#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 0.40 -3.53 1.64 0.28 -1.26 -4.61 120.64 113.56 1ust n GLU 40 Ca 0.00 0.00 -0.19 0.00 -0.16 0.00 0.00 57.16 56.81 1ust n GLU 40 Cb 0.00 0.00 0.07 0.00 1.43 0.00 0.00 31.44 32.94 1ust n GLU 40 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1ust n GLU 41 N -0.88 -5.70 0.02 3.44 2.13 -1.26 -4.85 120.64 113.54 1ust n GLU 41 Ca 0.00 0.76 0.05 0.00 0.66 0.00 0.00 57.16 58.63 1ust n GLU 41 Cb 0.00 -5.58 0.23 0.00 0.27 0.00 0.00 31.44 26.37 1ust n GLU 41 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ust n ALA 42 N -4.15 1.41 1.28 4.31 0.00 -1.26 -2.26 120.51 119.84 1ust n ALA 42 Ca -0.28 -0.01 0.03 0.00 0.00 0.00 0.00 53.44 53.18 1ust n ALA 42 Cb 0.67 -1.17 0.18 0.00 0.00 0.00 0.00 19.45 19.13 1ust n ALA 42 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ust n SER 43 N -1.59 0.00 -1.63 0.00 7.64 -1.26 -4.00 113.62 112.78 1ust n SER 43 Ca 0.02 -1.09 -0.02 0.00 1.01 0.00 0.00 58.87 58.79 1ust n SER 43 Cb 0.11 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.28 1ust n SER 43 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ust n SER 44 N -0.65 4.91 -4.73 6.43 7.64 -0.96 -4.80 113.62 121.45 1ust n SER 44 Ca 0.05 -2.32 -0.41 0.00 1.01 0.00 0.00 58.87 57.20 1ust n SER 44 Cb 0.02 -1.09 -0.04 0.00 -1.01 0.00 0.00 64.21 62.09 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 0.34 4.66 -0.22 1.43 -0.14 -1.26 -4.97 119.74 119.58 1ust s LYS 45 Ca 0.11 1.58 -0.29 0.00 -1.36 0.00 0.00 55.97 56.01 1ust s LYS 45 Cb 0.05 -3.32 -0.02 0.00 -1.68 0.00 0.00 37.83 32.86 1ust s LYS 45 CO 0.00 0.17 1.44 -1.12 -0.76 0.00 0.00 175.35 175.07 1ust s SER 46 N -0.12 6.63 0.35 2.83 0.01 -1.26 -4.89 113.70 117.25 1ust s SER 46 Ca 0.48 1.56 0.10 0.00 1.31 0.00 0.00 55.95 59.39 1ust s SER 46 Cb -0.26 -2.54 0.65 0.00 0.21 0.00 0.00 66.02 64.08 1ust s SER 46 CO 0.32 -1.05 1.81 1.88 0.41 0.00 0.00 173.24 176.61 1ust h TYR 47 N 9.57 0.18 -0.81 2.43 -1.99 -1.97 -0.04 116.97 124.33 1ust h TYR 47 Ca -0.30 -0.04 0.04 0.00 2.00 0.00 0.00 58.73 60.43 1ust h TYR 47 Cb 1.13 -0.04 -0.05 0.00 2.00 0.00 0.00 36.73 39.76 1ust h TYR 47 CO 0.87 0.45 0.51 -0.09 -0.00 0.00 0.00 178.16 179.91 1ust h ARG 48 N 0.14 0.96 0.23 4.88 2.43 -1.98 0.33 114.38 121.36 1ust h ARG 48 Ca 0.02 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 1ust h ARG 48 Cb 0.62 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1ust h ARG 48 CO 0.04 0.63 -0.11 1.49 -1.51 0.00 0.00 179.97 180.52 1ust h GLU 49 N 0.98 -0.29 -0.07 0.20 4.57 -1.76 -1.38 114.58 116.83 1ust h GLU 49 Ca 0.33 0.02 0.04 0.00 -1.18 0.00 0.00 59.36 58.57 1ust h GLU 49 Cb 0.06 0.07 -0.05 0.00 -0.16 0.00 0.00 28.75 28.66 1ust h GLU 49 CO -0.13 0.07 -0.23 -0.07 -1.18 0.00 0.00 179.01 177.47 1ust h LEU 50 N -0.74 -0.70 0.05 1.64 4.07 -0.73 0.22 115.31 119.11 1ust h LEU 50 Ca -0.03 0.11 -0.00 0.00 0.08 0.00 0.00 57.88 58.03 1ust h LEU 50 Cb 0.50 0.30 0.00 0.00 1.08 0.00 0.00 40.66 42.54 1ust h LEU 50 CO 0.05 -0.29 -0.02 0.40 -1.08 0.00 0.00 178.44 177.50 1ust h ILE 51 N -0.33 1.15 -0.64 1.22 2.04 -0.43 -2.62 117.51 117.90 1ust h ILE 51 Ca 0.08 -0.63 -0.02 0.00 1.00 0.00 0.00 64.86 65.29 1ust h ILE 51 Cb 0.44 1.56 -0.03 0.00 -0.74 0.00 0.00 36.82 38.06 1ust h ILE 51 CO -0.26 0.16 0.31 0.40 0.00 0.00 0.00 178.15 178.76 1ust h ILE 52 N -0.34 1.22 -0.95 -0.67 2.04 -1.12 0.97 117.51 118.66 1ust h ILE 52 Ca -0.01 -0.61 0.11 0.00 1.00 0.00 0.00 64.86 65.36 1ust h ILE 52 Cb 0.31 0.45 -0.08 0.00 -0.74 0.00 0.00 36.82 36.75 1ust h ILE 52 CO 0.01 0.25 0.58 -0.33 0.00 0.00 0.00 178.15 178.66 1ust h GLU 53 N 0.87 0.91 0.22 2.37 4.39 -0.57 0.16 114.58 122.94 1ust h GLU 53 Ca 0.22 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.85 1ust h GLU 53 Cb 0.11 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.56 1ust h GLU 53 CO -0.03 0.60 -0.11 0.78 -1.16 0.00 0.00 179.01 179.10 1ust h GLY 54 N 0.94 -0.31 -0.46 -3.84 0.00 -1.01 -3.20 103.07 95.19 1ust h GLY 54 Ca 0.47 0.12 0.32 0.00 0.00 0.00 0.00 47.33 48.23 1ust h GLY 54 CO -0.26 -0.11 0.67 -2.00 0.00 0.00 0.00 176.54 174.83 1ust h LEU 55 N -1.07 0.46 -0.68 3.11 5.85 0.13 1.01 115.31 124.12 1ust h LEU 55 Ca -0.03 0.14 -0.14 0.00 0.84 0.00 0.00 57.88 58.68 1ust h LEU 55 Cb 0.28 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1ust h LEU 55 CO 0.05 -0.04 -0.61 0.00 -0.34 0.00 0.00 178.44 177.50 1ust h THR 56 N 0.34 1.40 0.15 1.05 1.03 -0.82 -3.03 112.91 113.02 1ust h THR 56 Ca 0.69 -2.03 -0.33 0.00 -0.01 0.00 0.00 66.41 64.74 1ust h THR 56 Cb 1.74 2.05 -0.00 0.00 -1.07 0.00 0.00 68.15 70.86 1ust h THR 56 CO -0.44 0.59 -1.70 0.00 -0.01 0.00 0.00 175.52 173.96 1ust h ALA 57 N 1.24 0.23 -0.37 0.00 0.00 0.84 -3.39 119.26 117.81 1ust h ALA 57 Ca -0.01 -1.19 -0.00 0.00 0.00 0.00 0.00 54.91 53.71 1ust h ALA 57 Cb 1.11 0.54 -0.00 0.00 0.00 0.00 0.00 17.79 19.43 1ust h ALA 57 CO 0.09 1.02 0.00 1.47 0.00 0.00 0.00 179.25 181.84 1ust n LEU 58 N -3.69 4.52 0.24 0.00 -0.00 0.11 -4.50 117.00 113.67 1ust n LEU 58 Ca -0.27 -3.00 0.09 0.00 -0.00 0.00 0.00 56.01 52.83 1ust n LEU 58 Cb 1.00 -0.60 0.58 0.00 -0.00 0.00 0.00 43.42 44.41 1ust n LEU 58 CO 0.45 0.67 0.88 0.07 -0.00 0.00 0.00 177.39 179.46 1ust h LYS 59 N 2.52 0.00 0.00 1.47 -0.00 -1.73 -3.40 116.57 115.42 1ust h LYS 59 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.65 1ust h LYS 59 Cb 1.64 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.87 1ust h LYS 59 CO 0.32 0.20 0.00 0.39 -0.00 0.00 0.00 179.45 180.36 1ust n GLU 60 N -3.74 0.00 0.00 0.07 -0.58 -1.26 -2.19 120.64 112.94 1ust n GLU 60 Ca -0.02 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.72 1ust n GLU 60 Cb 0.31 -0.12 0.00 0.00 -0.57 0.00 0.00 31.44 31.07 1ust n GLU 60 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 1ust n ARG 61 N 0.00 0.00 -0.46 3.49 0.63 -1.26 -5.01 116.66 114.05 1ust n ARG 61 Ca 0.00 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 56.92 1ust n ARG 61 Cb 0.00 -0.08 -0.01 0.00 0.45 0.00 0.00 32.46 32.82 1ust n ARG 61 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48 1ust n LYS 62 N -2.11 0.00 0.00 -0.14 2.85 -1.15 -5.14 118.16 112.47 1ust n LYS 62 Ca 0.00 -0.18 0.00 0.00 -1.05 0.00 0.00 58.31 57.08 1ust n LYS 62 Cb 0.00 0.33 0.00 0.00 -0.65 0.00 0.00 35.03 34.71 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 1.86 3.18 2.58 0.00 -0.93 -4.60 105.19 107.29 1ust n GLY 63 Ca -0.05 0.16 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 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 2.13 0.31 1.61 1.04 0.19 -4.62 113.70 114.35 1ust s SER 64 Ca 0.00 -0.37 -0.29 0.00 0.48 0.00 0.00 55.95 55.77 1ust s SER 64 Cb 0.00 -0.22 -0.11 0.00 0.10 0.00 0.00 66.02 65.79 1ust s SER 64 CO 0.00 0.20 1.49 -0.44 0.98 0.00 0.00 173.24 175.46 1ust s SER 65 N -0.60 6.49 0.16 7.02 0.01 -1.26 -0.18 113.70 125.34 1ust s SER 65 Ca 0.07 2.87 -0.17 0.00 1.31 0.00 0.00 55.95 60.03 1ust s SER 65 Cb -0.07 -2.64 0.08 0.00 0.21 0.00 0.00 66.02 63.59 1ust s SER 65 CO -0.00 -0.80 1.69 0.03 0.41 0.00 0.00 173.24 174.57 1ust h ARG 66 N 4.19 0.06 -0.64 12.44 3.08 -1.94 -1.43 114.38 130.15 1ust h ARG 66 Ca -0.48 -0.00 0.10 0.00 0.07 0.00 0.00 59.98 59.66 1ust h ARG 66 Cb 1.23 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 31.22 1ust h ARG 66 CO 0.73 0.04 0.42 -1.00 -1.07 0.00 0.00 179.97 179.09 1ust h PRO 67 N 0.06 0.47 -0.43 0.04 0.13 -1.95 -1.81 132.00 128.52 1ust h PRO 67 Ca 0.17 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.26 1ust h PRO 67 Cb 0.25 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 31.26 1ust h PRO 67 CO -0.32 0.31 0.21 0.00 -0.23 0.00 0.00 178.00 177.97 1ust h ALA 68 N 1.68 0.55 -0.93 -0.56 0.00 -1.64 -1.88 119.26 116.48 1ust h ALA 68 Ca 0.29 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1ust h ALA 68 Cb 0.51 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 1ust h ALA 68 CO -0.09 0.11 0.58 -0.07 0.00 0.00 0.00 179.25 179.78 1ust h LEU 69 N 0.55 1.10 -1.35 0.00 4.07 -1.02 -0.30 115.31 118.37 1ust h LEU 69 Ca 0.15 -0.06 -0.01 0.00 0.08 0.00 0.00 57.88 58.04 1ust h LEU 69 Cb 0.11 -0.28 -0.03 0.00 1.08 0.00 0.00 40.66 41.54 1ust h LEU 69 CO -0.02 0.83 0.29 0.11 -1.08 0.00 0.00 178.44 178.57 1ust h LYS 70 N 1.27 0.74 0.02 1.13 1.57 -1.03 0.12 116.57 120.39 1ust h LYS 70 Ca 0.34 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1ust h LYS 70 Cb -0.09 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.07 1ust h LYS 70 CO -0.07 0.55 -0.01 -0.22 -0.57 0.00 0.00 179.45 179.13 1ust h LYS 71 N 0.74 -0.03 -0.76 3.15 3.64 -0.55 -1.65 116.57 121.12 1ust h LYS 71 Ca 0.19 0.00 0.13 0.00 -1.27 0.00 0.00 60.65 59.71 1ust h LYS 71 Cb 0.03 0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 31.76 1ust h LYS 71 CO -0.03 0.23 0.33 0.35 -2.27 0.00 0.00 179.45 178.06 1ust h PHE 72 N -0.28 0.57 -0.49 1.91 3.57 -0.24 0.12 116.94 122.10 1ust h PHE 72 Ca -0.00 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.47 1ust h PHE 72 Cb 0.27 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 1ust h PHE 72 CO 0.01 0.11 0.08 0.82 -2.23 0.00 0.00 178.31 177.10 1ust h ILE 73 N 0.50 1.25 -0.75 1.41 2.04 -0.62 -2.12 117.51 119.21 1ust h ILE 73 Ca 0.41 -0.93 -0.06 0.00 1.00 0.00 0.00 64.86 65.29 1ust h ILE 73 Cb 0.58 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.53 1ust h ILE 73 CO -0.37 0.33 0.25 0.11 0.00 0.00 0.00 178.15 178.47 1ust h LYS 74 N 0.69 1.16 -0.65 2.37 1.57 -0.20 0.76 116.57 122.26 1ust h LYS 74 Ca 0.15 -0.24 -0.04 0.00 -1.87 0.00 0.00 60.65 58.65 1ust h LYS 74 Cb 0.39 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.50 1ust h LYS 74 CO 0.01 0.97 0.24 0.93 -0.57 0.00 0.00 179.45 181.03 1ust h GLU 75 N 1.11 0.98 0.05 3.15 4.39 -0.60 -3.20 114.58 120.47 1ust h GLU 75 Ca 0.24 -0.19 -0.36 0.00 0.34 0.00 0.00 59.36 59.40 1ust h GLU 75 Cb 0.29 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 28.74 1ust h GLU 75 CO -0.01 0.83 -2.06 0.09 -1.16 0.00 0.00 179.01 176.70 1ust n ASN 76 N -4.40 2.01 -3.90 1.42 3.02 -0.82 -4.74 115.26 107.86 1ust n ASN 76 Ca 0.04 0.18 -0.28 0.00 -0.03 0.00 0.00 54.58 54.49 1ust n ASN 76 Cb 0.18 -0.76 -0.12 0.00 -0.61 0.00 0.00 39.78 38.47 1ust n ASN 76 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1ust s TYR 77 N -2.50 3.48 0.58 3.10 1.51 0.26 -4.93 117.35 118.85 1ust s TYR 77 Ca -0.29 -3.30 0.34 0.00 -1.01 0.00 0.00 57.07 52.80 1ust s TYR 77 Cb 0.08 -2.69 1.95 0.00 -0.11 0.00 0.00 41.96 41.19 1ust s TYR 77 CO 0.65 -0.58 2.26 -1.00 -1.11 0.00 0.00 175.55 175.77 1ust h PRO 78 N 5.55 0.00 0.26 -1.71 0.13 -1.70 0.13 132.00 134.67 1ust h PRO 78 Ca 0.12 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1ust h PRO 78 Cb 0.77 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.88 1ust h PRO 78 CO 0.71 0.02 -0.36 0.82 -0.23 0.00 0.00 178.00 178.96 1ust h ILE 79 N 0.00 0.00 0.03 -3.56 5.03 -1.91 0.29 117.51 117.39 1ust h ILE 79 Ca -0.00 0.00 -0.22 0.00 -0.12 0.00 0.00 64.86 64.52 1ust h ILE 79 Cb 0.06 0.00 -0.01 0.00 -3.03 0.00 0.00 36.82 33.85 1ust h ILE 79 CO 0.00 0.00 -0.97 0.58 -0.68 0.00 0.00 178.15 177.08 1ust h VAL 80 N -0.64 1.51 -0.91 1.67 2.07 -1.84 -3.17 116.25 114.95 1ust h VAL 80 Ca -0.03 -2.77 0.14 0.00 0.82 0.00 0.00 66.70 64.85 1ust h VAL 80 Cb 0.58 2.59 -0.09 0.00 -1.52 0.00 0.00 31.29 32.85 1ust h VAL 80 CO -0.10 0.81 0.52 1.23 0.02 0.00 0.00 177.57 180.05 1ust h GLY 81 N 1.85 1.49 -3.36 2.17 0.00 -0.52 0.29 103.07 104.99 1ust h GLY 81 Ca -0.06 -0.32 -0.42 0.00 0.00 0.00 0.00 47.33 46.53 1ust h GLY 81 CO 0.15 0.04 0.40 1.44 0.00 0.00 0.00 176.54 178.57 1ust n SER 82 N -4.77 3.52 -2.07 0.19 7.64 0.07 -4.76 113.62 113.45 1ust n SER 82 Ca 0.18 -3.68 -0.15 0.00 1.01 0.00 0.00 58.87 56.23 1ust n SER 82 Cb 0.41 -0.77 -0.12 0.00 -1.01 0.00 0.00 64.21 62.71 1ust n SER 82 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ust n ALA 83 N -1.13 6.16 -0.79 -0.43 0.00 0.09 -4.93 120.51 119.48 1ust n ALA 83 Ca 0.51 -1.95 0.00 0.00 0.00 0.00 0.00 53.44 52.01 1ust n ALA 83 Cb 1.41 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 18.72 1ust n ALA 83 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ust n SER 84 N 1.98 0.00 -1.53 0.00 2.88 -1.26 -2.41 113.62 113.29 1ust n SER 84 Ca 0.40 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.92 1ust n SER 84 Cb 0.79 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.26 1ust n SER 84 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1ust n ASN 85 N 8.09 5.39 -0.37 -3.46 3.02 -1.26 -4.29 115.26 122.38 1ust n ASN 85 Ca 0.00 -2.47 0.00 0.00 -0.03 0.00 0.00 54.58 52.08 1ust n ASN 85 Cb 0.00 -1.10 0.14 0.00 -0.61 0.00 0.00 39.78 38.21 1ust n ASN 85 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1ust h PHE 86 N 1.02 1.22 -0.55 3.10 3.57 -1.76 -1.81 116.94 121.73 1ust h PHE 86 Ca 0.03 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.59 1ust h PHE 86 Cb 0.99 -0.41 -0.04 0.00 2.79 0.00 0.00 35.95 39.29 1ust h PHE 86 CO 0.29 0.70 0.32 -0.44 -2.23 0.00 0.00 178.31 176.94 1ust h ASP 87 N 1.25 0.50 -0.44 0.41 5.19 -1.90 0.27 116.42 121.70 1ust h ASP 87 Ca 0.40 0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.80 1ust h ASP 87 Cb 0.01 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 39.41 1ust h ASP 87 CO -0.13 0.35 0.21 0.25 -3.12 0.00 0.00 179.24 176.80 1ust h LEU 88 N 0.62 0.57 -0.60 1.55 7.12 -1.75 -0.49 115.31 122.34 1ust h LEU 88 Ca 0.23 -0.13 -0.02 0.00 0.13 0.00 0.00 57.88 58.10 1ust h LEU 88 Cb 0.06 -0.15 -0.03 0.00 -0.53 0.00 0.00 40.66 40.02 1ust h LEU 88 CO -0.12 0.54 0.31 1.88 -0.13 0.00 0.00 178.44 180.92 1ust h TYR 89 N 0.56 0.83 0.03 1.25 -1.99 -0.68 -2.12 116.97 114.86 1ust h TYR 89 Ca 0.15 -0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.85 1ust h TYR 89 Cb 0.11 -0.26 0.00 0.00 2.00 0.00 0.00 36.73 38.58 1ust h TYR 89 CO -0.01 0.62 -0.02 0.35 -0.00 0.00 0.00 178.16 179.10 1ust h PHE 90 N 0.81 -0.04 -0.69 4.88 3.57 -0.12 -1.31 116.94 124.04 1ust h PHE 90 Ca 0.21 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.73 1ust h PHE 90 Cb 0.07 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.79 1ust h PHE 90 CO -0.01 -0.00 0.44 -0.91 -2.23 0.00 0.00 178.31 175.60 1ust h ASN 91 N -0.07 0.74 -0.68 0.41 2.35 -0.88 -0.12 115.58 117.34 1ust h ASN 91 Ca -0.00 -0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.67 1ust h ASN 91 Cb 0.06 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.23 1ust h ASN 91 CO 0.01 0.53 0.18 0.78 -1.65 0.00 0.00 177.43 177.27 1ust h ASN 92 N 0.88 1.01 -0.90 5.81 2.35 -1.31 -1.70 115.58 121.73 1ust h ASN 92 Ca 0.26 -0.23 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1ust h ASN 92 Cb -0.04 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.02 1ust h ASN 92 CO -0.08 0.97 0.56 0.00 -1.65 0.00 0.00 177.43 177.23 1ust h ALA 93 N 1.08 1.14 -0.10 -0.83 0.00 -0.49 0.14 119.26 120.20 1ust h ALA 93 Ca 0.21 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1ust h ALA 93 Cb 0.35 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1ust h ALA 93 CO -0.00 0.58 0.04 0.82 0.00 0.00 0.00 179.25 180.69 1ust h ILE 94 N 1.23 1.14 -0.14 0.00 1.08 -0.72 0.19 117.51 120.28 1ust h ILE 94 Ca 0.32 -0.42 0.02 0.00 -0.39 0.00 0.00 64.86 64.39 1ust h ILE 94 Cb -0.08 1.25 -0.02 0.00 -3.07 0.00 0.00 36.82 34.90 1ust h ILE 94 CO -0.06 0.12 0.04 0.11 -0.69 0.00 0.00 178.15 177.67 1ust h LYS 95 N -0.00 0.10 -0.58 2.37 1.57 -0.88 -1.50 116.57 117.65 1ust h LYS 95 Ca 0.03 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.70 1ust h LYS 95 Cb 0.16 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 1ust h LYS 95 CO -0.00 0.07 -0.04 -0.22 -0.57 0.00 0.00 179.45 178.69 1ust h LYS 96 N 0.10 1.05 -0.33 3.15 1.63 -0.66 -3.19 116.57 118.32 1ust h LYS 96 Ca 0.06 -0.35 -0.08 0.00 -0.85 0.00 0.00 60.65 59.44 1ust h LYS 96 Cb 0.05 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.58 1ust h LYS 96 CO -0.08 1.04 -0.10 0.78 -3.45 0.00 0.00 179.45 177.65 1ust h GLY 97 N 0.98 0.71 1.16 5.01 0.00 -0.35 -2.03 103.07 108.55 1ust h GLY 97 Ca 0.16 -0.60 -0.07 0.00 0.00 0.00 0.00 47.33 46.82 1ust h GLY 97 CO 0.04 0.55 0.12 -0.39 0.00 0.00 0.00 176.54 176.85 1ust h VAL 98 N 0.43 1.26 -0.22 4.60 -1.51 -1.31 0.41 116.25 119.90 1ust h VAL 98 Ca 0.08 -0.98 -0.18 0.00 -1.23 0.00 0.00 66.70 64.39 1ust h VAL 98 Cb 0.61 0.63 0.00 0.00 -2.13 0.00 0.00 31.29 30.40 1ust h VAL 98 CO 0.04 0.37 -0.56 1.05 -1.23 0.00 0.00 177.57 177.23 1ust h GLU 99 N 0.98 0.78 -0.40 5.19 4.11 -1.59 -3.28 114.58 120.36 1ust h GLU 99 Ca 0.20 -0.54 -0.09 0.00 0.07 0.00 0.00 59.36 59.00 1ust h GLU 99 Cb 0.39 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1ust h GLU 99 CO 0.01 1.16 -0.09 0.00 0.07 0.00 0.00 179.01 180.15 1ust h ALA 100 N 0.61 0.56 0.00 1.06 0.00 -1.18 -3.47 119.26 116.84 1ust h ALA 100 Ca -0.01 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1ust h ALA 100 Cb 1.18 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1ust h ALA 100 CO 0.12 0.42 0.00 0.41 0.00 0.00 0.00 179.25 180.21 1ust n GLY 101 N -0.20 0.99 0.04 0.00 0.00 0.03 -4.96 105.19 101.08 1ust n GLY 101 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 3.40 -4.30 1.61 2.03 0.12 -4.38 116.55 115.03 1ust n ASP 102 Ca 0.00 -0.03 -0.16 0.00 0.52 0.00 0.00 54.79 55.11 1ust n ASP 102 Cb 0.00 0.04 -0.10 0.00 -0.72 0.00 0.00 41.12 40.34 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 -2.16 1.49 0.04 -0.67 0.08 -1.04 -3.25 117.98 112.48 1ust s PHE 103 Ca -0.09 -0.67 0.06 0.00 0.12 0.00 0.00 56.93 56.35 1ust s PHE 103 Cb 0.03 -0.72 -0.02 0.00 -0.57 0.00 0.00 43.02 41.73 1ust s PHE 103 CO 0.20 0.22 -0.18 -1.21 -0.10 0.00 0.00 175.22 174.15 1ust s GLU 104 N -3.70 1.23 -0.26 0.44 0.41 0.85 -3.71 118.70 113.95 1ust s GLU 104 Ca 0.20 -0.85 0.00 0.00 -0.41 0.00 0.00 54.97 53.91 1ust s GLU 104 Cb 0.01 -1.30 0.08 0.00 -1.78 0.00 0.00 34.13 31.14 1ust s GLU 104 CO 0.04 0.33 0.02 -0.65 -0.49 0.00 0.00 175.26 174.51 1ust s GLN 105 N -1.09 1.18 0.00 1.61 -0.21 -1.26 0.68 119.66 120.57 1ust s GLN 105 Ca 0.05 -1.05 0.00 0.00 0.02 0.00 0.00 55.36 54.39 1ust s GLN 105 Cb -0.08 -2.42 0.00 0.00 1.00 0.00 0.00 33.01 31.51 1ust s GLN 105 CO 0.01 -0.77 1.83 -0.35 -2.12 0.00 0.00 175.29 173.90 1ust n PRO 106 N 4.73 0.93 0.13 2.91 -0.04 -1.23 -3.70 135.00 138.73 1ust n PRO 106 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1ust n PRO 106 Cb 0.44 -1.03 0.00 0.00 -0.04 0.00 0.00 33.50 32.86 1ust n PRO 106 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1ust n LYS 107 N 1.50 0.00 0.00 0.54 5.02 -1.26 -4.93 118.16 119.02 1ust n LYS 107 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1ust n LYS 107 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.48 1ust n LYS 107 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ust n GLY 108 N 0.24 -0.80 0.21 0.72 0.00 -1.24 -4.94 105.19 99.38 1ust n GLY 108 Ca 0.00 -0.25 -0.15 0.00 0.00 0.00 0.00 46.02 45.63 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 0.68 -0.68 1.61 0.13 -1.99 -3.36 132.00 128.39 1ust h PRO 109 Ca 0.00 -0.54 -0.44 0.00 -0.87 0.00 0.00 66.00 64.16 1ust h PRO 109 Cb 0.00 0.11 -0.42 0.00 0.13 0.00 0.00 31.00 30.82 1ust h PRO 109 CO 0.00 1.15 -0.93 0.00 -0.23 0.00 0.00 178.00 177.99 1ust n ALA 110 N -2.57 4.10 -1.88 -0.56 0.00 -1.26 -4.84 120.51 113.50 1ust n ALA 110 Ca -0.06 -3.43 0.00 0.00 0.00 0.00 0.00 53.44 49.95 1ust n ALA 110 Cb 0.72 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 19.62 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 -0.64 1.79 3.79 0.00 0.00 -1.26 -4.96 105.19 103.91 1ust n GLY 111 Ca 0.29 -1.78 -0.38 0.00 0.00 0.00 0.00 46.02 44.15 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 -3.12 3.45 0.15 4.61 0.00 -1.26 -4.21 121.76 121.37 1ust s ALA 112 Ca 0.00 0.28 0.04 0.00 0.00 0.00 0.00 51.96 52.29 1ust s ALA 112 Cb 0.00 -2.89 -0.04 0.00 0.00 0.00 0.00 23.12 20.19 1ust s ALA 112 CO 0.00 0.31 0.16 0.08 0.00 0.00 0.00 175.76 176.31 1ust s VAL 113 N -1.25 4.68 -0.07 0.00 1.01 0.75 -3.47 120.40 122.06 1ust s VAL 113 Ca 0.37 -0.94 -0.12 0.00 0.00 0.00 0.00 61.98 61.29 1ust s VAL 113 Cb -0.21 -3.37 0.02 0.00 0.00 0.00 0.00 36.38 32.82 1ust s VAL 113 CO 0.24 -0.07 0.29 -0.75 0.00 0.00 0.00 175.10 174.82 1ust s LYS 114 N -3.01 0.48 0.19 2.72 2.20 0.21 0.53 119.74 123.06 1ust s LYS 114 Ca 0.31 0.13 -0.33 0.00 -0.36 0.00 0.00 55.97 55.72 1ust s LYS 114 Cb -0.11 0.22 -0.14 0.00 -1.51 0.00 0.00 37.83 36.29 1ust s LYS 114 CO 0.24 -0.10 1.37 1.28 -0.36 0.00 0.00 175.35 177.78 1ust n LEU 115 N 2.18 2.52 -4.72 5.43 7.99 -1.26 -0.11 117.00 129.04 1ust n LEU 115 Ca -0.17 1.13 -0.42 0.00 -0.01 0.00 0.00 56.01 56.54 1ust n LEU 115 Cb 0.57 -1.34 -0.03 0.00 -0.11 0.00 0.00 43.42 42.51 1ust n LEU 115 CO 0.19 -0.72 1.28 0.00 -1.51 0.00 0.00 177.39 176.62 1ust s ALA 116 N 0.17 3.83 0.04 -1.18 0.00 -1.20 -4.69 121.76 118.73 1ust s ALA 116 Ca 0.74 1.46 -0.27 0.00 0.00 0.00 0.00 51.96 53.88 1ust s ALA 116 Cb -0.74 -3.65 -0.17 0.00 0.00 0.00 0.00 23.12 18.56 1ust s ALA 116 CO 0.48 -0.84 1.45 0.87 0.00 0.00 0.00 175.76 177.71 1ust h LYS 117 N 6.58 -0.50 -0.31 0.00 1.79 -1.87 -3.35 116.57 118.91 1ust h LYS 117 Ca -0.43 0.03 -0.25 0.00 -2.18 0.00 0.00 60.65 57.82 1ust h LYS 117 Cb 1.20 0.11 -0.32 0.00 -1.58 0.00 0.00 32.23 31.65 1ust h LYS 117 CO 0.92 -0.24 -0.89 1.63 -1.08 0.00 0.00 179.45 179.78 1ust n LYS 118 N -5.25 1.75 0.00 3.15 4.76 -1.26 -4.99 118.16 116.32 1ust n LYS 118 Ca -0.11 -3.26 0.00 0.00 -2.87 0.00 0.00 58.31 52.07 1ust n LYS 118 Cb 0.26 -1.38 0.00 0.00 -1.84 0.00 0.00 35.03 32.07 1ust n LYS 118 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1ust n LYS 119 N -0.47 0.00 -2.26 1.97 4.01 -1.26 -4.87 118.16 115.29 1ust n LYS 119 Ca 0.19 0.00 -0.36 0.00 -0.51 0.00 0.00 58.31 57.63 1ust n LYS 119 Cb 0.91 0.00 -0.00 0.00 -0.51 0.00 0.00 35.03 35.42 1ust n LYS 119 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 1ust s SER 120 N 0.00 5.88 0.21 4.39 0.01 -1.26 -4.38 113.70 118.55 1ust s SER 120 Ca 0.00 2.23 -0.31 0.00 1.31 0.00 0.00 55.95 59.17 1ust s SER 120 Cb 0.00 -2.59 -0.15 0.00 0.21 0.00 0.00 66.02 63.49 1ust s SER 120 CO 0.00 -1.11 1.17 -0.81 0.41 0.00 0.00 173.24 172.90 1ust n PRO 121 N -1.00 1.37 -2.69 12.44 -0.04 -1.26 -4.54 135.00 139.26 1ust n PRO 121 Ca 0.10 0.49 -0.06 0.00 -0.04 0.00 0.00 63.50 63.98 1ust n PRO 121 Cb 0.50 -1.98 0.11 0.00 -0.04 0.00 0.00 33.50 32.09 1ust n PRO 121 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1ust n GLU 122 N 1.54 1.22 -3.22 0.54 0.00 -1.26 -4.96 120.64 114.51 1ust n GLU 122 Ca 0.13 -1.88 -0.24 0.00 0.00 0.00 0.00 57.16 55.17 1ust n GLU 122 Cb 0.28 -0.10 -0.06 0.00 0.00 0.00 0.00 31.44 31.56 1ust n GLU 122 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1ust n VAL 123 N -0.68 0.42 -1.42 6.31 0.31 -1.26 -4.81 118.33 117.20 1ust n VAL 123 Ca -0.04 -4.54 -0.39 0.00 -0.01 0.00 0.00 64.34 59.36 1ust n VAL 123 Cb 0.85 -1.60 -0.02 0.00 -0.91 0.00 0.00 33.84 32.16 1ust n VAL 123 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1ust n LYS 124 N 0.91 3.72 0.21 5.55 4.01 -1.26 -4.59 118.16 126.71 1ust n LYS 124 Ca 0.25 -2.37 0.15 0.00 -0.51 0.00 0.00 58.31 55.82 1ust n LYS 124 Cb 0.52 -2.83 0.61 0.00 -0.51 0.00 0.00 35.03 32.82 1ust n LYS 124 CO 0.00 0.00 0.00 1.57 -1.11 0.00 0.00 177.40 177.86 1ust h LYS 125 N 5.06 0.00 -2.24 1.97 2.10 -1.99 -3.45 116.57 118.02 1ust h LYS 125 Ca 0.83 0.00 0.05 0.00 -2.00 0.00 0.00 60.65 59.53 1ust h LYS 125 Cb 0.32 0.00 -0.17 0.00 -0.90 0.00 0.00 32.23 31.48 1ust h LYS 125 CO 1.77 0.00 0.40 -1.83 -2.00 0.00 0.00 179.45 177.79 1ust s GLU 126 N -3.52 0.90 0.18 0.07 -1.05 -1.26 -5.03 118.70 108.99 1ust s GLU 126 Ca 0.02 -0.16 -0.12 0.00 -0.15 0.00 0.00 54.97 54.56 1ust s GLU 126 Cb 0.09 0.42 0.09 0.00 -0.44 0.00 0.00 34.13 34.29 1ust s GLU 126 CO 0.46 -0.36 1.78 -0.22 0.95 0.00 0.00 175.26 177.87 1ust h LYS 127 N 2.26 0.88 -1.13 -4.83 3.11 -1.99 -2.38 116.57 112.48 1ust h LYS 127 Ca -0.24 -0.12 -0.17 0.00 -2.81 0.00 0.00 60.65 57.31 1ust h LYS 127 Cb 1.22 -0.16 -0.10 0.00 -1.00 0.00 0.00 32.23 32.19 1ust h LYS 127 CO 0.34 0.69 0.22 -0.85 -2.81 0.00 0.00 179.45 177.03 1ust n GLU 128 N -4.53 1.42 0.06 1.90 0.28 -1.26 -4.10 120.64 114.41 1ust n GLU 128 Ca 0.04 -0.97 -0.10 0.00 -0.16 0.00 0.00 57.16 55.97 1ust n GLU 128 Cb 0.11 -1.38 0.01 0.00 1.43 0.00 0.00 31.44 31.61 1ust n GLU 128 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 177.13 176.73 1ust h VAL 129 N 0.45 1.39 0.00 3.84 3.04 -1.80 -3.53 116.25 119.64 1ust h VAL 129 Ca 0.20 -2.22 0.00 0.00 -1.01 0.00 0.00 66.70 63.67 1ust h VAL 129 Cb 1.47 2.19 0.00 0.00 -2.01 0.00 0.00 31.29 32.93 1ust h VAL 129 CO 0.38 0.67 0.00 -1.54 -1.01 0.00 0.00 177.57 176.07