#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1eef n PRO 2 N 0.00 0.31 0.00 0.00 -0.04 -1.26 -4.95 135.00 129.06 1eef n PRO 2 Ca 0.00 0.18 0.03 0.00 -0.04 0.00 0.00 63.50 63.67 1eef n PRO 2 Cb 0.00 -2.43 -0.04 0.00 -0.04 0.00 0.00 33.50 30.99 1eef n PRO 2 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1eef n GLN 3 N -2.98 4.59 -4.16 0.54 6.02 -1.26 -4.94 117.38 115.19 1eef n GLN 3 Ca 0.14 -0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 57.03 1eef n GLN 3 Cb 0.50 -0.84 -0.10 0.00 1.02 0.00 0.00 30.24 30.82 1eef n GLN 3 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1eef s THR 4 N -1.69 0.26 0.25 5.09 -4.23 -1.26 -5.05 115.64 109.01 1eef s THR 4 Ca 0.03 -1.91 -0.05 0.00 -1.18 0.00 0.00 61.69 58.59 1eef s THR 4 Cb 0.06 -1.95 0.17 0.00 1.34 0.00 0.00 72.50 72.11 1eef s THR 4 CO 0.30 -0.58 1.82 -0.29 -0.54 0.00 0.00 174.62 175.32 1eef h ILE 5 N 2.89 1.24 -0.37 2.99 2.10 -1.96 -1.04 117.51 123.37 1eef h ILE 5 Ca -0.35 -0.78 -0.03 0.00 1.08 0.00 0.00 64.86 64.78 1eef h ILE 5 Cb 1.19 0.42 -0.02 0.00 -1.09 0.00 0.00 36.82 37.33 1eef h ILE 5 CO 0.61 0.31 0.13 0.74 -1.08 0.00 0.00 178.15 178.86 1eef h THR 6 N 1.02 1.20 -0.03 2.19 2.02 -1.98 0.28 112.91 117.61 1eef h THR 6 Ca 0.23 -0.65 0.01 0.00 0.77 0.00 0.00 66.41 66.78 1eef h THR 6 Cb 0.22 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 1eef h THR 6 CO -0.02 0.23 -0.05 -0.08 0.37 0.00 0.00 175.52 175.97 1eef h GLU 7 N 0.44 -0.07 -0.32 6.66 4.81 -1.91 -1.04 114.58 123.15 1eef h GLU 7 Ca 0.12 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.34 1eef h GLU 7 Cb 0.23 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 1eef h GLU 7 CO -0.01 -0.05 0.13 1.25 -0.73 0.00 0.00 179.01 179.61 1eef h LEU 8 N -0.08 0.44 -1.48 1.64 6.46 -0.92 -2.97 115.31 118.40 1eef h LEU 8 Ca 0.03 -0.16 0.08 0.00 -0.12 0.00 0.00 57.88 57.71 1eef h LEU 8 Cb 0.12 -0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 39.89 1eef h LEU 8 CO -0.08 0.48 0.44 0.00 -0.62 0.00 0.00 178.44 178.66 1eef h SER 10 N 0.61 0.00 1.04 0.00 0.02 -1.03 -2.92 113.55 111.27 1eef h SER 10 Ca 0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 1eef h SER 10 Cb 0.36 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.90 1eef h SER 10 CO -0.09 0.00 0.00 -0.33 -1.14 0.00 0.00 176.83 175.27 1eef h GLU 11 N 0.00 0.00 -6.20 3.45 5.08 -1.42 -3.45 114.58 112.04 1eef h GLU 11 Ca -0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 1eef h GLU 11 Cb 0.36 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.55 1eef h GLU 11 CO 0.00 0.00 -0.54 0.71 -1.00 0.00 0.00 179.01 178.18 1eef s TYR 12 N -3.53 3.13 0.30 4.33 1.51 -1.10 -5.13 117.35 116.86 1eef s TYR 12 Ca 0.03 -0.07 -0.04 0.00 -1.01 0.00 0.00 57.07 55.98 1eef s TYR 12 Cb 0.09 -1.45 -0.05 0.00 -0.11 0.00 0.00 41.96 40.44 1eef s TYR 12 CO 0.52 0.52 0.55 1.03 -1.11 0.00 0.00 175.55 177.06 1eef s ARG 13 N -3.53 3.60 -1.77 -0.62 0.52 -1.26 -4.35 118.95 111.54 1eef s ARG 13 Ca 0.32 -0.05 0.00 0.00 -0.52 0.00 0.00 55.73 55.48 1eef s ARG 13 Cb -0.09 -2.65 0.00 0.00 0.52 0.00 0.00 34.95 32.73 1eef s ARG 13 CO 0.24 0.20 0.00 0.09 0.02 0.00 0.00 175.30 175.85 1eef n ASN 14 N -1.10 -5.25 -4.43 0.23 3.02 -1.26 -4.99 115.26 101.47 1eef n ASN 14 Ca -0.02 0.24 -0.23 0.00 -0.03 0.00 0.00 54.58 54.53 1eef n ASN 14 Cb 0.54 -4.34 -0.10 0.00 -0.61 0.00 0.00 39.78 35.27 1eef n ASN 14 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1eef s THR 15 N -2.79 2.28 0.20 3.41 -4.23 -1.26 -0.59 115.64 112.67 1eef s THR 15 Ca 0.00 -2.28 -0.22 0.00 -1.18 0.00 0.00 61.69 58.01 1eef s THR 15 Cb 0.00 -2.20 0.05 0.00 1.34 0.00 0.00 72.50 71.70 1eef s THR 15 CO 0.00 -0.38 0.63 0.00 -0.54 0.00 0.00 174.62 174.33 1eef s GLN 16 N -3.35 1.43 -0.11 3.99 -2.07 -0.57 -4.90 119.66 114.08 1eef s GLN 16 Ca 0.26 -0.64 -0.10 0.00 -1.82 0.00 0.00 55.36 53.06 1eef s GLN 16 Cb -0.05 0.59 -0.05 0.00 -1.09 0.00 0.00 33.01 32.42 1eef s GLN 16 CO 0.12 -0.63 0.21 0.42 -1.32 0.00 0.00 175.29 174.09 1eef s ILE 17 N -3.81 5.38 -0.15 3.63 -1.09 -1.26 -1.32 121.20 122.57 1eef s ILE 17 Ca 0.04 0.37 0.02 0.00 -2.23 0.00 0.00 60.65 58.85 1eef s ILE 17 Cb -0.02 -3.50 0.01 0.00 -1.58 0.00 0.00 42.46 37.37 1eef s ILE 17 CO -0.07 0.56 -0.21 -0.31 -1.23 0.00 0.00 174.94 173.69 1eef s TYR 18 N -0.70 2.67 -0.46 3.97 1.51 0.08 -4.97 117.35 119.45 1eef s TYR 18 Ca 0.16 -1.44 -0.24 0.00 -1.01 0.00 0.00 57.07 54.53 1eef s TYR 18 Cb -0.13 -1.83 0.03 0.00 -0.11 0.00 0.00 41.96 39.91 1eef s TYR 18 CO 0.05 -0.69 0.87 0.99 -1.11 0.00 0.00 175.55 175.66 1eef s THR 19 N 1.02 4.54 -0.16 -0.71 2.01 -1.26 -1.18 115.64 119.91 1eef s THR 19 Ca -0.02 0.62 -0.16 0.00 0.31 0.00 0.00 61.69 62.44 1eef s THR 19 Cb -0.14 -4.39 -0.12 0.00 0.01 0.00 0.00 72.50 67.85 1eef s THR 19 CO -0.06 -0.79 0.15 0.40 -0.69 0.00 0.00 174.62 173.63 1eef h ILE 20 N 6.04 0.64 -6.56 1.82 1.08 -0.44 -3.49 117.51 116.60 1eef h ILE 20 Ca -0.24 -1.67 -0.51 0.00 -0.39 0.00 0.00 64.86 62.05 1eef h ILE 20 Cb 1.08 1.39 -0.07 0.00 -3.07 0.00 0.00 36.82 36.15 1eef h ILE 20 CO 1.00 0.22 -0.89 -3.20 -0.69 0.00 0.00 178.15 174.58 1eef n ASN 21 N -4.57 -0.31 -3.53 1.72 4.05 0.28 -4.93 115.26 107.97 1eef n ASN 21 Ca -0.16 -1.03 -0.09 0.00 0.45 0.00 0.00 54.58 53.75 1eef n ASN 21 Cb 0.42 -2.91 -0.02 0.00 1.23 0.00 0.00 39.78 38.50 1eef n ASN 21 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1eef s ASP 22 N -4.33 -0.39 0.52 1.20 2.15 -0.76 -4.91 116.67 110.15 1eef s ASP 22 Ca 0.03 -0.08 -0.08 0.00 0.43 0.00 0.00 52.55 52.85 1eef s ASP 22 Cb -0.02 0.48 -0.04 0.00 -0.30 0.00 0.00 42.92 43.04 1eef s ASP 22 CO 0.90 -0.79 0.87 -1.59 -0.17 0.00 0.00 175.17 174.38 1eef s LYS 23 N -3.36 3.58 0.25 4.34 -2.85 -1.26 0.18 119.74 120.62 1eef s LYS 23 Ca 0.05 0.41 -0.30 0.00 -1.00 0.00 0.00 55.97 55.13 1eef s LYS 23 Cb -0.01 -2.28 -0.10 0.00 -2.06 0.00 0.00 37.83 33.38 1eef s LYS 23 CO -0.08 -0.31 1.36 0.42 0.10 0.00 0.00 175.35 176.84 1eef s ILE 24 N -2.86 2.90 -0.12 3.79 1.01 -1.26 -4.76 121.20 119.90 1eef s ILE 24 Ca 0.50 0.78 -0.26 0.00 0.00 0.00 0.00 60.65 61.67 1eef s ILE 24 Cb -0.10 -3.49 -0.27 0.00 0.01 0.00 0.00 42.46 38.60 1eef s ILE 24 CO 0.47 0.13 0.75 0.25 0.00 0.00 0.00 174.94 176.54 1eef h LEU 25 N 4.82 0.14 -8.03 2.97 5.85 -0.53 -3.48 115.31 117.06 1eef h LEU 25 Ca -0.46 -0.94 -0.16 0.00 0.84 0.00 0.00 57.88 57.16 1eef h LEU 25 Cb 1.22 -0.05 -0.20 0.00 0.37 0.00 0.00 40.66 42.00 1eef h LEU 25 CO 0.75 1.17 -0.70 -0.94 -0.34 0.00 0.00 178.44 178.39 1eef s SER 26 N -6.51 0.29 -0.07 1.25 1.04 -1.15 -4.97 113.70 103.58 1eef s SER 26 Ca -0.18 -0.59 0.02 0.00 0.48 0.00 0.00 55.95 55.68 1eef s SER 26 Cb -0.01 0.12 0.01 0.00 0.10 0.00 0.00 66.02 66.24 1eef s SER 26 CO 0.72 -0.35 -0.13 -0.47 0.98 0.00 0.00 173.24 173.99 1eef s TYR 27 N -1.89 1.60 -0.05 5.02 6.14 -1.26 -2.10 117.35 124.81 1eef s TYR 27 Ca -0.12 -0.61 0.03 0.00 0.64 0.00 0.00 57.07 57.01 1eef s TYR 27 Cb -0.07 -1.16 0.00 0.00 0.42 0.00 0.00 41.96 41.16 1eef s TYR 27 CO -0.03 -0.31 -0.14 0.99 0.64 0.00 0.00 175.55 176.71 1eef s THR 28 N 0.67 1.22 -0.05 4.34 2.01 0.32 -4.99 115.64 119.16 1eef s THR 28 Ca -0.14 -0.57 0.02 0.00 0.31 0.00 0.00 61.69 61.30 1eef s THR 28 Cb -0.16 -1.07 0.02 0.00 0.01 0.00 0.00 72.50 71.29 1eef s THR 28 CO 0.04 0.36 -0.08 -0.70 -0.69 0.00 0.00 174.62 173.55 1eef s GLU 29 N 0.28 1.18 -0.03 4.92 2.12 -1.26 -0.57 118.70 125.34 1eef s GLU 29 Ca -0.08 -0.25 0.05 0.00 0.36 0.00 0.00 54.97 55.06 1eef s GLU 29 Cb -0.12 -1.06 -0.01 0.00 0.26 0.00 0.00 34.13 33.20 1eef s GLU 29 CO 0.02 -0.01 -0.19 0.45 -0.54 0.00 0.00 175.26 174.99 1eef s SER 30 N 0.72 2.31 -0.02 -1.70 0.15 -0.33 -4.99 113.70 109.85 1eef s SER 30 Ca -0.12 -0.37 0.08 0.00 0.70 0.00 0.00 55.95 56.25 1eef s SER 30 Cb -0.14 -0.43 0.23 0.00 -1.71 0.00 0.00 66.02 63.96 1eef s SER 30 CO 0.02 0.21 1.19 1.15 1.20 0.00 0.00 173.24 177.00 1eef n MET 31 N 2.83 2.86 -1.95 5.44 0.00 -1.26 -2.53 117.12 122.51 1eef n MET 31 Ca -0.16 -1.96 -0.41 0.00 0.00 0.00 0.00 57.70 55.17 1eef n MET 31 Cb 0.53 -1.24 -0.02 0.00 0.00 0.00 0.00 33.22 32.49 1eef n MET 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1eef s ALA 32 N -1.19 3.65 0.11 3.17 0.00 -1.26 -4.84 121.76 121.40 1eef s ALA 32 Ca 0.18 1.39 -0.35 0.00 0.00 0.00 0.00 51.96 53.17 1eef s ALA 32 Cb 0.10 -3.58 -0.16 0.00 0.00 0.00 0.00 23.12 19.48 1eef s ALA 32 CO 0.10 -0.81 1.30 0.41 0.00 0.00 0.00 175.76 176.76 1eef n GLY 33 N 2.07 0.37 3.32 0.00 0.00 -1.26 -0.68 105.19 109.00 1eef n GLY 33 Ca 0.07 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.74 1eef n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1eef n LYS 34 N 2.33 -0.12 -2.58 1.61 4.76 -1.26 -4.79 118.16 118.10 1eef n LYS 34 Ca 0.17 0.03 -0.08 0.00 -2.87 0.00 0.00 58.31 55.57 1eef n LYS 34 Cb 0.21 -3.47 0.04 0.00 -1.84 0.00 0.00 35.03 29.97 1eef n LYS 34 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1eef n ARG 35 N -1.89 2.31 -2.64 1.97 5.12 0.14 -4.98 116.66 116.69 1eef n ARG 35 Ca 0.00 -3.72 -0.42 0.00 -1.93 0.00 0.00 57.85 51.79 1eef n ARG 35 Cb 0.03 -1.81 -0.03 0.00 -1.16 0.00 0.00 32.46 29.49 1eef n ARG 35 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1eef s GLU 36 N -3.73 3.50 0.37 5.56 8.01 -1.17 -4.31 118.70 126.93 1eef s GLU 36 Ca 0.35 -1.08 -0.07 0.00 0.01 0.00 0.00 54.97 54.18 1eef s GLU 36 Cb 0.35 -5.04 0.03 0.00 -4.31 0.00 0.00 34.13 25.16 1eef s GLU 36 CO -0.02 -2.11 0.61 0.00 0.01 0.00 0.00 175.26 173.76 1eef s MET 37 N 4.66 2.10 -0.01 1.61 0.23 -1.05 -4.25 119.30 122.59 1eef s MET 37 Ca 0.41 -1.68 0.03 0.00 -1.03 0.00 0.00 55.69 53.42 1eef s MET 37 Cb -0.03 0.52 -0.01 0.00 -1.53 0.00 0.00 34.83 33.78 1eef s MET 37 CO -0.05 -0.92 -0.09 0.08 -2.03 0.00 0.00 175.02 172.01 1eef s VAL 38 N -2.62 0.73 -0.06 5.16 1.01 -1.23 -1.18 120.40 122.20 1eef s VAL 38 Ca 0.25 -0.39 0.04 0.00 0.00 0.00 0.00 61.98 61.88 1eef s VAL 38 Cb -0.02 -0.62 0.00 0.00 0.00 0.00 0.00 36.38 35.74 1eef s VAL 38 CO 0.18 0.21 -0.18 -0.63 0.00 0.00 0.00 175.10 174.67 1eef s ILE 39 N -0.19 1.58 0.13 2.22 1.01 0.26 -1.49 121.20 124.72 1eef s ILE 39 Ca 0.03 -0.77 0.08 0.00 0.00 0.00 0.00 60.65 59.99 1eef s ILE 39 Cb -0.04 -1.37 -0.04 0.00 0.01 0.00 0.00 42.46 41.02 1eef s ILE 39 CO -0.00 0.45 -0.20 0.27 0.00 0.00 0.00 174.94 175.46 1eef s ILE 40 N 0.24 1.77 0.13 2.92 -4.36 -0.43 -0.52 121.20 120.96 1eef s ILE 40 Ca -0.10 -1.71 0.03 0.00 -0.26 0.00 0.00 60.65 58.60 1eef s ILE 40 Cb -0.14 -1.69 -0.04 0.00 1.25 0.00 0.00 42.46 41.83 1eef s ILE 40 CO 0.04 -0.17 -0.06 0.42 0.24 0.00 0.00 174.94 175.42 1eef s THR 41 N -1.54 0.86 0.09 8.37 -4.23 -0.89 -1.26 115.64 117.04 1eef s THR 41 Ca 0.11 -1.99 0.07 0.00 -1.18 0.00 0.00 61.69 58.69 1eef s THR 41 Cb -0.08 -1.85 -0.03 0.00 1.34 0.00 0.00 72.50 71.87 1eef s THR 41 CO 0.05 -0.73 -0.17 -0.36 -0.54 0.00 0.00 174.62 172.87 1eef s PHE 42 N -3.52 1.50 0.62 3.99 0.08 -0.56 0.27 117.98 120.36 1eef s PHE 42 Ca 0.16 -0.44 0.26 0.00 0.12 0.00 0.00 56.93 57.03 1eef s PHE 42 Cb 0.05 -0.83 1.28 0.00 -0.57 0.00 0.00 43.02 42.94 1eef s PHE 42 CO -0.01 0.13 1.71 -0.22 -0.10 0.00 0.00 175.22 176.74 1eef h LYS 43 N 4.16 0.00 0.00 0.44 3.64 -1.89 0.31 116.57 123.23 1eef h LYS 43 Ca -0.43 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.94 1eef h LYS 43 Cb 1.19 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1eef h LYS 43 CO 0.40 0.00 -0.03 0.66 -2.27 0.00 0.00 179.45 178.21 1eef h SER 44 N 0.00 0.00 0.00 4.20 4.64 -1.98 -3.45 113.55 116.96 1eef h SER 44 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1eef h SER 44 Cb 1.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.52 1eef h SER 44 CO -0.00 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 176.60 1eef n GLY 45 N -0.94 1.26 3.77 -0.77 0.00 0.11 -5.08 105.19 103.53 1eef n GLY 45 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 1eef n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1eef s GLU 46 N -0.71 4.33 0.02 1.61 0.41 -1.24 -4.84 118.70 118.27 1eef s GLU 46 Ca 0.00 2.07 0.06 0.00 -0.41 0.00 0.00 54.97 56.69 1eef s GLU 46 Cb 0.00 -3.00 -0.02 0.00 -1.78 0.00 0.00 34.13 29.33 1eef s GLU 46 CO 0.00 -0.16 -0.19 0.99 -0.49 0.00 0.00 175.26 175.41 1eef s THR 47 N -1.20 1.48 0.06 3.63 2.01 -1.26 -1.49 115.64 118.87 1eef s THR 47 Ca 0.50 -0.97 -0.05 0.00 0.31 0.00 0.00 61.69 61.48 1eef s THR 47 Cb -0.37 -1.27 -0.02 0.00 0.01 0.00 0.00 72.50 70.86 1eef s THR 47 CO 0.48 0.27 0.08 -0.36 -0.69 0.00 0.00 174.62 174.40 1eef s PHE 48 N -0.63 0.29 0.15 4.92 0.08 -0.39 -3.97 117.98 118.44 1eef s PHE 48 Ca 0.06 -0.72 0.03 0.00 0.12 0.00 0.00 56.93 56.43 1eef s PHE 48 Cb -0.08 -0.20 -0.05 0.00 -0.57 0.00 0.00 43.02 42.12 1eef s PHE 48 CO 0.01 -0.42 -0.06 1.14 -0.10 0.00 0.00 175.22 175.78 1eef s GLN 49 N -3.40 1.05 -0.30 0.44 -2.07 -0.41 -1.31 119.66 113.65 1eef s GLN 49 Ca 0.02 -1.47 -0.06 0.00 -1.82 0.00 0.00 55.36 52.03 1eef s GLN 49 Cb 0.04 -0.47 0.02 0.00 -1.09 0.00 0.00 33.01 31.50 1eef s GLN 49 CO -0.08 -0.00 0.07 0.08 -1.32 0.00 0.00 175.29 174.03 1eef s VAL 50 N -3.46 3.75 0.74 3.63 1.01 -0.56 -1.04 120.40 124.47 1eef s VAL 50 Ca 0.18 -0.89 -0.15 0.00 0.00 0.00 0.00 61.98 61.12 1eef s VAL 50 Cb 0.04 -2.99 0.03 0.00 0.00 0.00 0.00 36.38 33.46 1eef s VAL 50 CO 0.01 0.01 1.15 -0.62 0.00 0.00 0.00 175.10 175.65 1eef n GLU 51 N 4.82 0.55 -1.94 2.72 1.02 -1.26 -3.56 120.64 122.99 1eef n GLU 51 Ca -0.14 0.25 -0.41 0.00 -0.02 0.00 0.00 57.16 56.84 1eef n GLU 51 Cb 0.47 -2.39 -0.02 0.00 -0.02 0.00 0.00 31.44 29.48 1eef n GLU 51 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1eef s VAL 52 N -1.82 2.42 0.28 2.62 1.01 -1.26 -4.89 120.40 118.77 1eef s VAL 52 Ca 0.76 0.38 -0.30 0.00 0.00 0.00 0.00 61.98 62.82 1eef s VAL 52 Cb -0.33 -3.24 -0.12 0.00 0.00 0.00 0.00 36.38 32.68 1eef s VAL 52 CO 0.48 0.07 1.51 -2.65 0.00 0.00 0.00 175.10 174.52 1eef n PRO 53 N 1.53 2.45 -1.83 2.72 -0.02 -1.26 -4.95 135.00 133.64 1eef n PRO 53 Ca 0.04 0.87 -0.02 0.00 -2.02 0.00 0.00 63.50 62.37 1eef n PRO 53 Cb 0.40 -2.60 -0.00 0.00 -0.02 0.00 0.00 33.50 31.27 1eef n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1eef n GLY 54 N 2.02 2.77 0.33 -1.23 0.00 -1.26 -5.02 105.19 102.80 1eef n GLY 54 Ca 0.09 -1.34 0.21 0.00 0.00 0.00 0.00 46.02 44.98 1eef n GLY 54 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1eef h SER 55 N 0.30 0.00 1.03 1.61 4.64 -2.03 -1.44 113.55 117.66 1eef h SER 55 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1eef h SER 55 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1eef h SER 55 CO 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.02 1eef n GLN 56 N -3.21 0.21 -3.77 4.77 0.00 -1.26 -4.80 117.38 109.31 1eef n GLN 56 Ca -0.03 0.31 -0.32 0.00 0.00 0.00 0.00 57.00 56.97 1eef n GLN 56 Cb 0.11 -1.81 -0.05 0.00 0.00 0.00 0.00 30.24 28.49 1eef n GLN 56 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 1eef s HIS 57 N -3.20 3.51 0.48 2.61 3.76 -0.54 -5.10 115.29 116.80 1eef s HIS 57 Ca 0.07 0.46 0.03 0.00 -0.15 0.00 0.00 55.06 55.48 1eef s HIS 57 Cb 0.11 -1.92 0.02 0.00 1.11 0.00 0.00 32.58 31.89 1eef s HIS 57 CO 0.48 0.53 0.68 0.96 -0.85 0.00 0.00 174.74 176.53 1eef s ILE 58 N -1.53 3.13 0.24 0.60 -4.36 -1.26 -4.92 121.20 113.11 1eef s ILE 58 Ca 0.36 -0.75 -0.05 0.00 -0.26 0.00 0.00 60.65 59.95 1eef s ILE 58 Cb -0.13 -3.13 0.22 0.00 1.25 0.00 0.00 42.46 40.67 1eef s ILE 58 CO 0.24 -0.08 1.85 0.44 0.24 0.00 0.00 174.94 177.63 1eef h ASP 59 N 0.35 0.82 0.20 4.36 3.32 -1.99 -1.01 116.42 122.48 1eef h ASP 59 Ca -0.43 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.64 1eef h ASP 59 Cb 1.28 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.68 1eef h ASP 59 CO 0.51 0.52 0.00 0.77 -1.72 0.00 0.00 179.24 179.32 1eef h SER 60 N 0.95 0.00 1.41 6.45 4.64 -2.05 -1.59 113.55 123.36 1eef h SER 60 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 1eef h SER 60 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1eef h SER 60 CO -0.18 0.00 -0.23 1.56 -0.87 0.00 0.00 176.83 177.10 1eef h GLN 61 N 0.00 0.00 0.04 4.77 4.20 -1.56 -3.38 115.11 119.18 1eef h GLN 61 Ca 0.00 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.74 1eef h GLN 61 Cb 0.10 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.83 1eef h GLN 61 CO 0.00 0.00 -0.32 0.87 -0.67 0.00 0.00 178.83 178.71 1eef h LYS 62 N 0.00 -0.47 -0.21 1.46 1.79 -1.35 0.12 116.57 117.92 1eef h LYS 62 Ca 0.00 0.03 -0.10 0.00 -2.18 0.00 0.00 60.65 58.40 1eef h LYS 62 Cb 0.82 0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.56 1eef h LYS 62 CO 0.00 -0.32 -0.32 -0.22 -1.08 0.00 0.00 179.45 177.52 1eef h LYS 63 N -0.49 0.42 -0.83 3.15 3.64 -1.78 -2.96 116.57 117.72 1eef h LYS 63 Ca 0.05 -0.17 -0.03 0.00 -1.27 0.00 0.00 60.65 59.22 1eef h LYS 63 Cb 0.56 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.33 1eef h LYS 63 CO -0.24 0.69 0.39 0.00 -2.27 0.00 0.00 179.45 178.02 1eef h ALA 64 N 1.31 1.07 -0.48 5.00 0.00 -1.62 0.43 119.26 124.98 1eef h ALA 64 Ca 0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1eef h ALA 64 Cb 0.74 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1eef h ALA 64 CO 0.06 0.65 0.27 0.82 0.00 0.00 0.00 179.25 181.04 1eef h ILE 65 N 1.19 1.17 -0.42 0.00 2.04 -0.61 -0.08 117.51 120.80 1eef h ILE 65 Ca 0.28 -0.42 -0.09 0.00 1.00 0.00 0.00 64.86 65.63 1eef h ILE 65 Cb 0.14 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 1eef h ILE 65 CO -0.03 0.18 -0.12 -0.33 0.00 0.00 0.00 178.15 177.84 1eef h GLU 66 N 0.64 0.75 -0.35 2.37 4.39 -1.27 -2.72 114.58 118.39 1eef h GLU 66 Ca 0.17 -0.25 -0.03 0.00 0.34 0.00 0.00 59.36 59.59 1eef h GLU 66 Cb 0.05 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 1eef h GLU 66 CO -0.03 0.85 0.12 -0.09 -1.16 0.00 0.00 179.01 178.70 1eef h ARG 67 N 0.68 0.54 -0.77 2.33 2.43 -0.62 -1.75 114.38 117.21 1eef h ARG 67 Ca 0.11 -0.11 0.06 0.00 -0.81 0.00 0.00 59.98 59.24 1eef h ARG 67 Cb 0.60 -0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 30.01 1eef h ARG 67 CO 0.04 0.55 0.46 1.98 -1.51 0.00 0.00 179.97 181.49 1eef h MET 68 N 0.42 0.81 -0.73 0.20 4.05 -0.84 0.23 114.93 119.07 1eef h MET 68 Ca 0.12 -0.05 -0.07 0.00 -0.28 0.00 0.00 59.70 59.42 1eef h MET 68 Cb 0.23 -0.18 -0.03 0.00 -0.80 0.00 0.00 31.60 30.81 1eef h MET 68 CO -0.01 0.53 0.20 0.87 0.23 0.00 0.00 176.91 178.74 1eef h LYS 69 N 0.83 1.16 -0.29 0.39 1.57 -1.25 -0.50 116.57 118.48 1eef h LYS 69 Ca 0.34 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1eef h LYS 69 Cb 0.19 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1eef h LYS 69 CO -0.18 1.00 0.19 -0.44 -0.57 0.00 0.00 179.45 179.44 1eef h ASP 70 N 1.10 0.33 -0.27 0.86 3.32 -0.24 -1.39 116.42 120.14 1eef h ASP 70 Ca 0.23 -0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.29 1eef h ASP 70 Cb 0.35 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 1eef h ASP 70 CO -0.00 0.25 0.12 0.74 -1.72 0.00 0.00 179.24 178.63 1eef h THR 71 N 0.39 0.96 -0.91 0.35 2.02 -0.23 -2.00 112.91 113.49 1eef h THR 71 Ca 0.11 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 67.20 1eef h THR 71 Cb -0.03 0.69 -0.04 0.00 -1.74 0.00 0.00 68.15 67.02 1eef h THR 71 CO -0.02 0.05 0.56 -0.07 0.37 0.00 0.00 175.52 176.41 1eef h LEU 72 N 0.25 1.08 -0.10 2.58 3.38 -0.85 0.73 115.31 122.39 1eef h LEU 72 Ca 0.12 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1eef h LEU 72 Cb 0.06 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 1eef h LEU 72 CO -0.10 0.82 0.04 -0.09 0.09 0.00 0.00 178.44 179.20 1eef h ARG 73 N 1.25 0.15 -0.11 1.13 2.43 -0.88 -0.09 114.38 118.26 1eef h ARG 73 Ca 0.33 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.36 1eef h ARG 73 Cb -0.08 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 1eef h ARG 73 CO -0.06 0.27 -0.45 0.97 -1.51 0.00 0.00 179.97 179.19 1eef h ILE 74 N -0.01 1.32 -0.56 1.20 6.09 -1.15 -1.30 117.51 123.10 1eef h ILE 74 Ca 0.03 -1.61 -0.05 0.00 -1.37 0.00 0.00 64.86 61.86 1eef h ILE 74 Cb 0.18 1.74 -0.02 0.00 0.47 0.00 0.00 36.82 39.19 1eef h ILE 74 CO -0.00 0.48 0.15 0.74 -3.07 0.00 0.00 178.15 176.45 1eef h THR 75 N 0.21 1.24 0.01 2.19 2.02 -0.72 -1.20 112.91 116.66 1eef h THR 75 Ca 0.01 -0.86 -0.00 0.00 0.77 0.00 0.00 66.41 66.34 1eef h THR 75 Cb 0.87 0.73 0.00 0.00 -1.74 0.00 0.00 68.15 68.02 1eef h THR 75 CO 0.07 0.32 -0.01 0.22 0.37 0.00 0.00 175.52 176.49 1eef h TYR 76 N 0.80 -0.01 -0.32 3.16 3.20 -0.73 -1.46 116.97 121.60 1eef h TYR 76 Ca 0.18 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 1eef h TYR 76 Cb 0.32 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.58 1eef h TYR 76 CO 0.02 0.26 0.14 -0.07 -1.64 0.00 0.00 178.16 176.86 1eef h LEU 77 N -0.28 0.39 -1.29 2.82 3.38 -1.07 -2.02 115.31 117.23 1eef h LEU 77 Ca -0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1eef h LEU 77 Cb 0.28 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1eef h LEU 77 CO 0.00 0.35 0.00 0.35 0.09 0.00 0.00 178.44 179.23 1eef n THR 78 N -4.42 0.29 -3.83 0.22 -2.24 -0.47 -4.93 114.28 98.90 1eef n THR 78 Ca 0.02 -0.42 -0.30 0.00 -2.27 0.00 0.00 64.05 61.08 1eef n THR 78 Cb 0.12 0.41 0.02 0.00 -2.10 0.00 0.00 70.33 68.79 1eef n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1eef n GLU 79 N 0.50 -5.15 -2.66 -0.78 1.02 -0.76 -4.92 120.64 107.89 1eef n GLU 79 Ca 0.16 0.59 -0.41 0.00 -0.02 0.00 0.00 57.16 57.47 1eef n GLU 79 Cb 0.36 -5.45 -0.04 0.00 -0.02 0.00 0.00 31.44 26.28 1eef n GLU 79 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1eef s THR 80 N -3.25 4.32 0.14 2.62 2.01 -0.60 -4.86 115.64 116.01 1eef s THR 80 Ca 0.63 1.92 -0.30 0.00 0.31 0.00 0.00 61.69 64.25 1eef s THR 80 Cb -0.32 -4.23 -0.07 0.00 0.01 0.00 0.00 72.50 67.89 1eef s THR 80 CO 0.78 0.29 1.25 -0.54 -0.69 0.00 0.00 174.62 175.71 1eef s LYS 81 N -0.03 4.43 -0.06 4.92 1.02 -1.26 -4.37 119.74 124.39 1eef s LYS 81 Ca 0.48 1.91 -0.13 0.00 0.02 0.00 0.00 55.97 58.25 1eef s LYS 81 Cb -0.25 -3.26 -0.05 0.00 -0.52 0.00 0.00 37.83 33.74 1eef s LYS 81 CO 0.31 -0.22 0.34 0.42 -0.92 0.00 0.00 175.35 175.28 1eef s ILE 82 N 0.48 5.18 0.00 2.17 1.01 0.13 -4.19 121.20 125.98 1eef s ILE 82 Ca 0.57 0.67 0.00 0.00 0.00 0.00 0.00 60.65 61.90 1eef s ILE 82 Cb -0.33 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.49 1eef s ILE 82 CO 0.34 0.54 0.00 -0.67 0.00 0.00 0.00 174.94 175.14 1eef n ASP 83 N 2.28 0.00 -4.40 3.58 -0.08 0.13 -0.56 116.55 117.49 1eef n ASP 83 Ca -0.14 0.09 -0.21 0.00 -1.51 0.00 0.00 54.79 53.02 1eef n ASP 83 Cb 0.53 -0.11 -0.10 0.00 2.34 0.00 0.00 41.12 43.77 1eef n ASP 83 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1eef s LYS 84 N -0.22 1.48 -0.03 -0.67 1.02 -1.19 0.24 119.74 120.36 1eef s LYS 84 Ca 0.00 -1.69 0.03 0.00 0.02 0.00 0.00 55.97 54.33 1eef s LYS 84 Cb 0.00 -1.32 0.00 0.00 -0.52 0.00 0.00 37.83 35.99 1eef s LYS 84 CO 0.00 0.19 -0.11 -0.51 -0.92 0.00 0.00 175.35 174.01 1eef s LEU 85 N -3.40 1.79 -0.22 3.17 1.43 -0.32 -1.63 118.68 119.49 1eef s LEU 85 Ca 0.26 -0.23 -0.08 0.00 -1.03 0.00 0.00 54.13 53.06 1eef s LEU 85 Cb -0.01 -0.66 -0.04 0.00 0.03 0.00 0.00 46.19 45.52 1eef s LEU 85 CO 0.10 0.08 0.08 0.00 0.23 0.00 0.00 176.35 176.84 1eef s VAL 87 N 1.09 1.02 -0.20 0.00 -7.23 -0.44 0.43 120.40 115.08 1eef s VAL 87 Ca 0.04 -1.84 -0.22 0.00 -1.81 0.00 0.00 61.98 58.15 1eef s VAL 87 Cb -0.14 -1.60 -0.02 0.00 0.56 0.00 0.00 36.38 35.18 1eef s VAL 87 CO 0.03 -0.66 0.68 0.26 -0.31 0.00 0.00 175.10 175.11 1eef s TRP 88 N -2.90 3.37 -2.01 2.82 0.51 0.14 -1.51 118.94 119.35 1eef s TRP 88 Ca 0.11 0.99 0.08 0.00 -2.12 0.00 0.00 56.10 55.16 1eef s TRP 88 Cb 0.00 -2.86 0.26 0.00 -0.81 0.00 0.00 33.47 30.05 1eef s TRP 88 CO -0.00 -0.22 1.21 0.27 -0.51 0.00 0.00 176.95 177.69 1eef n ASN 89 N 5.24 1.32 -1.76 2.95 0.23 0.25 -2.22 115.26 121.27 1eef n ASN 89 Ca 0.00 -1.98 -0.04 0.00 -0.53 0.00 0.00 54.58 52.04 1eef n ASN 89 Cb 0.49 -0.16 0.29 0.00 -2.08 0.00 0.00 39.78 38.32 1eef n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1eef n ASN 90 N 0.22 4.47 -4.04 0.53 6.94 -1.26 -4.93 115.26 117.19 1eef n ASN 90 Ca 0.09 -3.26 -0.10 0.00 -0.02 0.00 0.00 54.58 51.29 1eef n ASN 90 Cb 0.21 -0.71 -0.11 0.00 -2.36 0.00 0.00 39.78 36.82 1eef n ASN 90 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1eef s LYS 91 N -3.00 0.46 -0.18 -3.83 -0.14 -1.26 -5.08 119.74 106.71 1eef s LYS 91 Ca 0.52 -0.82 0.00 0.00 -1.36 0.00 0.00 55.97 54.31 1eef s LYS 91 Cb 0.42 0.01 0.04 0.00 -1.68 0.00 0.00 37.83 36.63 1eef s LYS 91 CO 0.11 -0.04 -0.07 0.99 -0.76 0.00 0.00 175.35 175.58 1eef s THR 92 N -2.10 1.32 1.02 2.17 2.01 -1.26 -2.74 115.64 116.05 1eef s THR 92 Ca -0.08 -0.77 -0.14 0.00 0.31 0.00 0.00 61.69 61.00 1eef s THR 92 Cb -0.05 -1.45 0.20 0.00 0.01 0.00 0.00 72.50 71.20 1eef s THR 92 CO -0.03 0.15 1.13 -2.16 -0.69 0.00 0.00 174.62 173.02 1eef s PRO 93 N 1.54 0.22 0.45 4.92 0.04 -1.26 -5.07 135.00 135.84 1eef s PRO 93 Ca 0.00 0.20 -0.25 0.00 0.04 0.00 0.00 61.00 60.99 1eef s PRO 93 Cb -0.16 -1.74 -0.09 0.00 0.04 0.00 0.00 34.50 32.56 1eef s PRO 93 CO -0.08 -2.80 1.38 0.09 0.04 0.00 0.00 177.00 175.63 1eef n ASN 94 N -4.17 3.04 -4.75 6.66 5.03 -1.11 -4.56 115.26 115.40 1eef n ASN 94 Ca 0.08 1.11 -0.35 0.00 0.87 0.00 0.00 54.58 56.29 1eef n ASN 94 Cb 0.59 -1.57 -0.08 0.00 -1.02 0.00 0.00 39.78 37.70 1eef n ASN 94 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1eef s SER 95 N -0.52 6.24 -0.00 6.41 0.15 -0.94 -1.29 113.70 123.76 1eef s SER 95 Ca 0.62 0.28 -0.30 0.00 0.70 0.00 0.00 55.95 57.24 1eef s SER 95 Cb -0.47 -2.09 -0.04 0.00 -1.71 0.00 0.00 66.02 61.71 1eef s SER 95 CO 0.57 0.20 1.22 -0.63 1.20 0.00 0.00 173.24 175.81 1eef s ILE 96 N 0.20 4.11 -0.19 6.45 1.01 -0.21 0.28 121.20 132.85 1eef s ILE 96 Ca 0.09 1.48 -0.01 0.00 0.00 0.00 0.00 60.65 62.21 1eef s ILE 96 Cb -0.11 -3.95 -0.11 0.00 0.01 0.00 0.00 42.46 38.29 1eef s ILE 96 CO -0.01 0.04 -0.19 0.00 0.00 0.00 0.00 174.94 174.79 1eef n ALA 97 N 4.71 1.62 -2.92 9.38 0.00 0.17 -4.88 120.51 128.59 1eef n ALA 97 Ca 0.10 -0.80 -0.11 0.00 0.00 0.00 0.00 53.44 52.64 1eef n ALA 97 Cb 0.46 0.10 -0.06 0.00 0.00 0.00 0.00 19.45 19.95 1eef n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1eef s ALA 98 N -2.37 -0.72 0.03 0.00 0.00 -0.95 -4.97 121.76 112.77 1eef s ALA 98 Ca -0.26 -0.12 0.01 0.00 0.00 0.00 0.00 51.96 51.58 1eef s ALA 98 Cb 0.07 0.52 -0.02 0.00 0.00 0.00 0.00 23.12 23.69 1eef s ALA 98 CO 0.42 -0.54 -0.04 -1.50 0.00 0.00 0.00 175.76 174.09 1eef s ILE 99 N -3.37 0.26 0.01 0.00 2.07 -1.26 -0.77 121.20 118.14 1eef s ILE 99 Ca 0.01 -1.05 0.01 0.00 -1.41 0.00 0.00 60.65 58.21 1eef s ILE 99 Cb 0.02 -0.48 -0.01 0.00 0.13 0.00 0.00 42.46 42.11 1eef s ILE 99 CO -0.09 -0.51 -0.05 -0.94 -1.91 0.00 0.00 174.94 171.45 1eef s SER 100 N -1.64 0.52 -0.00 4.50 1.04 -0.64 -5.00 113.70 112.47 1eef s SER 100 Ca -0.12 -0.27 0.04 0.00 0.48 0.00 0.00 55.95 56.07 1eef s SER 100 Cb -0.08 0.00 -0.01 0.00 0.10 0.00 0.00 66.02 66.03 1eef s SER 100 CO -0.01 -0.08 -0.12 -0.04 0.98 0.00 0.00 173.24 173.97 1eef s MET 101 N -0.73 0.94 0.03 4.02 -1.94 -1.26 -0.70 119.30 119.65 1eef s MET 101 Ca -0.05 -0.45 0.02 0.00 -1.71 0.00 0.00 55.69 53.51 1eef s MET 101 Cb -0.05 -0.91 -0.02 0.00 2.01 0.00 0.00 34.83 35.86 1eef s MET 101 CO -0.00 0.25 -0.07 0.21 -0.01 0.00 0.00 175.02 175.39 1eef s LYS 102 N -0.36 0.50 0.00 2.03 2.20 -1.26 -4.88 119.74 117.98 1eef s LYS 102 Ca 0.04 -0.58 0.20 0.00 -0.36 0.00 0.00 55.97 55.27 1eef s LYS 102 Cb -0.05 -0.34 0.16 0.00 -1.51 0.00 0.00 37.83 36.09 1eef s LYS 102 CO -0.00 0.07 1.14 0.09 -0.36 0.00 0.00 175.35 176.29