#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ers s THR 32 N 0.00 2.68 0.26 7.28 -1.32 -1.26 -2.21 115.64 121.06 2ers s THR 32 Ca 0.00 -1.49 0.07 0.00 -1.21 0.00 0.00 61.69 59.06 2ers s THR 32 Cb 0.00 -3.01 -0.03 0.00 -1.51 0.00 0.00 72.50 67.94 2ers s THR 32 CO 0.00 -0.04 0.25 0.00 -2.21 0.00 0.00 174.62 172.62 2ers s PRO 34 N -3.90 0.67 0.14 0.00 0.04 -1.26 -4.97 135.00 125.73 2ers s PRO 34 Ca 0.34 1.29 -0.31 0.00 0.04 0.00 0.00 61.00 62.36 2ers s PRO 34 Cb -0.08 -1.71 -0.10 0.00 0.04 0.00 0.00 34.50 32.65 2ers s PRO 34 CO 0.26 -2.78 1.68 -1.25 0.04 0.00 0.00 177.00 174.95 2ers s PRO 35 N -4.65 4.17 -0.33 0.56 0.04 -1.26 -4.96 135.00 128.57 2ers s PRO 35 Ca 0.66 2.46 -0.29 0.00 0.04 0.00 0.00 61.00 63.88 2ers s PRO 35 Cb -0.22 -3.33 -0.01 0.00 0.04 0.00 0.00 34.50 30.97 2ers s PRO 35 CO 0.59 -0.72 1.65 -1.25 0.04 0.00 0.00 177.00 177.32 2ers s PRO 36 N 1.83 3.48 -0.48 0.56 0.04 -1.26 -4.95 135.00 134.22 2ers s PRO 36 Ca 0.74 1.32 0.03 0.00 0.04 0.00 0.00 61.00 63.14 2ers s PRO 36 Cb -0.45 -4.12 0.16 0.00 0.04 0.00 0.00 34.50 30.13 2ers s PRO 36 CO 0.33 -1.67 0.33 1.41 0.04 0.00 0.00 177.00 177.43 2ers s MET 37 N 5.28 1.32 0.00 4.56 1.75 -1.26 -5.05 119.30 125.90 2ers s MET 37 Ca 0.73 -2.25 0.00 0.00 -1.25 0.00 0.00 55.69 52.92 2ers s MET 37 Cb -0.20 -2.13 0.00 0.00 2.84 0.00 0.00 34.83 35.34 2ers s MET 37 CO 0.33 -1.27 0.00 0.43 -0.65 0.00 0.00 175.02 173.85 2ers n SER 38 N 3.02 3.09 0.00 1.11 7.64 -1.26 -5.08 113.62 122.13 2ers n SER 38 Ca 0.19 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.07 2ers n SER 38 Cb 0.40 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.60 2ers n SER 38 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 2ers n VAL 39 N 0.00 0.00 0.00 0.44 3.14 -1.26 -4.88 118.33 115.77 2ers n VAL 39 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2ers n VAL 39 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 2ers n VAL 39 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2ers n GLU 40 N 0.00 0.00 -1.38 1.45 1.02 -1.26 -4.85 120.64 115.62 2ers n GLU 40 Ca 0.00 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.89 2ers n GLU 40 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.37 2ers n GLU 40 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2ers n HIS 41 N 0.00 1.49 -3.54 -0.32 8.25 -1.26 -4.84 115.22 115.00 2ers n HIS 41 Ca 0.00 -1.92 -0.14 0.00 -0.26 0.00 0.00 57.72 55.40 2ers n HIS 41 Cb 0.00 -1.34 -0.05 0.00 1.12 0.00 0.00 29.99 29.72 2ers n HIS 41 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2ers s ALA 42 N -1.56 -1.83 0.09 -1.41 0.00 -1.26 -1.06 121.76 114.73 2ers s ALA 42 Ca 0.56 1.36 0.04 0.00 0.00 0.00 0.00 51.96 53.92 2ers s ALA 42 Cb 0.36 -0.21 -0.04 0.00 0.00 0.00 0.00 23.12 23.23 2ers s ALA 42 CO -0.18 -0.39 0.04 -0.51 0.00 0.00 0.00 175.76 174.72 2ers s ASP 43 N -1.35 5.24 0.04 0.00 1.01 -0.31 -4.78 116.67 116.52 2ers s ASP 43 Ca -0.05 -0.12 0.02 0.00 0.71 0.00 0.00 52.55 53.11 2ers s ASP 43 Cb -0.00 -1.32 -0.02 0.00 1.01 0.00 0.00 42.92 42.59 2ers s ASP 43 CO 0.04 0.16 -0.08 -0.51 0.21 0.00 0.00 175.17 174.99 2ers s ILE 44 N -1.38 0.53 -0.06 0.77 2.07 -1.26 -0.39 121.20 121.47 2ers s ILE 44 Ca 0.27 -1.02 0.02 0.00 -1.41 0.00 0.00 60.65 58.51 2ers s ILE 44 Cb -0.12 -0.59 0.02 0.00 0.13 0.00 0.00 42.46 41.90 2ers s ILE 44 CO 0.20 -0.35 -0.09 0.86 -1.91 0.00 0.00 174.94 173.65 2ers s TRP 45 N -1.29 1.21 -0.28 3.50 -0.11 -1.26 -5.06 118.94 115.65 2ers s TRP 45 Ca -0.09 -0.44 0.00 0.00 1.22 0.00 0.00 56.10 56.80 2ers s TRP 45 Cb -0.09 -0.94 0.16 0.00 -1.50 0.00 0.00 33.47 31.09 2ers s TRP 45 CO 0.00 -0.26 0.43 0.54 -4.62 0.00 0.00 176.95 173.03 2ers s VAL 46 N 0.83 -0.68 0.28 5.86 0.11 -1.26 -5.06 120.40 120.48 2ers s VAL 46 Ca -0.12 -0.18 0.04 0.00 -2.93 0.00 0.00 61.98 58.79 2ers s VAL 46 Cb -0.15 -0.93 0.03 0.00 -1.53 0.00 0.00 36.38 33.79 2ers s VAL 46 CO 0.02 -0.19 1.67 0.07 -3.33 0.00 0.00 175.10 173.34 2ers h LYS 47 N 8.14 0.33 0.00 1.54 2.10 -2.06 -3.35 116.57 123.27 2ers h LYS 47 Ca -0.13 -0.16 0.00 0.00 -2.00 0.00 0.00 60.65 58.36 2ers h LYS 47 Cb 1.14 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.47 2ers h LYS 47 CO 0.26 0.68 0.00 -1.13 -2.00 0.00 0.00 179.45 177.26 2ers n SER 48 N -4.03 0.74 -0.20 7.07 3.41 -1.26 -5.15 113.62 114.20 2ers n SER 48 Ca -0.01 -1.25 0.00 0.00 -0.26 0.00 0.00 58.87 57.34 2ers n SER 48 Cb 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 2ers n SER 48 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2ers n TYR 49 N -0.13 -0.96 0.00 7.33 4.01 -1.26 -4.76 117.16 121.40 2ers n TYR 49 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2ers n TYR 49 Cb 0.26 0.08 0.00 0.00 -0.31 0.00 0.00 39.34 39.37 2ers n TYR 49 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2ers n SER 50 N -3.70 0.00 -4.73 7.72 2.88 -1.26 -4.92 113.62 109.60 2ers n SER 50 Ca 0.00 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.12 2ers n SER 50 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 2ers n SER 50 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 2ers s LEU 51 N 0.00 4.36 -1.34 2.46 1.98 -0.94 -3.29 118.68 121.92 2ers s LEU 51 Ca 0.00 2.81 -0.02 0.00 -2.89 0.00 0.00 54.13 54.03 2ers s LEU 51 Cb 0.00 -3.61 0.01 0.00 0.66 0.00 0.00 46.19 43.25 2ers s LEU 51 CO 0.00 -0.89 0.75 -1.22 -1.89 0.00 0.00 176.35 173.10 2ers n TYR 52 N 3.27 -1.99 -4.80 5.38 4.01 -0.74 -5.01 117.16 117.28 2ers n TYR 52 Ca 0.12 0.85 -0.33 0.00 -0.16 0.00 0.00 57.90 58.39 2ers n TYR 52 Cb 0.37 -4.35 -0.13 0.00 -0.31 0.00 0.00 39.34 34.92 2ers n TYR 52 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2ers s SER 53 N -4.19 4.15 -0.13 7.72 0.15 -1.21 -4.89 113.70 115.31 2ers s SER 53 Ca 0.11 -0.20 -0.10 0.00 0.70 0.00 0.00 55.95 56.47 2ers s SER 53 Cb -0.06 -1.13 -0.05 0.00 -1.71 0.00 0.00 66.02 63.08 2ers s SER 53 CO 0.81 0.29 0.19 -0.13 1.20 0.00 0.00 173.24 175.61 2ers s ARG 54 N -0.41 3.76 -0.00 5.44 0.52 -1.26 -0.76 118.95 126.23 2ers s ARG 54 Ca 0.05 -0.05 0.01 0.00 -0.52 0.00 0.00 55.73 55.22 2ers s ARG 54 Cb -0.12 -3.27 -0.00 0.00 0.52 0.00 0.00 34.95 32.08 2ers s ARG 54 CO 0.02 0.60 -0.03 -1.21 0.02 0.00 0.00 175.30 174.70 2ers s GLU 55 N -0.56 0.29 -0.04 3.54 8.01 0.42 -5.00 118.70 125.35 2ers s GLU 55 Ca 0.15 -0.12 0.01 0.00 0.01 0.00 0.00 54.97 55.02 2ers s GLU 55 Cb -0.13 -0.29 -0.03 0.00 -4.31 0.00 0.00 34.13 29.37 2ers s GLU 55 CO 0.04 0.07 -0.04 -0.98 0.01 0.00 0.00 175.26 174.35 2ers s ARG 56 N -0.03 2.76 0.20 1.61 1.70 -1.26 -0.73 118.95 123.21 2ers s ARG 56 Ca 0.01 -0.57 -0.30 0.00 -0.47 0.00 0.00 55.73 54.40 2ers s ARG 56 Cb -0.02 -2.62 -0.08 0.00 -0.57 0.00 0.00 34.95 31.65 2ers s ARG 56 CO -0.00 0.65 1.18 0.71 -1.08 0.00 0.00 175.30 176.76 2ers s TYR 57 N -0.91 3.44 -2.00 5.89 2.02 -1.20 -4.90 117.35 119.69 2ers s TYR 57 Ca 0.15 1.47 0.06 0.00 -0.37 0.00 0.00 57.07 58.38 2ers s TYR 57 Cb -0.11 -3.41 0.36 0.00 -0.40 0.00 0.00 41.96 38.40 2ers s TYR 57 CO 0.04 -1.11 0.94 -0.89 -1.57 0.00 0.00 175.55 172.97 2ers n ILE 58 N 2.24 0.00 -1.08 2.71 2.08 0.47 -4.91 119.36 120.87 2ers n ILE 58 Ca 0.03 0.00 0.13 0.00 0.56 0.00 0.00 62.75 63.47 2ers n ILE 58 Cb 0.45 -0.31 -0.04 0.00 -0.75 0.00 0.00 39.64 38.98 2ers n ILE 58 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2ers s ASN 60 N -5.59 0.78 -0.87 0.00 3.84 -0.23 -1.16 114.94 111.72 2ers s ASN 60 Ca 0.00 0.76 -0.25 0.00 0.21 0.00 0.00 52.86 53.58 2ers s ASN 60 Cb 0.00 -1.10 -0.08 0.00 -0.55 0.00 0.00 41.25 39.52 2ers s ASN 60 CO 0.00 -4.22 2.11 -0.55 -2.79 0.00 0.00 177.10 171.65 2ers s SER 61 N -3.67 4.69 0.00 -4.21 0.15 -1.26 -1.75 113.70 107.66 2ers s SER 61 Ca 0.70 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.92 2ers s SER 61 Cb -0.12 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.63 2ers s SER 61 CO 0.57 -3.15 0.00 0.61 1.20 0.00 0.00 173.24 172.46 2ers n GLY 62 N 6.83 2.23 3.46 9.45 0.00 -1.26 -5.07 105.19 120.83 2ers n GLY 62 Ca 0.43 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.07 2ers n GLY 62 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2ers n PHE 63 N -0.27 -0.82 -4.33 1.61 3.01 -0.72 -4.78 117.46 111.16 2ers n PHE 63 Ca 0.00 0.41 -0.29 0.00 1.01 0.00 0.00 57.45 58.58 2ers n PHE 63 Cb 0.00 -1.93 -0.11 0.00 -0.01 0.00 0.00 39.48 37.43 2ers n PHE 63 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 2ers s LYS 64 N -2.23 1.73 -0.00 -1.08 2.47 -0.57 -4.68 119.74 115.38 2ers s LYS 64 Ca 0.67 -1.26 -0.30 0.00 -1.56 0.00 0.00 55.97 53.52 2ers s LYS 64 Cb -0.42 -2.06 -0.07 0.00 -1.46 0.00 0.00 37.83 33.83 2ers s LYS 64 CO 0.56 0.46 1.67 1.03 0.16 0.00 0.00 175.35 179.23 2ers s ARG 65 N -2.29 4.19 0.74 4.03 0.52 -1.26 -0.15 118.95 124.73 2ers s ARG 65 Ca 0.19 2.26 -0.17 0.00 -0.52 0.00 0.00 55.73 57.49 2ers s ARG 65 Cb -0.10 -3.86 -0.08 0.00 0.52 0.00 0.00 34.95 31.43 2ers s ARG 65 CO 0.10 -0.81 0.12 1.17 0.02 0.00 0.00 175.30 175.90 2ers n LYS 66 N 6.60 0.13 -1.59 3.54 3.00 -0.27 -4.84 118.16 124.74 2ers n LYS 66 Ca 0.17 0.07 -0.38 0.00 -0.00 0.00 0.00 58.31 58.17 2ers n LYS 66 Cb 0.42 -1.48 -0.03 0.00 0.00 0.00 0.00 35.03 33.94 2ers n LYS 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2ers s ALA 67 N -1.98 1.95 0.00 3.14 0.00 -1.26 -2.68 121.76 120.93 2ers s ALA 67 Ca 0.58 0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.76 2ers s ALA 67 Cb -0.34 -4.27 0.00 0.00 0.00 0.00 0.00 23.12 18.51 2ers s ALA 67 CO 0.65 -3.98 0.00 0.41 0.00 0.00 0.00 175.76 172.84 2ers n GLY 68 N 5.93 1.42 3.75 0.00 0.00 -1.26 -5.08 105.19 109.95 2ers n GLY 68 Ca 0.34 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.95 2ers n GLY 68 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2ers n THR 69 N -0.13 2.31 -3.96 2.61 5.66 -1.09 -5.02 114.28 114.66 2ers n THR 69 Ca 0.00 -0.50 -0.29 0.00 -3.05 0.00 0.00 64.05 60.21 2ers n THR 69 Cb 0.00 -1.83 -0.16 0.00 -1.55 0.00 0.00 70.33 66.78 2ers n THR 69 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 2ers s SER 70 N -0.31 2.71 -0.82 1.09 0.15 -1.26 -4.87 113.70 110.39 2ers s SER 70 Ca 0.57 -0.55 0.02 0.00 0.70 0.00 0.00 55.95 56.69 2ers s SER 70 Cb -0.48 -1.04 0.30 0.00 -1.71 0.00 0.00 66.02 63.08 2ers s SER 70 CO 0.61 -0.12 1.18 -1.54 1.20 0.00 0.00 173.24 174.57 2ers n SER 71 N 4.83 5.28 -4.19 5.45 3.41 -1.26 -3.43 113.62 123.71 2ers n SER 71 Ca -0.14 -3.53 -0.40 0.00 -0.26 0.00 0.00 58.87 54.54 2ers n SER 71 Cb 0.49 -0.90 -0.08 0.00 -0.26 0.00 0.00 64.21 63.45 2ers n SER 71 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2ers s LEU 72 N -3.08 5.66 -0.56 1.04 1.98 -1.26 -3.26 118.68 119.21 2ers s LEU 72 Ca 0.39 -2.19 -0.20 0.00 -2.89 0.00 0.00 54.13 49.24 2ers s LEU 72 Cb 0.15 -1.98 0.07 0.00 0.66 0.00 0.00 46.19 45.10 2ers s LEU 72 CO -0.02 -0.60 0.73 0.28 -1.89 0.00 0.00 176.35 174.85 2ers s THR 73 N 0.93 4.73 -0.11 3.68 -1.32 0.09 -4.66 115.64 118.98 2ers s THR 73 Ca 0.09 -0.55 0.00 0.00 -1.21 0.00 0.00 61.69 60.03 2ers s THR 73 Cb -0.23 -4.44 -0.02 0.00 -1.51 0.00 0.00 72.50 66.30 2ers s THR 73 CO -0.03 -1.03 -0.11 -0.70 -2.21 0.00 0.00 174.62 170.55 2ers s GLU 74 N 2.98 3.18 -1.20 7.08 2.12 -1.26 -0.44 118.70 131.16 2ers s GLU 74 Ca 0.16 -0.64 -0.19 0.00 0.36 0.00 0.00 54.97 54.66 2ers s GLU 74 Cb -0.20 -2.62 -0.02 0.00 0.26 0.00 0.00 34.13 31.55 2ers s GLU 74 CO 0.11 0.36 1.91 0.00 -0.54 0.00 0.00 175.26 177.10 2ers s VAL 76 N 6.29 4.98 -0.51 0.00 -7.23 -0.85 -1.78 120.40 121.30 2ers s VAL 76 Ca 0.58 1.62 -0.28 0.00 -1.81 0.00 0.00 61.98 62.09 2ers s VAL 76 Cb 0.06 -4.12 0.01 0.00 0.56 0.00 0.00 36.38 32.89 2ers s VAL 76 CO 0.08 0.20 1.45 -0.22 -0.31 0.00 0.00 175.10 176.30 2ers s LEU 77 N 1.02 3.46 0.00 1.32 1.98 -1.26 -2.62 118.68 122.58 2ers s LEU 77 Ca 0.41 0.50 0.00 0.00 -2.89 0.00 0.00 54.13 52.16 2ers s LEU 77 Cb -0.18 -3.21 0.00 0.00 0.66 0.00 0.00 46.19 43.46 2ers s LEU 77 CO 0.20 -1.65 0.24 -3.20 -1.89 0.00 0.00 176.35 170.04 2ers n ASN 78 N 9.52 0.32 -1.42 3.68 5.15 -1.26 -4.84 115.26 126.41 2ers n ASN 78 Ca 0.15 -0.79 -0.07 0.00 -0.60 0.00 0.00 54.58 53.26 2ers n ASN 78 Cb 0.49 -0.16 -0.03 0.00 -0.53 0.00 0.00 39.78 39.55 2ers n ASN 78 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2ers n LYS 79 N 0.15 -1.39 0.17 1.20 4.76 -1.26 -4.32 118.16 117.47 2ers n LYS 79 Ca 0.00 0.41 0.00 0.00 -2.87 0.00 0.00 58.31 55.85 2ers n LYS 79 Cb 0.08 -4.62 0.00 0.00 -1.84 0.00 0.00 35.03 28.65 2ers n LYS 79 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2ers n ALA 80 N -0.54 1.46 0.48 7.82 0.00 -1.26 -4.90 120.51 123.56 2ers n ALA 80 Ca -0.07 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.41 2ers n ALA 80 Cb 0.29 0.00 0.25 0.00 0.00 0.00 0.00 19.45 19.99 2ers n ALA 80 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2ers n THR 81 N -3.32 0.66 -0.39 0.00 5.66 -1.26 -4.86 114.28 110.77 2ers n THR 81 Ca 0.00 0.16 0.00 0.00 -3.05 0.00 0.00 64.05 61.16 2ers n THR 81 Cb 0.00 -1.01 0.00 0.00 -1.55 0.00 0.00 70.33 67.77 2ers n THR 81 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 2ers n ASN 82 N -1.24 -1.91 -4.11 1.09 3.02 -1.26 -4.93 115.26 105.92 2ers n ASN 82 Ca 0.05 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.28 2ers n ASN 82 Cb 0.07 -1.65 -0.16 0.00 -0.61 0.00 0.00 39.78 37.43 2ers n ASN 82 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2ers s VAL 83 N -0.46 1.98 -0.09 2.41 0.11 -1.26 -4.99 120.40 118.09 2ers s VAL 83 Ca 0.00 -0.90 -0.29 0.00 -2.93 0.00 0.00 61.98 57.86 2ers s VAL 83 Cb 0.00 -1.79 -0.05 0.00 -1.53 0.00 0.00 36.38 33.01 2ers s VAL 83 CO 0.00 0.53 1.69 0.00 -3.33 0.00 0.00 175.10 173.98 2ers s ALA 84 N 1.23 3.50 0.11 1.54 0.00 -1.26 -4.10 121.76 122.78 2ers s ALA 84 Ca 0.03 0.84 0.01 0.00 0.00 0.00 0.00 51.96 52.84 2ers s ALA 84 Cb -0.13 -3.79 0.01 0.00 0.00 0.00 0.00 23.12 19.21 2ers s ALA 84 CO -0.10 -1.59 0.10 -2.39 0.00 0.00 0.00 175.76 171.77 2ers n HIS 85 N 7.65 -1.66 -3.13 0.00 1.44 -1.08 -4.18 115.22 114.27 2ers n HIS 85 Ca 0.18 -0.46 -0.34 0.00 -2.01 0.00 0.00 57.72 55.09 2ers n HIS 85 Cb 0.43 -0.10 -0.03 0.00 0.12 0.00 0.00 29.99 30.42 2ers n HIS 85 CO 0.00 0.00 0.00 0.91 -2.81 0.00 0.00 176.34 174.44 2ers n TRP 86 N -0.87 3.10 0.00 -1.40 7.02 -1.26 -2.01 117.44 122.01 2ers n TRP 86 Ca 0.00 -3.40 0.00 0.00 -1.02 0.00 0.00 57.50 53.08 2ers n TRP 86 Cb 0.13 -0.87 0.00 0.00 -2.42 0.00 0.00 31.31 28.15 2ers n TRP 86 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 2ers n THR 87 N 0.79 0.00 -3.74 -0.99 -2.24 -1.12 -4.57 114.28 102.41 2ers n THR 87 Ca 0.30 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.79 2ers n THR 87 Cb 0.36 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.47 2ers n THR 87 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2ers s THR 88 N 0.00 1.63 -0.14 4.28 2.01 -1.26 -5.03 115.64 117.13 2ers s THR 88 Ca 0.00 -2.85 -0.20 0.00 0.31 0.00 0.00 61.69 58.95 2ers s THR 88 Cb 0.00 -2.13 -0.03 0.00 0.01 0.00 0.00 72.50 70.35 2ers s THR 88 CO 0.00 -0.92 0.59 -2.16 -0.69 0.00 0.00 174.62 171.44 2ers s PRO 89 N 0.05 4.30 0.04 4.92 0.04 -1.26 -5.01 135.00 138.08 2ers s PRO 89 Ca 0.20 0.61 -0.31 0.00 0.04 0.00 0.00 61.00 61.54 2ers s PRO 89 Cb -0.20 -3.51 -0.18 0.00 0.04 0.00 0.00 34.50 30.66 2ers s PRO 89 CO -0.03 -0.05 1.41 0.77 0.04 0.00 0.00 177.00 179.14 2ers h SER 90 N 7.09 -0.76 -3.67 6.66 0.02 -1.97 -3.42 113.55 117.50 2ers h SER 90 Ca -0.37 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 2ers h SER 90 Cb 1.17 0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.90 2ers h SER 90 CO 0.76 -0.46 -0.39 -0.11 -1.14 0.00 0.00 176.83 175.49 2ers n LEU 91 N -5.43 -2.47 -3.84 5.07 -0.00 -1.22 -4.74 117.00 104.37 2ers n LEU 91 Ca -0.13 1.93 -0.28 0.00 -0.00 0.00 0.00 56.01 57.53 2ers n LEU 91 Cb 0.38 -2.19 -0.12 0.00 -0.00 0.00 0.00 43.42 41.49 2ers n LEU 91 CO 0.35 -1.15 -0.02 0.29 -0.00 0.00 0.00 177.39 176.85 2ers n LYS 92 N 1.73 1.90 -2.42 1.96 5.02 -1.26 -4.88 118.16 120.21 2ers n LYS 92 Ca 0.00 -4.50 -0.43 0.00 -2.02 0.00 0.00 58.31 51.36 2ers n LYS 92 Cb 0.00 -2.28 -0.02 0.00 -0.02 0.00 0.00 35.03 32.71 2ers n LYS 92 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ers s ILE 94 N 5.33 0.54 0.36 0.00 -4.36 0.79 -4.85 121.20 119.02 2ers s ILE 94 Ca 0.56 -0.18 -0.20 0.00 -0.26 0.00 0.00 60.65 60.56 2ers s ILE 94 Cb -0.11 -0.53 -0.15 0.00 1.25 0.00 0.00 42.46 42.92 2ers s ILE 94 CO 0.31 0.20 0.12 -2.11 0.24 0.00 0.00 174.94 173.70 2ers n ARG 95 N 3.64 0.00 0.00 0.37 -4.01 -1.26 -1.51 116.66 113.89 2ers n ARG 95 Ca -0.21 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.60 2ers n ARG 95 Cb 0.53 -0.94 0.00 0.00 -3.04 0.00 0.00 32.46 29.01 2ers n ARG 95 CO 0.00 0.00 0.00 -0.40 -3.04 0.00 0.00 177.63 174.19