#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ust n GLU 40 N 0.00 -2.92 -1.85 -1.58 4.07 -1.26 -4.91 120.64 112.19 1ust n GLU 40 Ca 0.00 0.83 -0.39 0.00 -0.06 0.00 0.00 57.16 57.54 1ust n GLU 40 Cb 0.00 -5.68 0.02 0.00 -0.06 0.00 0.00 31.44 25.72 1ust n GLU 40 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 1ust s GLU 41 N -4.51 3.48 0.08 5.31 0.41 -1.26 -4.93 118.70 117.28 1ust s GLU 41 Ca 0.36 2.27 0.10 0.00 -0.41 0.00 0.00 54.97 57.29 1ust s GLU 41 Cb -0.05 -2.48 -0.18 0.00 -1.78 0.00 0.00 34.13 29.64 1ust s GLU 41 CO 0.71 -0.93 1.06 0.00 -0.49 0.00 0.00 175.26 175.62 1ust h ALA 42 N 1.97 0.54 0.00 5.21 0.00 -1.99 -3.43 119.26 121.56 1ust h ALA 42 Ca -0.51 -1.04 0.00 0.00 0.00 0.00 0.00 54.91 53.36 1ust h ALA 42 Cb 1.28 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1ust h ALA 42 CO 0.59 1.27 0.00 -1.13 0.00 0.00 0.00 179.25 179.99 1ust n SER 43 N -3.20 0.00 -2.69 0.00 3.41 -1.26 -4.76 113.62 105.11 1ust n SER 43 Ca -0.06 -0.21 -0.26 0.00 -0.26 0.00 0.00 58.87 58.08 1ust n SER 43 Cb 0.95 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.80 1ust n SER 43 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ust n SER 44 N 0.00 7.11 -4.76 4.04 7.64 -1.26 -4.67 113.62 121.71 1ust n SER 44 Ca 0.00 -2.53 -0.40 0.00 1.01 0.00 0.00 58.87 56.96 1ust n SER 44 Cb 0.05 -1.49 -0.06 0.00 -1.01 0.00 0.00 64.21 61.70 1ust n SER 44 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1ust s LYS 45 N 1.62 4.61 -0.24 1.43 -0.14 -1.26 -4.92 119.74 120.84 1ust s LYS 45 Ca 0.69 1.22 -0.29 0.00 -1.36 0.00 0.00 55.97 56.23 1ust s LYS 45 Cb 0.25 -3.30 -0.02 0.00 -1.68 0.00 0.00 37.83 33.08 1ust s LYS 45 CO -0.03 0.46 1.46 -1.12 -0.76 0.00 0.00 175.35 175.36 1ust s SER 46 N -0.79 6.56 0.46 2.83 0.01 -1.26 -4.86 113.70 116.65 1ust s SER 46 Ca 0.38 1.50 0.14 0.00 1.31 0.00 0.00 55.95 59.29 1ust s SER 46 Cb -0.23 -2.54 1.06 0.00 0.21 0.00 0.00 66.02 64.52 1ust s SER 46 CO 0.27 -1.12 2.04 1.88 0.41 0.00 0.00 173.24 176.72 1ust h TYR 47 N 9.87 0.06 -0.47 2.43 -1.99 -1.98 -2.40 116.97 122.48 1ust h TYR 47 Ca -0.30 -0.00 0.09 0.00 2.00 0.00 0.00 58.73 60.51 1ust h TYR 47 Cb 1.13 -0.02 -0.08 0.00 2.00 0.00 0.00 36.73 39.77 1ust h TYR 47 CO 0.89 0.15 0.01 -0.09 -0.00 0.00 0.00 178.16 179.12 1ust h ARG 48 N 0.06 0.12 -0.28 4.88 2.43 -1.93 0.49 114.38 120.14 1ust h ARG 48 Ca 0.01 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1ust h ARG 48 Cb 0.20 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 1ust h ARG 48 CO 0.01 0.08 0.13 0.93 -1.51 0.00 0.00 179.97 179.62 1ust h GLU 49 N 0.12 0.41 -0.15 0.20 4.39 -1.84 -0.36 114.58 117.36 1ust h GLU 49 Ca 0.23 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.87 1ust h GLU 49 Cb 0.34 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 1ust h GLU 49 CO -0.38 0.40 0.10 -0.07 -1.16 0.00 0.00 179.01 177.90 1ust h LEU 50 N 0.32 0.17 0.31 1.33 4.07 -1.17 -0.45 115.31 119.90 1ust h LEU 50 Ca 0.10 -0.01 -0.02 0.00 0.08 0.00 0.00 57.88 58.03 1ust h LEU 50 Cb 0.13 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 41.83 1ust h LEU 50 CO -0.01 0.13 -0.15 0.40 -1.08 0.00 0.00 178.44 177.73 1ust h ILE 51 N 0.20 0.72 -0.44 1.22 2.04 0.06 -2.61 117.51 118.70 1ust h ILE 51 Ca 0.05 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.52 1ust h ILE 51 Cb -0.02 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 1ust h ILE 51 CO -0.01 0.08 0.28 0.40 0.00 0.00 0.00 178.15 178.90 1ust h ILE 52 N -0.63 1.13 -0.97 -0.67 2.04 -1.04 1.02 117.51 118.39 1ust h ILE 52 Ca -0.04 -0.26 0.13 0.00 1.00 0.00 0.00 64.86 65.68 1ust h ILE 52 Cb 0.45 0.51 -0.08 0.00 -0.74 0.00 0.00 36.82 36.96 1ust h ILE 52 CO 0.07 0.13 0.62 -0.08 0.00 0.00 0.00 178.15 178.88 1ust h GLU 53 N 0.59 0.89 0.00 2.37 4.81 -1.09 -0.99 114.58 121.15 1ust h GLU 53 Ca 0.16 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1ust h GLU 53 Cb -0.04 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.14 1ust h GLU 53 CO -0.03 0.59 -0.02 0.78 -0.73 0.00 0.00 179.01 179.59 1ust h GLY 54 N 0.91 0.00 -0.55 1.92 0.00 -1.01 -3.34 103.07 101.00 1ust h GLY 54 Ca 0.48 0.00 0.34 0.00 0.00 0.00 0.00 47.33 48.15 1ust h GLY 54 CO -0.25 0.00 0.75 -2.00 0.00 0.00 0.00 176.54 175.04 1ust h LEU 55 N -1.00 0.35 -0.84 3.11 5.85 0.13 0.89 115.31 123.79 1ust h LEU 55 Ca -0.00 0.10 -0.11 0.00 0.84 0.00 0.00 57.88 58.71 1ust h LEU 55 Cb 0.03 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 1ust h LEU 55 CO -0.00 -0.03 -0.37 0.00 -0.34 0.00 0.00 178.44 177.70 1ust h THR 56 N 0.25 1.30 0.00 1.05 1.03 -1.36 -3.08 112.91 112.10 1ust h THR 56 Ca 0.69 -1.48 -0.12 0.00 -0.01 0.00 0.00 66.41 65.49 1ust h THR 56 Cb 1.97 1.56 -0.02 0.00 -1.07 0.00 0.00 68.15 70.59 1ust h THR 56 CO -0.34 0.46 -0.76 0.00 -0.01 0.00 0.00 175.52 174.86 1ust h ALA 57 N 1.26 0.13 -0.34 0.00 0.00 0.52 -3.39 119.26 117.44 1ust h ALA 57 Ca 0.04 -0.82 -0.01 0.00 0.00 0.00 0.00 54.91 54.12 1ust h ALA 57 Cb 0.82 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1ust h ALA 57 CO 0.07 0.48 0.01 1.47 0.00 0.00 0.00 179.25 181.28 1ust n LEU 58 N -4.54 3.81 0.33 0.00 -0.00 0.45 -4.27 117.00 112.79 1ust n LEU 58 Ca -0.20 -1.93 0.23 0.00 -0.00 0.00 0.00 56.01 54.11 1ust n LEU 58 Cb 0.48 -0.61 1.19 0.00 -0.00 0.00 0.00 43.42 44.49 1ust n LEU 58 CO 0.17 0.48 1.17 0.07 -0.00 0.00 0.00 177.39 179.29 1ust h LYS 59 N 2.26 0.00 0.00 1.47 -0.00 -1.74 -3.39 116.57 115.17 1ust h LYS 59 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.66 1ust h LYS 59 Cb 1.39 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.62 1ust h LYS 59 CO 0.30 0.00 0.00 0.39 -0.00 0.00 0.00 179.45 180.14 1ust n GLU 60 N -3.06 0.00 -0.03 0.07 1.02 -1.26 0.19 120.64 117.56 1ust n GLU 60 Ca -0.03 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 56.97 1ust n GLU 60 Cb 0.08 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.40 1ust n GLU 60 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 1ust h ARG 61 N 0.00 0.15 0.00 3.49 2.43 -1.98 -3.45 114.38 115.02 1ust h ARG 61 Ca 0.00 -0.12 -0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1ust h ARG 61 Cb 0.00 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1ust h ARG 61 CO 0.00 0.76 -0.01 0.36 -1.51 0.00 0.00 179.97 179.57 1ust n LYS 62 N -4.63 0.00 0.00 0.20 2.85 -0.92 -5.14 118.16 110.53 1ust n LYS 62 Ca -0.09 -0.03 0.00 0.00 -1.05 0.00 0.00 58.31 57.14 1ust n LYS 62 Cb 0.40 0.39 0.00 0.00 -0.65 0.00 0.00 35.03 35.16 1ust n LYS 62 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1ust n GLY 63 N 0.00 1.44 3.43 2.58 0.00 0.13 -4.66 105.19 108.11 1ust n GLY 63 Ca -0.01 0.37 -0.33 0.00 0.00 0.00 0.00 46.02 46.05 1ust n GLY 63 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ust s SER 64 N 0.00 4.16 0.29 1.61 1.04 0.28 -4.63 113.70 116.44 1ust s SER 64 Ca 0.00 -0.24 -0.30 0.00 0.48 0.00 0.00 55.95 55.89 1ust s SER 64 Cb 0.00 -1.39 -0.12 0.00 0.10 0.00 0.00 66.02 64.61 1ust s SER 64 CO 0.00 0.23 1.51 -1.20 0.98 0.00 0.00 173.24 174.76 1ust n SER 65 N 3.09 3.45 -0.33 7.02 7.64 -1.26 0.07 113.62 133.30 1ust n SER 65 Ca -0.18 1.15 0.07 0.00 1.01 0.00 0.00 58.87 60.92 1ust n SER 65 Cb 0.53 -1.54 0.23 0.00 -1.01 0.00 0.00 64.21 62.41 1ust n SER 65 CO 0.00 0.00 0.00 0.08 -3.01 0.00 0.00 175.04 172.11 1ust h ARG 66 N 4.35 0.82 -0.18 1.43 0.11 -1.82 -0.86 114.38 118.24 1ust h ARG 66 Ca -0.47 -0.05 0.05 0.00 0.10 0.00 0.00 59.98 59.62 1ust h ARG 66 Cb 1.24 -0.19 -0.01 0.00 1.11 0.00 0.00 29.97 32.13 1ust h ARG 66 CO 0.76 0.54 0.14 -1.00 0.10 0.00 0.00 179.97 180.52 1ust h PRO 67 N 0.85 0.00 -0.31 0.08 0.13 -1.90 -1.87 132.00 128.97 1ust h PRO 67 Ca 0.47 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.59 1ust h PRO 67 Cb 0.53 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.65 1ust h PRO 67 CO -0.29 0.00 0.13 0.00 -0.23 0.00 0.00 178.00 177.61 1ust h ALA 68 N 1.88 0.40 -0.38 -0.56 0.00 -1.51 -2.44 119.26 116.65 1ust h ALA 68 Ca 0.08 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1ust h ALA 68 Cb 0.36 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1ust h ALA 68 CO -0.00 -0.01 0.26 -0.07 0.00 0.00 0.00 179.25 179.42 1ust h LEU 69 N 0.36 0.39 -1.16 0.00 4.07 -1.35 -1.56 115.31 116.06 1ust h LEU 69 Ca 0.10 -0.01 0.07 0.00 0.08 0.00 0.00 57.88 58.13 1ust h LEU 69 Cb 0.16 -0.09 -0.06 0.00 1.08 0.00 0.00 40.66 41.75 1ust h LEU 69 CO -0.01 0.28 0.59 0.11 -1.08 0.00 0.00 178.44 178.32 1ust h LYS 70 N 0.46 0.96 0.15 1.13 1.57 -1.29 0.36 116.57 119.91 1ust h LYS 70 Ca 0.15 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1ust h LYS 70 Cb 0.04 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.14 1ust h LYS 70 CO -0.03 0.63 -0.07 -0.22 -0.57 0.00 0.00 179.45 179.19 1ust h LYS 71 N 0.99 -0.20 -0.79 3.15 3.64 -1.24 -1.89 116.57 120.23 1ust h LYS 71 Ca 0.40 0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.93 1ust h LYS 71 Cb 0.26 0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 32.04 1ust h LYS 71 CO -0.16 0.14 0.37 0.35 -2.27 0.00 0.00 179.45 177.88 1ust h PHE 72 N -0.56 0.65 -0.20 1.91 3.57 -0.93 -0.67 116.94 120.70 1ust h PHE 72 Ca -0.02 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 1ust h PHE 72 Cb 0.43 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 1ust h PHE 72 CO 0.04 0.15 0.01 0.82 -2.23 0.00 0.00 178.31 177.10 1ust h ILE 73 N 0.56 1.24 -0.65 1.41 2.04 -0.24 -2.33 117.51 119.54 1ust h ILE 73 Ca 0.42 -0.83 0.00 0.00 1.00 0.00 0.00 64.86 65.46 1ust h ILE 73 Cb 0.59 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 38.03 1ust h ILE 73 CO -0.36 0.25 0.41 0.11 0.00 0.00 0.00 178.15 178.57 1ust h LYS 74 N 0.12 0.87 -0.40 2.37 1.57 -0.52 0.84 116.57 121.42 1ust h LYS 74 Ca 0.06 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 58.68 1ust h LYS 74 Cb 0.37 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 1ust h LYS 74 CO 0.01 0.60 -0.13 0.93 -0.57 0.00 0.00 179.45 180.29 1ust h GLU 75 N 0.88 0.72 0.03 3.15 5.08 -1.11 -2.84 114.58 120.49 1ust h GLU 75 Ca 0.23 -0.24 -0.34 0.00 -1.00 0.00 0.00 59.36 58.01 1ust h GLU 75 Cb -0.06 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.08 1ust h GLU 75 CO -0.05 0.82 -2.05 0.09 -1.00 0.00 0.00 179.01 176.82 1ust n ASN 76 N -4.16 1.11 -3.51 1.42 3.02 -0.88 -4.68 115.26 107.58 1ust n ASN 76 Ca 0.01 0.19 -0.27 0.00 -0.03 0.00 0.00 54.58 54.48 1ust n ASN 76 Cb 0.36 -0.04 -0.10 0.00 -0.61 0.00 0.00 39.78 39.40 1ust n ASN 76 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1ust n TYR 77 N -3.11 1.31 0.31 3.10 4.02 0.29 -4.94 117.16 118.14 1ust n TYR 77 Ca -0.28 -3.82 0.19 0.00 -0.01 0.00 0.00 57.90 53.97 1ust n TYR 77 Cb 1.07 -0.28 0.97 0.00 -0.02 0.00 0.00 39.34 41.08 1ust n TYR 77 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1ust h PRO 78 N 4.94 0.00 0.04 -0.72 0.13 -1.66 0.53 132.00 135.27 1ust h PRO 78 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1ust h PRO 78 Cb 0.81 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.93 1ust h PRO 78 CO 0.58 0.00 -0.09 0.82 -0.23 0.00 0.00 178.00 179.09 1ust h ILE 79 N 0.00 0.00 -0.01 -3.56 5.03 -1.90 -2.16 117.51 114.92 1ust h ILE 79 Ca 0.02 0.00 -0.14 0.00 -0.12 0.00 0.00 64.86 64.62 1ust h ILE 79 Cb 0.39 0.00 -0.02 0.00 -3.03 0.00 0.00 36.82 34.17 1ust h ILE 79 CO -0.00 0.00 -0.67 0.58 -0.68 0.00 0.00 178.15 177.38 1ust h VAL 80 N -0.14 1.47 -0.91 1.67 2.07 -1.78 -3.23 116.25 115.40 1ust h VAL 80 Ca -0.00 -2.25 0.21 0.00 0.82 0.00 0.00 66.70 65.48 1ust h VAL 80 Cb 0.13 2.21 -0.06 0.00 -1.52 0.00 0.00 31.29 32.05 1ust h VAL 80 CO -0.04 0.65 0.60 1.23 0.02 0.00 0.00 177.57 180.04 1ust h GLY 81 N 1.91 0.79 -4.00 2.17 0.00 -0.68 0.75 103.07 104.01 1ust h GLY 81 Ca -0.01 -0.17 -0.60 0.00 0.00 0.00 0.00 47.33 46.56 1ust h GLY 81 CO 0.09 -0.01 -0.36 -1.26 0.00 0.00 0.00 176.54 174.99 1ust n SER 82 N -4.49 5.59 -0.34 0.19 2.88 -0.83 -4.75 113.62 111.87 1ust n SER 82 Ca 0.19 -3.76 0.01 0.00 -1.33 0.00 0.00 58.87 53.98 1ust n SER 82 Cb 0.74 -0.53 0.02 0.00 -0.75 0.00 0.00 64.21 63.69 1ust n SER 82 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ust n ALA 83 N -0.70 2.54 0.00 -1.46 0.00 0.25 -4.91 120.51 116.23 1ust n ALA 83 Ca 0.47 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1ust n ALA 83 Cb 0.81 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.26 1ust n ALA 83 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ust n SER 84 N -0.16 0.00 -2.12 0.00 7.64 -1.26 -3.90 113.62 113.82 1ust n SER 84 Ca 0.01 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.69 1ust n SER 84 Cb 0.17 0.00 0.18 0.00 -1.01 0.00 0.00 64.21 63.55 1ust n SER 84 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1ust n ASN 85 N 1.95 3.77 -0.16 6.43 4.13 -1.26 -4.56 115.26 125.55 1ust n ASN 85 Ca 0.00 -3.45 -0.04 0.00 1.68 0.00 0.00 54.58 52.77 1ust n ASN 85 Cb 0.00 -0.81 0.05 0.00 -1.54 0.00 0.00 39.78 37.49 1ust n ASN 85 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 1ust h PHE 86 N 1.04 0.40 -0.68 3.10 3.57 -1.84 0.11 116.94 122.64 1ust h PHE 86 Ca 0.56 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 62.06 1ust h PHE 86 Cb 2.69 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 41.30 1ust h PHE 86 CO 1.45 0.17 0.34 0.38 -2.23 0.00 0.00 178.31 178.42 1ust h ASP 87 N 0.43 0.88 -0.07 0.41 2.03 -1.93 0.32 116.42 118.48 1ust h ASP 87 Ca 0.23 -0.13 -0.02 0.00 -0.73 0.00 0.00 57.03 56.38 1ust h ASP 87 Cb 0.18 -0.23 -0.00 0.00 -0.83 0.00 0.00 39.33 38.45 1ust h ASP 87 CO -0.19 0.76 -0.03 0.25 -1.03 0.00 0.00 179.24 179.00 1ust h LEU 88 N 0.94 0.15 -0.85 0.15 7.12 -1.81 -2.19 115.31 118.83 1ust h LEU 88 Ca 0.24 -0.40 -0.01 0.00 0.13 0.00 0.00 57.88 57.84 1ust h LEU 88 Cb 0.10 -0.04 -0.04 0.00 -0.53 0.00 0.00 40.66 40.15 1ust h LEU 88 CO -0.03 0.51 0.50 1.88 -0.13 0.00 0.00 178.44 181.17 1ust h TYR 89 N -0.21 1.13 -0.63 1.25 -1.99 -0.60 -1.91 116.97 114.00 1ust h TYR 89 Ca 0.02 -0.01 0.02 0.00 2.00 0.00 0.00 58.73 60.75 1ust h TYR 89 Cb 0.45 -0.37 -0.04 0.00 2.00 0.00 0.00 36.73 38.78 1ust h TYR 89 CO 0.06 0.76 0.41 0.35 -0.00 0.00 0.00 178.16 179.74 1ust h PHE 90 N 1.17 0.77 -0.58 4.88 3.57 -0.31 0.21 116.94 126.64 1ust h PHE 90 Ca 0.30 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.81 1ust h PHE 90 Cb -0.02 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.43 1ust h PHE 90 CO 0.00 0.46 0.33 -0.91 -2.23 0.00 0.00 178.31 175.97 1ust h ASN 91 N 0.81 0.71 -0.56 0.41 -0.26 -0.83 -0.15 115.58 115.71 1ust h ASN 91 Ca 0.24 -0.08 -0.06 0.00 -0.56 0.00 0.00 56.30 55.84 1ust h ASN 91 Cb -0.04 -0.18 -0.03 0.00 -1.06 0.00 0.00 38.32 37.01 1ust h ASN 91 CO -0.08 0.58 0.11 0.78 -1.06 0.00 0.00 177.43 177.77 1ust h ASN 92 N 0.79 0.90 -0.71 5.81 2.35 -0.87 -1.74 115.58 122.11 1ust h ASN 92 Ca 0.21 -0.19 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 1ust h ASN 92 Cb 0.02 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.12 1ust h ASN 92 CO -0.04 0.89 0.35 0.00 -1.65 0.00 0.00 177.43 176.99 1ust h ALA 93 N 1.22 0.91 -0.11 -0.83 0.00 0.11 0.97 119.26 121.53 1ust h ALA 93 Ca 0.19 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1ust h ALA 93 Cb 0.37 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1ust h ALA 93 CO 0.01 0.46 0.07 0.82 0.00 0.00 0.00 179.25 180.61 1ust h ILE 94 N 0.99 1.02 -0.29 0.00 1.08 -0.69 0.70 117.51 120.31 1ust h ILE 94 Ca 0.24 -0.05 0.03 0.00 -0.39 0.00 0.00 64.86 64.70 1ust h ILE 94 Cb 0.10 0.87 -0.03 0.00 -3.07 0.00 0.00 36.82 34.69 1ust h ILE 94 CO -0.03 0.03 0.09 0.11 -0.69 0.00 0.00 178.15 177.65 1ust h LYS 95 N 0.14 0.21 -0.74 2.37 1.57 -0.92 0.21 116.57 119.42 1ust h LYS 95 Ca 0.04 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.77 1ust h LYS 95 Cb -0.01 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 1ust h LYS 95 CO -0.02 0.14 0.32 -0.22 -0.57 0.00 0.00 179.45 179.10 1ust h LYS 96 N 0.22 1.08 -0.41 3.15 3.11 -0.59 -1.95 116.57 121.19 1ust h LYS 96 Ca 0.13 -0.18 -0.06 0.00 -2.81 0.00 0.00 60.65 57.73 1ust h LYS 96 Cb 0.11 -0.18 -0.02 0.00 -1.00 0.00 0.00 32.23 31.14 1ust h LYS 96 CO -0.14 0.87 0.03 0.78 -2.81 0.00 0.00 179.45 178.18 1ust h GLY 97 N 1.05 0.76 1.52 5.01 0.00 -0.28 -0.47 103.07 110.66 1ust h GLY 97 Ca 0.25 -0.53 -0.13 0.00 0.00 0.00 0.00 47.33 46.91 1ust h GLY 97 CO -0.02 0.49 -0.43 -0.39 0.00 0.00 0.00 176.54 176.19 1ust h VAL 98 N 0.54 1.31 -0.04 4.60 -1.51 -0.81 0.41 116.25 120.74 1ust h VAL 98 Ca 0.12 -1.60 -0.18 0.00 -1.23 0.00 0.00 66.70 63.81 1ust h VAL 98 Cb 0.43 1.60 -0.01 0.00 -2.13 0.00 0.00 31.29 31.18 1ust h VAL 98 CO 0.01 0.50 -0.76 1.05 -1.23 0.00 0.00 177.57 177.14 1ust h GLU 99 N 0.43 0.29 0.00 5.19 4.11 -1.31 -3.05 114.58 120.23 1ust h GLU 99 Ca 0.03 -0.26 0.00 0.00 0.07 0.00 0.00 59.36 59.21 1ust h GLU 99 Cb 0.92 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1ust h GLU 99 CO 0.08 0.92 0.00 0.00 0.07 0.00 0.00 179.01 180.08 1ust h ALA 100 N 1.00 1.00 -0.88 1.06 0.00 -0.93 -3.47 119.26 117.04 1ust h ALA 100 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ust h ALA 100 Cb 1.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1ust h ALA 100 CO 0.12 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.78 1ust n GLY 101 N 0.66 0.85 0.02 0.00 0.00 -0.53 -4.99 105.19 101.20 1ust n GLY 101 Ca 0.03 -0.45 -0.02 0.00 0.00 0.00 0.00 46.02 45.57 1ust n GLY 101 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ust n ASP 102 N 0.66 3.82 -4.54 1.61 2.03 0.13 -4.82 116.55 115.44 1ust n ASP 102 Ca 0.00 -0.02 -0.24 0.00 0.52 0.00 0.00 54.79 55.05 1ust n ASP 102 Cb 0.36 0.08 -0.09 0.00 -0.72 0.00 0.00 41.12 40.74 1ust n ASP 102 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1ust s PHE 103 N -2.08 2.42 -0.05 -0.67 0.08 -0.76 -2.56 117.98 114.37 1ust s PHE 103 Ca -0.04 -0.36 -0.02 0.00 0.12 0.00 0.00 56.93 56.63 1ust s PHE 103 Cb 0.01 -1.17 0.03 0.00 -0.57 0.00 0.00 43.02 41.32 1ust s PHE 103 CO 0.10 0.64 0.10 -1.83 -0.10 0.00 0.00 175.22 174.12 1ust s GLU 104 N -3.59 0.04 -0.36 0.44 -1.05 -0.37 -3.73 118.70 110.08 1ust s GLU 104 Ca 0.31 0.28 -0.09 0.00 -0.15 0.00 0.00 54.97 55.32 1ust s GLU 104 Cb -0.03 -0.19 0.03 0.00 -0.44 0.00 0.00 34.13 33.50 1ust s GLU 104 CO 0.17 -0.16 0.16 -0.65 0.95 0.00 0.00 175.26 175.74 1ust s GLN 105 N 1.05 2.78 0.17 -4.83 -0.21 -1.26 -0.18 119.66 117.18 1ust s GLN 105 Ca -0.08 -1.10 -0.05 0.00 0.02 0.00 0.00 55.36 54.15 1ust s GLN 105 Cb -0.11 -3.62 0.06 0.00 1.00 0.00 0.00 33.01 30.34 1ust s GLN 105 CO -0.04 -0.67 1.48 -1.35 -2.12 0.00 0.00 175.29 172.58 1ust h PRO 106 N 8.35 0.62 0.02 2.91 0.11 -1.91 -3.36 132.00 138.74 1ust h PRO 106 Ca -0.25 -0.40 -0.18 0.00 0.11 0.00 0.00 66.00 65.28 1ust h PRO 106 Cb 1.10 0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 1ust h PRO 106 CO 0.64 1.02 -0.97 0.87 -0.21 0.00 0.00 178.00 179.35 1ust h LYS 107 N 0.48 0.04 0.00 1.05 1.57 -1.94 -3.44 116.57 114.33 1ust h LYS 107 Ca 0.01 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1ust h LYS 107 Cb 1.12 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.46 1ust h LYS 107 CO 0.11 1.03 0.00 0.41 -0.57 0.00 0.00 179.45 180.43 1ust n GLY 108 N 1.54 0.76 0.29 3.86 0.00 -1.26 -4.98 105.19 105.40 1ust n GLY 108 Ca -0.25 -0.94 0.02 0.00 0.00 0.00 0.00 46.02 44.85 1ust n GLY 108 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ust h PRO 109 N 0.00 0.51 -1.30 1.61 0.13 -1.93 -2.53 132.00 128.48 1ust h PRO 109 Ca 0.00 -0.06 -0.68 0.00 -0.87 0.00 0.00 66.00 64.39 1ust h PRO 109 Cb 0.00 -0.10 -0.31 0.00 0.13 0.00 0.00 31.00 30.72 1ust h PRO 109 CO 0.00 0.42 0.56 0.00 -0.23 0.00 0.00 178.00 178.75 1ust n ALA 110 N -2.48 6.11 -2.86 -0.56 0.00 -1.26 -4.95 120.51 114.51 1ust n ALA 110 Ca 0.02 -3.78 0.00 0.00 0.00 0.00 0.00 53.44 49.68 1ust n ALA 110 Cb 0.14 -1.54 0.00 0.00 0.00 0.00 0.00 19.45 18.05 1ust n ALA 110 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ust n GLY 111 N -0.74 5.08 3.75 0.00 0.00 -0.95 -4.99 105.19 107.33 1ust n GLY 111 Ca 0.56 -0.83 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 1ust n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ust s ALA 112 N -1.75 3.40 0.23 4.61 0.00 -1.26 -2.40 121.76 124.59 1ust s ALA 112 Ca 0.00 0.87 0.07 0.00 0.00 0.00 0.00 51.96 52.90 1ust s ALA 112 Cb 0.00 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 1ust s ALA 112 CO 0.00 -0.20 0.11 0.08 0.00 0.00 0.00 175.76 175.75 1ust s VAL 113 N -0.69 4.11 0.00 0.00 1.01 0.11 -3.69 120.40 121.25 1ust s VAL 113 Ca 0.47 -1.50 0.00 0.00 0.00 0.00 0.00 61.98 60.96 1ust s VAL 113 Cb -0.31 -3.18 -0.00 0.00 0.00 0.00 0.00 36.38 32.89 1ust s VAL 113 CO 0.38 -0.30 -0.01 -0.75 0.00 0.00 0.00 175.10 174.43 1ust s LYS 114 N -3.60 0.05 -0.06 2.72 2.47 0.75 -0.56 119.74 121.51 1ust s LYS 114 Ca 0.32 -0.07 -0.33 0.00 -1.56 0.00 0.00 55.97 54.33 1ust s LYS 114 Cb -0.08 -0.01 -0.11 0.00 -1.46 0.00 0.00 37.83 36.17 1ust s LYS 114 CO 0.23 0.00 1.92 -0.11 0.16 0.00 0.00 175.35 177.55 1ust n LEU 115 N 2.94 3.63 -4.73 5.43 -0.00 -1.26 -1.24 117.00 121.76 1ust n LEU 115 Ca -0.13 0.94 -0.41 0.00 -0.00 0.00 0.00 56.01 56.40 1ust n LEU 115 Cb 0.59 -1.41 -0.04 0.00 -0.00 0.00 0.00 43.42 42.56 1ust n LEU 115 CO 0.25 0.00 0.76 0.00 -0.00 0.00 0.00 177.39 178.41 1ust s ALA 116 N 4.29 3.32 -0.01 1.96 0.00 -1.06 -4.78 121.76 125.48 1ust s ALA 116 Ca 0.92 0.73 -0.30 0.00 0.00 0.00 0.00 51.96 53.31 1ust s ALA 116 Cb -0.62 -3.34 -0.06 0.00 0.00 0.00 0.00 23.12 19.09 1ust s ALA 116 CO 0.49 -0.19 1.54 0.15 0.00 0.00 0.00 175.76 177.76 1ust s LYS 117 N 0.03 4.22 0.21 0.00 3.01 -1.26 -4.81 119.74 121.14 1ust s LYS 117 Ca 0.50 2.12 -0.04 0.00 -1.01 0.00 0.00 55.97 57.54 1ust s LYS 117 Cb -0.27 -3.74 0.18 0.00 -1.01 0.00 0.00 37.83 32.99 1ust s LYS 117 CO 0.32 -0.72 1.61 -0.22 0.51 0.00 0.00 175.35 176.86 1ust h LYS 118 N 8.57 0.75 -5.27 1.68 1.63 -1.92 -3.31 116.57 118.71 1ust h LYS 118 Ca -0.39 -0.32 -0.71 0.00 -0.85 0.00 0.00 60.65 58.39 1ust h LYS 118 Cb 1.18 -0.03 -0.11 0.00 -0.60 0.00 0.00 32.23 32.67 1ust h LYS 118 CO 0.93 0.93 1.96 1.63 -3.45 0.00 0.00 179.45 181.45 1ust n LYS 119 N -4.10 3.25 -1.15 1.90 4.01 -1.26 -4.73 118.16 116.09 1ust n LYS 119 Ca -0.00 -3.45 0.00 0.00 -0.51 0.00 0.00 58.31 54.35 1ust n LYS 119 Cb 0.45 -3.30 0.00 0.00 -0.51 0.00 0.00 35.03 31.67 1ust n LYS 119 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1ust n SER 120 N 7.11 -4.90 -4.73 4.39 7.64 -1.25 -5.01 113.62 116.87 1ust n SER 120 Ca 0.45 0.57 -0.32 0.00 1.01 0.00 0.00 58.87 60.58 1ust n SER 120 Cb 0.44 -2.67 0.11 0.00 -1.01 0.00 0.00 64.21 61.07 1ust n SER 120 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 1ust s PRO 121 N -2.04 1.94 -0.32 1.43 0.02 -1.24 -4.56 135.00 130.23 1ust s PRO 121 Ca 0.00 1.40 0.16 0.00 0.02 0.00 0.00 61.00 62.59 1ust s PRO 121 Cb 0.00 -1.84 0.44 0.00 0.02 0.00 0.00 34.50 33.12 1ust s PRO 121 CO 0.00 -1.91 1.32 -1.91 -0.33 0.00 0.00 177.00 174.17 1ust n GLU 122 N -3.46 1.44 -3.53 5.54 2.13 -1.26 -4.61 120.64 116.89 1ust n GLU 122 Ca 0.11 -2.23 -0.37 0.00 0.66 0.00 0.00 57.16 55.32 1ust n GLU 122 Cb 0.52 -0.45 -0.06 0.00 0.27 0.00 0.00 31.44 31.72 1ust n GLU 122 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1ust s VAL 123 N -1.45 5.20 -0.95 6.31 0.11 -1.26 -4.53 120.40 123.83 1ust s VAL 123 Ca 0.18 0.68 -0.11 0.00 -2.93 0.00 0.00 61.98 59.80 1ust s VAL 123 Cb 0.40 -3.66 0.02 0.00 -1.53 0.00 0.00 36.38 31.60 1ust s VAL 123 CO -0.08 0.48 0.63 2.29 -3.33 0.00 0.00 175.10 175.09 1ust n LYS 124 N 2.69 -1.12 -0.56 1.54 2.85 -1.26 -4.71 118.16 117.59 1ust n LYS 124 Ca -0.13 0.53 -0.08 0.00 -1.05 0.00 0.00 58.31 57.57 1ust n LYS 124 Cb 0.52 -2.29 -0.08 0.00 -0.65 0.00 0.00 35.03 32.54 1ust n LYS 124 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1ust n LYS 125 N -3.42 1.19 0.16 -1.58 3.00 -1.26 -4.27 118.16 111.97 1ust n LYS 125 Ca -0.26 -0.65 0.02 0.00 -0.00 0.00 0.00 58.31 57.42 1ust n LYS 125 Cb 0.66 -1.85 0.23 0.00 0.00 0.00 0.00 35.03 34.06 1ust n LYS 125 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 1ust h GLU 126 N 4.66 0.00 0.00 1.64 4.11 -1.99 -3.48 114.58 119.52 1ust h GLU 126 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.58 1ust h GLU 126 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1ust h GLU 126 CO 0.50 0.51 0.00 0.36 0.07 0.00 0.00 179.01 180.45 1ust n LYS 127 N -3.62 0.00 -2.03 1.06 2.85 -1.26 -5.12 118.16 110.04 1ust n LYS 127 Ca -0.00 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.83 1ust n LYS 127 Cb 0.58 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.94 1ust n LYS 127 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 1ust s GLU 128 N 4.12 4.21 -0.33 -1.58 2.12 -1.26 -4.83 118.70 121.15 1ust s GLU 128 Ca 0.00 2.19 0.07 0.00 0.36 0.00 0.00 54.97 57.59 1ust s GLU 128 Cb 0.00 -3.74 0.28 0.00 0.26 0.00 0.00 34.13 30.93 1ust s GLU 128 CO 0.00 -0.74 1.25 1.55 -0.54 0.00 0.00 175.26 176.78 1ust n VAL 129 N 4.99 0.00 -1.79 3.70 3.14 -1.26 -5.10 118.33 122.01 1ust n VAL 129 Ca 0.16 -1.06 0.00 0.00 -2.96 0.00 0.00 64.34 60.48 1ust n VAL 129 Cb 0.42 0.85 0.00 0.00 -1.06 0.00 0.00 33.84 34.05 1ust n VAL 129 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17