#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xed s ILE 4 N 0.00 4.22 0.00 4.25 1.01 -1.25 -4.59 121.20 124.84 1xed s ILE 4 Ca 0.00 1.40 -0.01 0.00 0.00 0.00 0.00 60.65 62.05 1xed s ILE 4 Cb 0.00 -4.15 -0.04 0.00 0.01 0.00 0.00 42.46 38.28 1xed s ILE 4 CO 0.00 -0.40 0.10 0.12 0.00 0.00 0.00 174.94 174.77 1xed s PHE 5 N 4.09 3.34 0.00 3.97 5.36 0.81 -4.61 117.98 130.94 1xed s PHE 5 Ca 0.54 0.23 0.00 0.00 -0.96 0.00 0.00 56.93 56.74 1xed s PHE 5 Cb -0.17 -1.75 0.00 0.00 -0.34 0.00 0.00 43.02 40.76 1xed s PHE 5 CO 0.20 0.57 0.00 0.41 -1.46 0.00 0.00 175.22 174.94 1xed n GLY 6 N 1.04 2.17 3.59 13.12 0.00 -1.26 0.11 105.19 123.95 1xed n GLY 6 Ca -0.12 -0.79 -0.43 0.00 0.00 0.00 0.00 46.02 44.69 1xed n GLY 6 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1xed s PRO 7 N 0.11 3.69 0.42 1.61 0.02 -1.26 -4.91 135.00 134.68 1xed s PRO 7 Ca 0.00 0.39 0.09 0.00 0.02 0.00 0.00 61.00 61.51 1xed s PRO 7 Cb 0.00 -3.87 0.92 0.00 0.02 0.00 0.00 34.50 31.57 1xed s PRO 7 CO 0.00 -1.11 2.03 1.49 -0.33 0.00 0.00 177.00 179.08 1xed h GLU 8 N 8.82 0.50 -3.32 5.54 4.81 -1.94 -3.41 114.58 125.57 1xed h GLU 8 Ca -0.24 -0.03 -0.19 0.00 -0.13 0.00 0.00 59.36 58.78 1xed h GLU 8 Cb 1.08 -0.11 -0.27 0.00 0.63 0.00 0.00 28.75 30.08 1xed h GLU 8 CO 1.02 0.33 -0.53 -1.21 -0.73 0.00 0.00 179.01 177.89 1xed s GLU 9 N -5.46 0.19 -0.05 1.92 2.02 -1.26 -1.47 118.70 114.59 1xed s GLU 9 Ca -0.08 0.24 0.01 0.00 0.02 0.00 0.00 54.97 55.16 1xed s GLU 9 Cb 0.18 0.08 0.02 0.00 0.10 0.00 0.00 34.13 34.51 1xed s GLU 9 CO 0.74 -0.03 -0.03 0.08 0.02 0.00 0.00 175.26 176.03 1xed s VAL 10 N 0.17 0.47 0.08 2.63 1.01 0.57 -4.93 120.40 120.41 1xed s VAL 10 Ca -0.01 -0.07 0.10 0.00 0.00 0.00 0.00 61.98 62.00 1xed s VAL 10 Cb -0.02 -0.53 -0.03 0.00 0.00 0.00 0.00 36.38 35.80 1xed s VAL 10 CO -0.00 0.22 -0.26 0.54 0.00 0.00 0.00 175.10 175.60 1xed s ASN 11 N 1.07 3.09 0.31 3.32 4.22 -1.26 -0.56 114.94 125.14 1xed s ASN 11 Ca -0.09 -0.65 -0.02 0.00 -2.14 0.00 0.00 52.86 49.96 1xed s ASN 11 Cb -0.14 -0.24 0.01 0.00 1.28 0.00 0.00 41.25 42.16 1xed s ASN 11 CO -0.01 0.20 0.45 -0.24 -2.04 0.00 0.00 177.10 175.47 1xed n SER 12 N 1.40 -1.27 -4.46 3.54 2.88 0.15 -4.96 113.62 110.91 1xed n SER 12 Ca -0.18 -2.67 -0.28 0.00 -1.33 0.00 0.00 58.87 54.42 1xed n SER 12 Cb 0.53 2.34 -0.12 0.00 -0.75 0.00 0.00 64.21 66.21 1xed n SER 12 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1xed s VAL 13 N -2.73 2.62 0.18 2.46 1.01 -1.26 0.49 120.40 123.16 1xed s VAL 13 Ca 0.25 -1.73 -0.33 0.00 0.00 0.00 0.00 61.98 60.17 1xed s VAL 13 Cb -0.01 -2.22 -0.15 0.00 0.00 0.00 0.00 36.38 34.00 1xed s VAL 13 CO 0.18 0.01 1.27 -0.62 0.00 0.00 0.00 175.10 175.94 1xed n GLU 14 N 0.57 1.45 0.00 2.72 1.02 -0.25 -1.46 120.64 124.69 1xed n GLU 14 Ca -0.15 0.52 0.00 0.00 -0.02 0.00 0.00 57.16 57.51 1xed n GLU 14 Cb 0.54 -2.09 0.00 0.00 -0.02 0.00 0.00 31.44 29.87 1xed n GLU 14 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xed n GLY 15 N 2.19 2.94 3.80 0.62 0.00 0.53 -4.90 105.19 110.36 1xed n GLY 15 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1xed n GLY 15 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xed s ASN 16 N -1.37 2.65 0.35 1.61 -0.87 -0.54 -4.21 114.94 112.56 1xed s ASN 16 Ca 0.00 0.56 0.09 0.00 -1.57 0.00 0.00 52.86 51.95 1xed s ASN 16 Cb 0.00 -0.81 -0.07 0.00 -0.02 0.00 0.00 41.25 40.35 1xed s ASN 16 CO 0.00 -3.05 -0.08 -0.44 -2.57 0.00 0.00 177.10 170.96 1xed s SER 17 N -4.38 3.70 -0.07 -1.22 0.01 -1.26 -1.45 113.70 109.03 1xed s SER 17 Ca 0.70 -1.21 -0.26 0.00 1.31 0.00 0.00 55.95 56.49 1xed s SER 17 Cb -0.08 -0.35 0.06 0.00 0.21 0.00 0.00 66.02 65.86 1xed s SER 17 CO 0.54 -0.23 0.59 0.54 0.41 0.00 0.00 173.24 175.08 1xed s VAL 18 N -2.64 0.01 -0.07 3.43 0.11 0.11 -4.98 120.40 116.39 1xed s VAL 18 Ca 0.33 -0.11 0.05 0.00 -2.93 0.00 0.00 61.98 59.32 1xed s VAL 18 Cb 0.03 -0.89 -0.01 0.00 -1.53 0.00 0.00 36.38 33.98 1xed s VAL 18 CO 0.16 -0.06 -0.23 -0.94 -3.33 0.00 0.00 175.10 170.71 1xed s SER 19 N -0.99 3.27 -0.17 3.54 1.04 -1.26 -0.62 113.70 118.50 1xed s SER 19 Ca -0.10 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 55.87 1xed s SER 19 Cb -0.02 -0.94 0.01 0.00 0.10 0.00 0.00 66.02 65.17 1xed s SER 19 CO 0.07 0.25 -0.17 -0.63 0.98 0.00 0.00 173.24 173.74 1xed s ILE 20 N -0.16 2.44 -0.20 -1.02 1.01 0.42 -4.94 121.20 118.74 1xed s ILE 20 Ca -0.03 -0.83 -0.05 0.00 0.00 0.00 0.00 60.65 59.74 1xed s ILE 20 Cb -0.14 -2.03 -0.02 0.00 0.01 0.00 0.00 42.46 40.28 1xed s ILE 20 CO 0.04 0.52 0.00 -0.89 0.00 0.00 0.00 174.94 174.60 1xed s THR 21 N 1.09 3.96 -0.07 2.92 2.01 -1.26 -1.08 115.64 123.20 1xed s THR 21 Ca -0.00 -0.31 0.04 0.00 0.31 0.00 0.00 61.69 61.72 1xed s THR 21 Cb -0.14 -2.79 -0.02 0.00 0.01 0.00 0.00 72.50 69.56 1xed s THR 21 CO -0.06 0.43 -0.17 0.00 -0.69 0.00 0.00 174.62 174.13 1xed s TYR 23 N -0.34 3.08 0.04 0.00 1.51 0.29 -1.97 117.35 119.97 1xed s TYR 23 Ca 0.03 0.07 -0.06 0.00 -1.01 0.00 0.00 57.07 56.10 1xed s TYR 23 Cb -0.13 -1.65 -0.01 0.00 -0.11 0.00 0.00 41.96 40.07 1xed s TYR 23 CO 0.02 0.47 0.10 1.52 -1.11 0.00 0.00 175.55 176.55 1xed s TYR 24 N -1.15 0.21 -0.16 2.71 -0.85 -0.49 -0.14 117.35 117.48 1xed s TYR 24 Ca 0.21 -0.53 -0.29 0.00 -0.52 0.00 0.00 57.07 55.94 1xed s TYR 24 Cb -0.12 -0.15 -0.04 0.00 0.38 0.00 0.00 41.96 42.03 1xed s TYR 24 CO 0.13 -0.38 1.77 -1.25 -1.52 0.00 0.00 175.55 174.30 1xed s PRO 25 N -2.76 3.78 -1.17 -3.49 0.04 -1.26 -4.56 135.00 125.59 1xed s PRO 25 Ca -0.04 1.93 -0.24 0.00 0.04 0.00 0.00 61.00 62.69 1xed s PRO 25 Cb -0.00 -4.11 -0.12 0.00 0.04 0.00 0.00 34.50 30.31 1xed s PRO 25 CO -0.05 -1.33 1.97 -1.25 0.04 0.00 0.00 177.00 176.38 1xed s PRO 26 N 4.85 2.19 0.38 0.56 0.04 -1.26 -4.68 135.00 137.08 1xed s PRO 26 Ca 0.79 -1.01 0.05 0.00 0.04 0.00 0.00 61.00 60.87 1xed s PRO 26 Cb -0.30 -5.19 0.05 0.00 0.04 0.00 0.00 34.50 29.11 1xed s PRO 26 CO 0.32 -4.34 0.43 0.25 0.04 0.00 0.00 177.00 173.70 1xed n THR 27 N 8.08 0.00 -0.09 1.26 -2.24 -1.26 -4.97 114.28 115.06 1xed n THR 27 Ca 0.44 -1.37 -0.12 0.00 -2.27 0.00 0.00 64.05 60.73 1xed n THR 27 Cb 0.47 -0.47 -0.04 0.00 -2.10 0.00 0.00 70.33 68.18 1xed n THR 27 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1xed h SER 28 N 0.22 0.51 0.00 3.42 4.64 -2.01 -2.87 113.55 117.46 1xed h SER 28 Ca -0.20 -0.36 0.00 0.00 -0.47 0.00 0.00 61.79 60.76 1xed h SER 28 Cb 0.85 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 1xed h SER 28 CO 0.30 0.75 0.00 0.52 -0.87 0.00 0.00 176.83 177.53 1xed n VAL 29 N -4.54 0.00 -0.36 0.95 0.31 -1.26 -2.66 118.33 110.76 1xed n VAL 29 Ca -0.03 1.42 0.31 0.00 -0.01 0.00 0.00 64.34 66.02 1xed n VAL 29 Cb 0.30 -2.41 0.53 0.00 -0.91 0.00 0.00 33.84 31.34 1xed n VAL 29 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1xed n ASN 30 N -1.77 0.17 0.17 4.52 3.02 -1.25 -0.04 115.26 120.08 1xed n ASN 30 Ca 0.00 1.09 -0.12 0.00 -0.03 0.00 0.00 54.58 55.52 1xed n ASN 30 Cb 0.00 -0.54 -0.07 0.00 -0.61 0.00 0.00 39.78 38.57 1xed n ASN 30 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 1xed h ARG 31 N 0.00 -0.45 -0.03 3.52 3.08 -1.41 -3.24 114.38 115.85 1xed h ARG 31 Ca 0.69 0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.71 1xed h ARG 31 Cb 2.19 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 32.34 1xed h ARG 31 CO -0.37 -0.14 -0.23 0.45 -1.07 0.00 0.00 179.97 178.61 1xed h HIS 32 N -0.94 0.06 -3.11 3.04 3.86 -0.22 -3.45 115.15 114.38 1xed h HIS 32 Ca -0.05 -0.01 -0.58 0.00 -1.16 0.00 0.00 60.37 58.57 1xed h HIS 32 Cb 0.53 -0.02 0.15 0.00 1.06 0.00 0.00 27.41 29.13 1xed h HIS 32 CO 0.03 0.28 -0.07 2.41 0.86 0.00 0.00 177.93 181.44 1xed n THR 33 N -4.25 2.70 -2.53 2.45 -1.04 0.77 -4.95 114.28 107.44 1xed n THR 33 Ca -0.02 -0.50 -0.34 0.00 -2.04 0.00 0.00 64.05 61.15 1xed n THR 33 Cb 0.30 -0.95 -0.03 0.00 -1.82 0.00 0.00 70.33 67.82 1xed n THR 33 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xed s ARG 34 N -2.21 3.81 -0.04 -2.82 1.70 -1.26 -4.77 118.95 113.36 1xed s ARG 34 Ca 0.69 1.31 0.04 0.00 -0.47 0.00 0.00 55.73 57.31 1xed s ARG 34 Cb -0.49 -2.10 -0.03 0.00 -0.57 0.00 0.00 34.95 31.77 1xed s ARG 34 CO 0.53 -0.42 -0.16 0.15 -1.08 0.00 0.00 175.30 174.32 1xed s LYS 35 N -3.32 2.41 0.07 3.89 -0.14 -1.26 -0.29 119.74 121.11 1xed s LYS 35 Ca 0.66 -0.75 -0.02 0.00 -1.36 0.00 0.00 55.97 54.50 1xed s LYS 35 Cb -0.15 -2.32 -0.04 0.00 -1.68 0.00 0.00 37.83 33.64 1xed s LYS 35 CO 0.21 0.61 0.02 1.52 -0.76 0.00 0.00 175.35 176.95 1xed s TYR 36 N -0.73 0.56 -0.12 3.18 -0.85 -0.35 -1.20 117.35 117.82 1xed s TYR 36 Ca 0.12 -1.05 -0.02 0.00 -0.52 0.00 0.00 57.07 55.59 1xed s TYR 36 Cb -0.11 -0.37 0.04 0.00 0.38 0.00 0.00 41.96 41.91 1xed s TYR 36 CO 0.01 -0.44 0.01 -0.46 -1.52 0.00 0.00 175.55 173.16 1xed s TRP 37 N -3.94 0.82 0.20 -3.49 -0.11 -0.64 -1.70 118.94 110.07 1xed s TRP 37 Ca 0.11 -0.45 0.04 0.00 1.22 0.00 0.00 56.10 57.02 1xed s TRP 37 Cb 0.07 -0.90 -0.05 0.00 -1.50 0.00 0.00 33.47 31.10 1xed s TRP 37 CO -0.07 -0.45 -0.05 0.00 -4.62 0.00 0.00 176.95 171.76 1xed s ARG 39 N -3.80 2.65 -0.51 0.00 3.52 -0.35 -0.82 118.95 119.65 1xed s ARG 39 Ca 0.23 -0.63 -0.27 0.00 -0.13 0.00 0.00 55.73 54.93 1xed s ARG 39 Cb 0.04 -2.54 -0.08 0.00 -1.56 0.00 0.00 34.95 30.81 1xed s ARG 39 CO 0.05 0.64 2.42 1.04 -0.81 0.00 0.00 175.30 178.64 1xed n GLN 40 N 1.94 1.02 -3.91 5.12 1.13 0.45 -0.78 117.38 122.36 1xed n GLN 40 Ca -0.17 0.03 -0.34 0.00 -1.94 0.00 0.00 57.00 54.59 1xed n GLN 40 Cb 0.53 -3.27 -0.13 0.00 0.11 0.00 0.00 30.24 27.47 1xed n GLN 40 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1xed s ILE 47 N 1.05 4.37 0.17 0.00 1.09 0.04 -4.92 121.20 123.00 1xed s ILE 47 Ca 0.07 1.65 -0.32 0.00 -1.10 0.00 0.00 60.65 60.95 1xed s ILE 47 Cb -0.21 -4.09 -0.10 0.00 -1.06 0.00 0.00 42.46 37.00 1xed s ILE 47 CO -0.05 -0.17 1.62 -0.89 -0.10 0.00 0.00 174.94 175.35 1xed s THR 48 N 3.49 2.48 -0.19 2.92 2.01 -1.26 -1.20 115.64 123.89 1xed s THR 48 Ca 0.52 0.32 0.10 0.00 0.31 0.00 0.00 61.69 62.95 1xed s THR 48 Cb -0.20 -3.21 -0.19 0.00 0.01 0.00 0.00 72.50 68.92 1xed s THR 48 CO 0.13 0.02 -0.03 0.18 -0.69 0.00 0.00 174.62 174.23 1xed n LEU 49 N 4.12 1.08 -3.63 4.42 4.77 0.17 -4.74 117.00 123.19 1xed n LEU 49 Ca 0.15 -0.04 -0.12 0.00 -0.03 0.00 0.00 56.01 55.96 1xed n LEU 49 Cb 0.38 -0.01 -0.07 0.00 -2.33 0.00 0.00 43.42 41.39 1xed n LEU 49 CO 0.62 0.59 0.53 -0.51 -1.33 0.00 0.00 177.39 177.29 1xed s ILE 50 N -2.43 0.00 0.20 -0.08 2.07 -1.13 -1.76 121.20 118.07 1xed s ILE 50 Ca -0.16 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.08 1xed s ILE 50 Cb 0.06 -1.00 -0.05 0.00 0.13 0.00 0.00 42.46 41.60 1xed s ILE 50 CO 0.64 0.00 0.07 -0.94 -1.91 0.00 0.00 174.94 172.80 1xed s SER 51 N 0.29 0.84 0.00 4.50 1.04 -0.73 -1.61 113.70 118.02 1xed s SER 51 Ca 0.01 -1.30 0.10 0.00 0.48 0.00 0.00 55.95 55.24 1xed s SER 51 Cb -0.05 0.22 0.29 0.00 0.10 0.00 0.00 66.02 66.58 1xed s SER 51 CO -0.01 -0.71 1.24 -1.54 0.98 0.00 0.00 173.24 173.20 1xed n SER 52 N -0.30 1.61 -1.31 7.02 3.41 -0.34 -4.04 113.62 119.66 1xed n SER 52 Ca -0.02 -1.98 0.08 0.00 -0.26 0.00 0.00 58.87 56.69 1xed n SER 52 Cb 0.65 -0.20 0.31 0.00 -0.26 0.00 0.00 64.21 64.71 1xed n SER 52 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1xed n GLU 53 N 0.38 3.60 0.00 4.33 -0.58 -1.26 -4.89 120.64 122.22 1xed n GLU 53 Ca 0.10 -2.80 0.00 0.00 -0.42 0.00 0.00 57.16 54.04 1xed n GLU 53 Cb 0.26 -1.85 0.00 0.00 -0.57 0.00 0.00 31.44 29.27 1xed n GLU 53 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xed n GLY 54 N 0.51 1.06 3.23 0.62 0.00 -1.26 -5.10 105.19 104.25 1xed n GLY 54 Ca 0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 1xed n GLY 54 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1xed s TYR 55 N -2.00 2.09 -0.21 1.61 5.04 -1.26 -5.07 117.35 117.55 1xed s TYR 55 Ca 0.00 -0.53 -0.05 0.00 -2.44 0.00 0.00 57.07 54.05 1xed s TYR 55 Cb 0.00 -1.37 0.11 0.00 0.35 0.00 0.00 41.96 41.05 1xed s TYR 55 CO 0.00 -0.13 0.41 0.54 -1.34 0.00 0.00 175.55 175.03 1xed s VAL 56 N -0.26 -0.64 0.38 3.14 0.11 -1.26 -1.77 120.40 120.10 1xed s VAL 56 Ca 0.01 0.09 -0.27 0.00 -2.93 0.00 0.00 61.98 58.88 1xed s VAL 56 Cb -0.11 -0.72 -0.11 0.00 -1.53 0.00 0.00 36.38 33.91 1xed s VAL 56 CO 0.01 0.01 1.38 -1.54 -3.33 0.00 0.00 175.10 171.64 1xed n SER 57 N 5.38 3.20 0.13 3.54 3.41 -0.72 -4.49 113.62 124.08 1xed n SER 57 Ca -0.07 1.19 0.19 0.00 -0.26 0.00 0.00 58.87 59.92 1xed n SER 57 Cb 0.50 -1.56 0.74 0.00 -0.26 0.00 0.00 64.21 63.63 1xed n SER 57 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1xed h SER 58 N 2.59 0.00 0.11 4.04 4.64 -1.92 1.39 113.55 124.39 1xed h SER 58 Ca -0.49 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.77 1xed h SER 58 Cb 1.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.35 1xed h SER 58 CO 0.62 0.00 -0.20 0.11 -0.87 0.00 0.00 176.83 176.49 1xed h LYS 59 N 0.00 0.19 0.00 4.77 6.56 -1.94 -3.26 116.57 122.89 1xed h LYS 59 Ca 0.16 -0.05 -0.36 0.00 -1.06 0.00 0.00 60.65 59.34 1xed h LYS 59 Cb 1.06 -0.02 -0.06 0.00 -0.57 0.00 0.00 32.23 32.64 1xed h LYS 59 CO -0.00 0.39 -2.36 0.66 -2.06 0.00 0.00 179.45 176.07 1xed n TYR 60 N -4.22 0.00 -0.90 -1.35 0.53 0.41 -4.88 117.16 106.75 1xed n TYR 60 Ca -0.01 0.00 -0.36 0.00 -1.02 0.00 0.00 57.90 56.51 1xed n TYR 60 Cb 0.31 -0.92 -0.06 0.00 -1.03 0.00 0.00 39.34 37.65 1xed n TYR 60 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1xed n ALA 61 N -3.26 -0.57 0.00 -0.72 0.00 0.24 0.94 120.51 117.14 1xed n ALA 61 Ca -0.43 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1xed n ALA 61 Cb 0.94 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 19.33 1xed n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xed n GLY 62 N 2.55 2.84 0.86 0.00 0.00 -1.26 -4.80 105.19 105.38 1xed n GLY 62 Ca 0.19 -0.05 0.07 0.00 0.00 0.00 0.00 46.02 46.24 1xed n GLY 62 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1xed n ARG 63 N 0.00 3.00 -3.44 1.61 1.85 0.27 -5.01 116.66 114.94 1xed n ARG 63 Ca 0.00 -2.53 -0.11 0.00 -1.00 0.00 0.00 57.85 54.21 1xed n ARG 63 Cb 0.00 -1.62 -0.02 0.00 -1.05 0.00 0.00 32.46 29.77 1xed n ARG 63 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1xed s ALA 64 N -2.01 -1.63 -0.06 2.89 0.00 -1.15 -0.67 121.76 119.13 1xed s ALA 64 Ca 0.35 0.57 -0.17 0.00 0.00 0.00 0.00 51.96 52.70 1xed s ALA 64 Cb 0.25 0.81 0.04 0.00 0.00 0.00 0.00 23.12 24.22 1xed s ALA 64 CO 0.13 -0.76 0.40 1.21 0.00 0.00 0.00 175.76 176.74 1xed s ASN 65 N -2.71 -0.33 -0.11 0.00 2.47 -0.14 -4.85 114.94 109.26 1xed s ASN 65 Ca 0.02 0.39 0.02 0.00 0.42 0.00 0.00 52.86 53.71 1xed s ASN 65 Cb -0.01 0.50 0.02 0.00 -1.45 0.00 0.00 41.25 40.30 1xed s ASN 65 CO -0.12 -0.39 -0.15 -0.22 -3.72 0.00 0.00 177.10 172.50 1xed s LEU 66 N -0.88 1.71 -0.05 3.21 0.20 -1.26 -0.13 118.68 121.48 1xed s LEU 66 Ca -0.09 -0.43 0.05 0.00 0.69 0.00 0.00 54.13 54.35 1xed s LEU 66 Cb -0.04 -1.09 -0.01 0.00 -0.43 0.00 0.00 46.19 44.62 1xed s LEU 66 CO 0.04 0.01 -0.21 -0.89 -0.29 0.00 0.00 176.35 175.01 1xed s THR 67 N 1.04 1.69 -0.07 3.68 2.01 0.07 -4.91 115.64 119.15 1xed s THR 67 Ca -0.05 -0.87 0.02 0.00 0.31 0.00 0.00 61.69 61.10 1xed s THR 67 Cb -0.15 -1.44 -0.03 0.00 0.01 0.00 0.00 72.50 70.90 1xed s THR 67 CO -0.02 0.48 -0.11 0.21 -0.69 0.00 0.00 174.62 174.49 1xed s ASN 68 N -0.09 4.32 -0.55 3.53 3.04 -1.26 0.22 114.94 124.14 1xed s ASN 68 Ca -0.03 -0.13 0.04 0.00 0.04 0.00 0.00 52.86 52.78 1xed s ASN 68 Cb -0.12 -1.09 0.16 0.00 -1.54 0.00 0.00 41.25 38.66 1xed s ASN 68 CO 0.02 0.33 0.37 -0.36 -3.04 0.00 0.00 177.10 174.42 1xed s PHE 69 N -0.62 2.61 0.45 0.43 0.40 0.17 -4.95 117.98 116.47 1xed s PHE 69 Ca 0.09 -2.88 0.13 0.00 -0.60 0.00 0.00 56.93 53.68 1xed s PHE 69 Cb -0.11 -2.15 1.05 0.00 0.51 0.00 0.00 43.02 42.32 1xed s PHE 69 CO 0.01 -0.69 2.03 -1.35 0.70 0.00 0.00 175.22 175.92 1xed h PRO 70 N 5.93 0.34 -0.66 0.24 0.11 -1.94 -1.73 132.00 134.29 1xed h PRO 70 Ca 0.10 -0.02 0.13 0.00 0.11 0.00 0.00 66.00 66.32 1xed h PRO 70 Cb 0.85 -0.08 -0.13 0.00 0.11 0.00 0.00 31.00 31.75 1xed h PRO 70 CO 0.58 0.23 -0.16 0.93 -0.21 0.00 0.00 178.00 179.37 1xed h GLU 71 N 0.35 0.01 -0.04 1.05 5.08 -1.93 -2.68 114.58 116.42 1xed h GLU 71 Ca 0.20 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 1xed h GLU 71 Cb 0.35 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1xed h GLU 71 CO -0.05 0.00 -0.44 0.27 -1.00 0.00 0.00 179.01 177.79 1xed n ASN 72 N -5.44 1.80 -3.87 1.42 2.04 -0.98 -5.02 115.26 105.21 1xed n ASN 72 Ca 0.08 -3.88 -0.39 0.00 -0.44 0.00 0.00 54.58 49.96 1xed n ASN 72 Cb 0.35 -0.54 0.03 0.00 -2.53 0.00 0.00 39.78 37.09 1xed n ASN 72 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1xed n GLY 73 N -1.13 -0.93 3.21 4.83 0.00 -0.69 -4.88 105.19 105.61 1xed n GLY 73 Ca 0.20 0.40 -0.11 0.00 0.00 0.00 0.00 46.02 46.52 1xed n GLY 73 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xed s THR 74 N -3.49 0.10 -0.02 2.61 -4.23 -1.01 -1.40 115.64 108.20 1xed s THR 74 Ca 0.48 -0.83 -0.05 0.00 -1.18 0.00 0.00 61.69 60.11 1xed s THR 74 Cb -0.22 -0.96 0.01 0.00 1.34 0.00 0.00 72.50 72.67 1xed s THR 74 CO 0.92 -0.46 0.12 0.72 -0.54 0.00 0.00 174.62 175.37 1xed s PHE 75 N -2.67 -0.04 -0.08 3.99 -0.12 -0.83 0.44 117.98 118.67 1xed s PHE 75 Ca -0.04 0.10 0.05 0.00 -0.05 0.00 0.00 56.93 56.99 1xed s PHE 75 Cb -0.01 -0.01 -0.01 0.00 -0.63 0.00 0.00 43.02 42.37 1xed s PHE 75 CO -0.04 -0.16 -0.22 0.08 -0.05 0.00 0.00 175.22 174.83 1xed s VAL 76 N -0.58 2.27 -0.25 -2.49 1.01 0.13 -1.84 120.40 118.67 1xed s VAL 76 Ca -0.07 -0.97 -0.06 0.00 0.00 0.00 0.00 61.98 60.88 1xed s VAL 76 Cb -0.04 -1.86 -0.01 0.00 0.00 0.00 0.00 36.38 34.47 1xed s VAL 76 CO 0.01 0.56 0.03 -0.69 0.00 0.00 0.00 175.10 175.01 1xed s VAL 77 N -0.02 3.88 -0.17 2.92 1.01 -0.24 -0.75 120.40 127.03 1xed s VAL 77 Ca -0.07 -0.41 -0.06 0.00 0.00 0.00 0.00 61.98 61.44 1xed s VAL 77 Cb -0.15 -2.85 -0.03 0.00 0.00 0.00 0.00 36.38 33.35 1xed s VAL 77 CO 0.05 0.31 0.01 0.20 0.00 0.00 0.00 175.10 175.67 1xed s ASN 78 N 1.54 5.20 -0.07 3.32 0.02 0.81 -0.44 114.94 125.31 1xed s ASN 78 Ca 0.05 -0.03 0.02 0.00 -1.02 0.00 0.00 52.86 51.88 1xed s ASN 78 Cb -0.15 -1.87 0.01 0.00 0.02 0.00 0.00 41.25 39.26 1xed s ASN 78 CO 0.01 0.17 -0.13 -0.63 0.02 0.00 0.00 177.10 176.53 1xed s ILE 79 N 0.39 1.24 0.40 0.60 1.01 0.20 -0.97 121.20 124.07 1xed s ILE 79 Ca -0.01 -0.53 0.08 0.00 0.00 0.00 0.00 60.65 60.19 1xed s ILE 79 Cb -0.13 -1.13 -0.04 0.00 0.01 0.00 0.00 42.46 41.17 1xed s ILE 79 CO 0.02 0.38 0.24 0.00 0.00 0.00 0.00 174.94 175.58 1xed s ALA 80 N 0.72 3.73 -1.23 9.38 0.00 0.15 -0.71 121.76 133.80 1xed s ALA 80 Ca -0.13 -1.98 -0.17 0.00 0.00 0.00 0.00 51.96 49.67 1xed s ALA 80 Cb -0.16 -0.66 0.00 0.00 0.00 0.00 0.00 23.12 22.30 1xed s ALA 80 CO 0.03 -0.15 0.66 0.94 0.00 0.00 0.00 175.76 177.25 1xed n GLN 81 N -1.32 -1.62 -2.17 0.00 -0.06 -1.08 -4.91 117.38 106.21 1xed n GLN 81 Ca 0.00 0.38 -0.40 0.00 -2.00 0.00 0.00 57.00 54.98 1xed n GLN 81 Cb 0.63 -3.97 -0.02 0.00 -4.06 0.00 0.00 30.24 22.82 1xed n GLN 81 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 1xed s LEU 82 N -6.78 4.34 0.11 1.69 1.43 -0.53 -4.67 118.68 114.27 1xed s LEU 82 Ca 0.35 2.57 0.01 0.00 -1.03 0.00 0.00 54.13 56.02 1xed s LEU 82 Cb -0.14 -3.79 -0.04 0.00 0.03 0.00 0.00 46.19 42.25 1xed s LEU 82 CO 0.89 -0.61 -0.03 -0.94 0.23 0.00 0.00 176.35 175.89 1xed s SER 83 N -0.72 0.91 0.52 2.29 1.04 -1.26 0.20 113.70 116.67 1xed s SER 83 Ca 0.52 -1.07 0.32 0.00 0.48 0.00 0.00 55.95 56.20 1xed s SER 83 Cb -0.37 0.15 1.45 0.00 0.10 0.00 0.00 66.02 67.35 1xed s SER 83 CO 0.48 -0.55 1.83 1.56 0.98 0.00 0.00 173.24 177.54 1xed h GLN 84 N 2.93 0.07 -0.77 4.02 4.20 -1.89 0.42 115.11 124.10 1xed h GLN 84 Ca -0.35 -0.00 0.14 0.00 0.06 0.00 0.00 58.65 58.49 1xed h GLN 84 Cb 1.17 -0.02 -0.09 0.00 0.30 0.00 0.00 27.48 28.84 1xed h GLN 84 CO 0.64 0.05 0.33 0.22 -0.67 0.00 0.00 178.83 179.40 1xed h ASP 85 N 0.07 0.35 0.14 1.46 1.82 -1.95 0.36 116.42 118.67 1xed h ASP 85 Ca 0.52 0.10 0.00 0.00 -0.39 0.00 0.00 57.03 57.26 1xed h ASP 85 Cb 1.94 0.06 0.00 0.00 0.68 0.00 0.00 39.33 42.01 1xed h ASP 85 CO -0.06 0.14 0.00 0.44 -1.61 0.00 0.00 179.24 178.16 1xed h ASP 86 N 0.49 0.00 -2.61 2.28 3.32 -1.31 -3.43 116.42 115.17 1xed h ASP 86 Ca 0.42 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.93 1xed h ASP 86 Cb 0.61 0.00 0.06 0.00 0.22 0.00 0.00 39.33 40.22 1xed h ASP 86 CO -0.38 0.00 0.96 -1.20 -1.72 0.00 0.00 179.24 176.90 1xed n SER 87 N -2.37 3.81 0.00 6.45 7.64 0.12 -4.84 113.62 124.43 1xed n SER 87 Ca -0.01 1.07 0.00 0.00 1.01 0.00 0.00 58.87 60.94 1xed n SER 87 Cb 0.07 -1.55 0.00 0.00 -1.01 0.00 0.00 64.21 61.73 1xed n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xed n GLY 88 N 3.76 -1.23 3.58 0.23 0.00 0.61 -5.00 105.19 107.13 1xed n GLY 88 Ca 0.16 -1.12 -0.34 0.00 0.00 0.00 0.00 46.02 44.71 1xed n GLY 88 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xed s ARG 89 N -1.59 3.40 0.39 1.61 0.52 -1.26 -0.41 118.95 121.60 1xed s ARG 89 Ca 0.00 -0.47 0.05 0.00 -0.52 0.00 0.00 55.73 54.79 1xed s ARG 89 Cb 0.00 -2.88 -0.02 0.00 0.52 0.00 0.00 34.95 32.57 1xed s ARG 89 CO 0.00 0.43 0.19 0.71 0.02 0.00 0.00 175.30 176.65 1xed s TYR 90 N -0.13 1.77 -0.09 -0.53 1.51 0.95 -0.41 117.35 120.42 1xed s TYR 90 Ca 0.04 -1.46 -0.11 0.00 -1.01 0.00 0.00 57.07 54.52 1xed s TYR 90 Cb -0.13 -0.98 0.03 0.00 -0.11 0.00 0.00 41.96 40.77 1xed s TYR 90 CO 0.02 -0.54 0.30 0.15 -1.11 0.00 0.00 175.55 174.37 1xed s LYS 91 N -3.58 0.43 -0.05 -0.62 1.02 0.00 -0.51 119.74 116.42 1xed s LYS 91 Ca 0.29 0.26 0.06 0.00 0.02 0.00 0.00 55.97 56.60 1xed s LYS 91 Cb 0.02 0.20 -0.02 0.00 -0.52 0.00 0.00 37.83 37.51 1xed s LYS 91 CO 0.20 -0.07 -0.22 0.00 -0.92 0.00 0.00 175.35 174.34 1xed n GLY 93 N 2.63 1.31 3.43 0.00 0.00 -0.69 -1.10 105.19 110.76 1xed n GLY 93 Ca -0.17 -1.15 -0.27 0.00 0.00 0.00 0.00 46.02 44.44 1xed n GLY 93 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xed s LEU 94 N 0.00 2.44 0.00 0.99 1.43 -0.82 -1.22 118.68 121.50 1xed s LEU 94 Ca 0.10 -0.86 0.00 0.00 -1.03 0.00 0.00 54.13 52.34 1xed s LEU 94 Cb -0.03 -1.18 0.00 0.00 0.03 0.00 0.00 46.19 45.02 1xed s LEU 94 CO 0.07 0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.38 1xed n GLY 95 N 0.27 0.16 3.63 -3.19 0.00 0.60 -4.48 105.19 102.19 1xed n GLY 95 Ca -0.13 -0.93 -0.47 0.00 0.00 0.00 0.00 46.02 44.49 1xed n GLY 95 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1xed n ILE 96 N 0.00 0.56 -0.57 -0.61 -5.35 -1.26 -4.74 119.36 107.39 1xed n ILE 96 Ca 0.00 -0.14 0.45 0.00 -0.27 0.00 0.00 62.75 62.79 1xed n ILE 96 Cb 0.00 -1.20 0.72 0.00 -1.74 0.00 0.00 39.64 37.42 1xed n ILE 96 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1xed n ASN 97 N 2.45 0.10 -0.79 7.28 5.15 -1.26 0.34 115.26 128.53 1xed n ASN 97 Ca 0.15 1.15 0.02 0.00 -0.60 0.00 0.00 54.58 55.30 1xed n ASN 97 Cb 0.27 -0.57 0.20 0.00 -0.53 0.00 0.00 39.78 39.15 1xed n ASN 97 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1xed n SER 98 N -4.24 2.27 0.00 1.20 3.41 -1.26 -4.57 113.62 110.43 1xed n SER 98 Ca 0.41 -3.69 0.09 0.00 -0.26 0.00 0.00 58.87 55.42 1xed n SER 98 Cb 1.73 -0.56 0.44 0.00 -0.26 0.00 0.00 64.21 65.56 1xed n SER 98 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1xed n ARG 99 N -1.11 0.16 -0.18 4.33 1.74 0.15 -4.86 116.66 116.90 1xed n ARG 99 Ca 0.25 0.14 0.00 0.00 -0.77 0.00 0.00 57.85 57.47 1xed n ARG 99 Cb 0.84 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.78 1xed n ARG 99 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xed n GLY 100 N 0.32 2.20 2.19 -0.13 0.00 -1.26 -4.90 105.19 103.62 1xed n GLY 100 Ca 0.07 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.92 1xed n GLY 100 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xed n LEU 101 N 0.00 5.32 0.00 0.99 4.77 -1.26 -4.83 117.00 121.99 1xed n LEU 101 Ca 0.00 -3.08 0.00 0.00 -0.03 0.00 0.00 56.01 52.90 1xed n LEU 101 Cb 0.00 -1.25 0.00 0.00 -2.33 0.00 0.00 43.42 39.84 1xed n LEU 101 CO 0.00 1.39 0.00 -1.54 -1.33 0.00 0.00 177.39 175.91 1xed n SER 102 N 2.98 1.37 -3.64 -1.43 3.41 -1.26 -1.95 113.62 113.10 1xed n SER 102 Ca 0.45 -0.21 -0.07 0.00 -0.26 0.00 0.00 58.87 58.78 1xed n SER 102 Cb 0.58 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.46 1xed n SER 102 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1xed s PHE 103 N 0.96 -0.93 0.14 7.33 5.36 -0.26 -4.49 117.98 126.08 1xed s PHE 103 Ca 0.00 1.92 -0.30 0.00 -0.96 0.00 0.00 56.93 57.59 1xed s PHE 103 Cb 0.00 0.53 -0.06 0.00 -0.34 0.00 0.00 43.02 43.15 1xed s PHE 103 CO 0.00 -0.46 0.96 -0.51 -1.46 0.00 0.00 175.22 173.75 1xed s ASP 104 N 1.37 7.52 -0.08 6.13 1.01 -1.26 -2.01 116.67 129.34 1xed s ASP 104 Ca -0.08 1.84 0.01 0.00 0.71 0.00 0.00 52.55 55.03 1xed s ASP 104 Cb -0.05 -2.59 0.02 0.00 1.01 0.00 0.00 42.92 41.31 1xed s ASP 104 CO -0.16 -0.03 -0.09 -0.69 0.21 0.00 0.00 175.17 174.41 1xed s VAL 105 N -0.24 1.00 -0.26 -1.27 1.01 0.33 -4.52 120.40 116.46 1xed s VAL 105 Ca 0.46 -0.35 -0.10 0.00 0.00 0.00 0.00 61.98 61.99 1xed s VAL 105 Cb -0.24 -0.97 -0.05 0.00 0.00 0.00 0.00 36.38 35.13 1xed s VAL 105 CO 0.31 0.34 0.15 -0.44 0.00 0.00 0.00 175.10 175.46 1xed s SER 106 N 1.08 5.86 -0.21 3.32 0.01 -0.54 -0.03 113.70 123.19 1xed s SER 106 Ca -0.07 -0.00 -0.05 0.00 1.31 0.00 0.00 55.95 57.13 1xed s SER 106 Cb -0.14 -2.07 -0.02 0.00 0.21 0.00 0.00 66.02 63.99 1xed s SER 106 CO -0.01 0.00 0.01 -0.22 0.41 0.00 0.00 173.24 173.43 1xed s LEU 107 N 1.42 3.25 -0.25 2.44 2.96 0.45 -0.31 118.68 128.64 1xed s LEU 107 Ca 0.07 -0.22 0.02 0.00 -0.22 0.00 0.00 54.13 53.78 1xed s LEU 107 Cb -0.15 -1.83 0.05 0.00 0.50 0.00 0.00 46.19 44.76 1xed s LEU 107 CO 0.07 0.04 -0.12 -0.70 -1.32 0.00 0.00 176.35 174.33 1xed s GLU 108 N 1.13 2.46 -0.45 1.98 2.56 0.28 -0.29 118.70 126.38 1xed s GLU 108 Ca 0.03 -1.20 -0.11 0.00 0.00 0.00 0.00 54.97 53.69 1xed s GLU 108 Cb -0.14 -2.86 0.09 0.00 2.00 0.00 0.00 34.13 33.22 1xed s GLU 108 CO 0.01 -0.49 0.32 0.08 -0.56 0.00 0.00 175.26 174.63 1xed s VAL 109 N 1.17 4.45 0.52 3.70 1.01 -1.26 -0.67 120.40 129.32 1xed s VAL 109 Ca -0.05 -1.44 -0.21 0.00 0.00 0.00 0.00 61.98 60.27 1xed s VAL 109 Cb -0.18 -3.77 -0.06 0.00 0.00 0.00 0.00 36.38 32.37 1xed s VAL 109 CO -0.06 -0.61 1.23 -0.76 0.00 0.00 0.00 175.10 174.90 1xed s LEU 110 N 1.46 3.87 0.51 3.92 1.43 0.18 -4.30 118.68 125.74 1xed s LEU 110 Ca 0.04 2.44 -0.20 0.00 -1.03 0.00 0.00 54.13 55.38 1xed s LEU 110 Cb -0.24 -4.36 -0.07 0.00 0.03 0.00 0.00 46.19 41.54 1xed s LEU 110 CO 0.02 -1.28 1.09 -0.70 0.23 0.00 0.00 176.35 175.71 1xed s GLU 111 N -2.95 3.57 0.00 1.70 2.12 -1.26 -1.09 118.70 120.79 1xed s GLU 111 Ca 0.70 1.51 0.00 0.00 0.36 0.00 0.00 54.97 57.54 1xed s GLU 111 Cb -0.32 -2.07 0.00 0.00 0.26 0.00 0.00 34.13 32.00 1xed s GLU 111 CO 0.37 -0.65 0.43 1.58 -0.54 0.00 0.00 175.26 176.46