 -0.07 -2.23 0.00 0.00 178.31 174.60 1jty h LEU 183 N 0.74 0.45 0.00 0.59 3.38 -0.91 -3.12 115.31 116.44 1jty h LEU 183 Ca 0.25 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1jty h LEU 183 Cb 0.09 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1jty h LEU 183 CO -0.07 1.39 0.00 -3.20 0.09 0.00 0.00 178.44 176.65 1jty n ASN 184 N -3.53 0.00 -0.84 -0.43 2.85 -0.35 -0.86 115.26 112.09 1jty n ASN 184 Ca -0.10 0.24 0.12 0.00 -0.11 0.00 0.00 54.58 54.73 1jty n ASN 184 Cb 1.03 -0.35 0.27 0.00 1.24 0.00 0.00 39.78 41.98 1jty n ASN 184 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1jty n GLY 185 N -0.40 0.88 2.40 8.20 0.00 -0.68 -4.74 105.19 110.86 1jty n GLY 185 Ca 0.04 -0.60 -0.30 0.00 0.00 0.00 0.00 46.02 45.16 1jty n GLY 185 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jty n LEU 186 N 0.95 7.06 0.00 0.99 4.77 -0.04 -5.11 117.00 125.62 1jty n LEU 186 Ca 0.17 -4.25 0.00 0.00 -0.03 0.00 0.00 56.01 51.90 1jty n LEU 186 Cb 0.50 -1.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.25 1jty n LEU 186 CO 0.15 1.87 0.00 -1.20 -1.33 0.00 0.00 177.39 176.88