#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1eef s PRO 2 N 0.00 1.79 0.00 0.00 0.04 -1.26 -4.96 135.00 130.62 1eef s PRO 2 Ca 0.00 1.63 0.12 0.00 0.04 0.00 0.00 61.00 62.80 1eef s PRO 2 Cb 0.00 -1.81 -0.10 0.00 0.04 0.00 0.00 34.50 32.63 1eef s PRO 2 CO 0.00 -2.07 0.58 1.04 0.04 0.00 0.00 177.00 176.59 1eef n GLN 3 N -3.28 2.65 -4.00 4.56 6.02 -1.26 -4.97 117.38 117.10 1eef n GLN 3 Ca 0.12 -0.18 -0.09 0.00 -0.01 0.00 0.00 57.00 56.84 1eef n GLN 3 Cb 0.51 -1.11 -0.08 0.00 1.02 0.00 0.00 30.24 30.59 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 -2.03 0.08 0.30 5.09 -4.23 -1.26 -5.04 115.64 108.55 1eef s THR 4 Ca 0.06 -1.50 0.04 0.00 -1.18 0.00 0.00 61.69 59.11 1eef s THR 4 Cb 0.10 -1.86 0.07 0.00 1.34 0.00 0.00 72.50 72.15 1eef s THR 4 CO 0.46 -0.36 1.74 -0.29 -0.54 0.00 0.00 174.62 175.63 1eef h ILE 5 N 2.63 1.26 -0.29 2.99 2.10 -1.95 -1.23 117.51 123.02 1eef h ILE 5 Ca -0.33 -1.26 -0.06 0.00 1.08 0.00 0.00 64.86 64.29 1eef h ILE 5 Cb 1.22 1.41 -0.01 0.00 -1.09 0.00 0.00 36.82 38.34 1eef h ILE 5 CO 0.51 0.39 -0.06 0.74 -1.08 0.00 0.00 178.15 178.66 1eef h THR 6 N 0.35 1.28 -0.00 2.19 2.02 -1.98 0.32 112.91 117.08 1eef h THR 6 Ca 0.05 -1.07 0.00 0.00 0.77 0.00 0.00 66.41 66.16 1eef h THR 6 Cb 0.66 1.38 -0.00 0.00 -1.74 0.00 0.00 68.15 68.45 1eef h THR 6 CO 0.05 0.34 -0.01 -0.33 0.37 0.00 0.00 175.52 175.94 1eef h GLU 7 N 0.32 -0.02 -0.46 6.66 5.08 -1.91 -1.75 114.58 122.49 1eef h GLU 7 Ca 0.08 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.48 1eef h GLU 7 Cb 0.53 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.75 1eef h GLU 7 CO 0.03 -0.02 0.23 1.25 -1.00 0.00 0.00 179.01 179.50 1eef h LEU 8 N -0.02 0.33 -1.37 1.33 6.46 -0.95 -2.35 115.31 118.74 1eef h LEU 8 Ca 0.01 0.03 0.03 0.00 -0.12 0.00 0.00 57.88 57.82 1eef h LEU 8 Cb 0.03 -0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 39.89 1eef h LEU 8 CO -0.02 0.23 0.45 0.00 -0.62 0.00 0.00 178.44 178.48 1eef n SER 10 N -4.45 0.00 -0.20 0.00 3.41 -0.68 -2.43 113.62 109.27 1eef n SER 10 Ca 0.08 0.35 0.15 0.00 -0.26 0.00 0.00 58.87 59.18 1eef n SER 10 Cb 0.10 -0.43 0.70 0.00 -0.26 0.00 0.00 64.21 64.32 1eef n SER 10 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1eef n GLU 11 N -1.43 1.14 -4.37 4.33 4.71 -0.55 -4.88 120.64 119.59 1eef n GLU 11 Ca 0.05 -0.41 -0.23 0.00 -0.01 0.00 0.00 57.16 56.57 1eef n GLU 11 Cb 0.18 -1.49 -0.11 0.00 -1.01 0.00 0.00 31.44 29.00 1eef n GLU 11 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 1eef s TYR 12 N -2.14 1.97 0.32 -0.32 1.51 -1.02 -5.15 117.35 112.52 1eef s TYR 12 Ca 0.39 -0.44 -0.02 0.00 -1.01 0.00 0.00 57.07 55.98 1eef s TYR 12 Cb 0.21 -0.94 -0.04 0.00 -0.11 0.00 0.00 41.96 41.07 1eef s TYR 12 CO 0.39 0.43 0.55 0.50 -1.11 0.00 0.00 175.55 176.31 1eef s ARG 13 N -3.03 3.55 -1.47 -0.62 6.06 -1.26 -4.29 118.95 117.89 1eef s ARG 13 Ca 0.20 -0.16 0.00 0.00 -2.50 0.00 0.00 55.73 53.27 1eef s ARG 13 Cb -0.05 -2.66 0.00 0.00 0.06 0.00 0.00 34.95 32.30 1eef s ARG 13 CO 0.09 0.18 0.00 0.09 -2.50 0.00 0.00 175.30 173.16 1eef n ASN 14 N -1.34 -4.73 -4.49 -2.12 5.03 -1.26 -4.96 115.26 101.39 1eef n ASN 14 Ca -0.03 0.18 -0.24 0.00 0.87 0.00 0.00 54.58 55.35 1eef n ASN 14 Cb 0.55 -3.73 -0.10 0.00 -1.02 0.00 0.00 39.78 35.48 1eef n ASN 14 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1eef s THR 15 N -2.67 2.26 0.07 3.41 -4.23 -1.26 -0.06 115.64 113.16 1eef s THR 15 Ca 0.00 -2.29 -0.26 0.00 -1.18 0.00 0.00 61.69 57.97 1eef s THR 15 Cb 0.00 -2.44 0.07 0.00 1.34 0.00 0.00 72.50 71.46 1eef s THR 15 CO 0.00 -0.32 0.61 0.00 -0.54 0.00 0.00 174.62 174.37 1eef s GLN 16 N -3.58 1.16 -0.15 3.99 -2.07 -0.27 -4.88 119.66 113.86 1eef s GLN 16 Ca 0.31 -0.18 -0.15 0.00 -1.82 0.00 0.00 55.36 53.52 1eef s GLN 16 Cb -0.01 0.54 -0.05 0.00 -1.09 0.00 0.00 33.01 32.40 1eef s GLN 16 CO 0.15 -0.45 0.32 0.42 -1.32 0.00 0.00 175.29 174.41 1eef s ILE 17 N -2.65 5.29 -0.22 3.63 -1.09 -1.26 -0.78 121.20 124.12 1eef s ILE 17 Ca -0.04 0.61 -0.05 0.00 -2.23 0.00 0.00 60.65 58.95 1eef s ILE 17 Cb -0.01 -3.66 -0.02 0.00 -1.58 0.00 0.00 42.46 37.20 1eef s ILE 17 CO -0.03 0.38 -0.02 -0.31 -1.23 0.00 0.00 174.94 173.73 1eef s TYR 18 N 0.49 2.99 -0.23 3.97 2.02 0.42 -4.97 117.35 122.05 1eef s TYR 18 Ca 0.18 -0.73 -0.21 0.00 -0.37 0.00 0.00 57.07 55.94 1eef s TYR 18 Cb -0.13 -2.11 -0.02 0.00 -0.40 0.00 0.00 41.96 39.29 1eef s TYR 18 CO 0.05 -0.44 0.64 0.99 -1.57 0.00 0.00 175.55 175.23 1eef s THR 19 N 1.36 4.99 -0.20 -0.71 2.01 -1.26 -0.96 115.64 120.86 1eef s THR 19 Ca 0.04 1.19 -0.16 0.00 0.31 0.00 0.00 61.69 63.07 1eef s THR 19 Cb -0.14 -3.95 -0.07 0.00 0.01 0.00 0.00 72.50 68.34 1eef s THR 19 CO -0.01 0.06 -0.32 -0.38 -0.69 0.00 0.00 174.62 173.28 1eef n ILE 20 N 4.95 1.50 -3.87 1.82 2.08 0.69 -5.00 119.36 121.53 1eef n ILE 20 Ca -0.01 0.02 -0.30 0.00 0.56 0.00 0.00 62.75 63.02 1eef n ILE 20 Cb 0.49 -2.24 0.01 0.00 -0.75 0.00 0.00 39.64 37.15 1eef n ILE 20 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1eef n ASN 21 N -4.42 -2.65 -3.54 4.38 3.02 0.16 -4.96 115.26 107.24 1eef n ASN 21 Ca -0.23 -1.06 -0.08 0.00 -0.03 0.00 0.00 54.58 53.18 1eef n ASN 21 Cb 0.59 -2.97 -0.02 0.00 -0.61 0.00 0.00 39.78 36.77 1eef n ASN 21 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1eef s ASP 22 N -3.92 -0.34 0.66 6.41 2.15 -0.95 -4.90 116.67 115.78 1eef s ASP 22 Ca 0.24 -0.07 -0.11 0.00 0.43 0.00 0.00 52.55 53.04 1eef s ASP 22 Cb -0.10 0.42 -0.01 0.00 -0.30 0.00 0.00 42.92 42.93 1eef s ASP 22 CO 0.89 -0.70 1.05 -1.59 -0.17 0.00 0.00 175.17 174.66 1eef s LYS 23 N -3.19 3.16 0.12 4.34 -2.85 -1.26 -0.50 119.74 119.56 1eef s LYS 23 Ca 0.06 0.53 -0.30 0.00 -1.00 0.00 0.00 55.97 55.26 1eef s LYS 23 Cb -0.01 -2.07 -0.07 0.00 -2.06 0.00 0.00 37.83 33.62 1eef s LYS 23 CO -0.07 -0.81 1.23 0.42 0.10 0.00 0.00 175.35 176.21 1eef s ILE 24 N -3.25 3.72 -0.10 3.79 1.01 -1.26 -4.75 121.20 120.35 1eef s ILE 24 Ca 0.56 1.32 -0.27 0.00 0.00 0.00 0.00 60.65 62.26 1eef s ILE 24 Cb -0.11 -3.84 -0.26 0.00 0.01 0.00 0.00 42.46 38.26 1eef s ILE 24 CO 0.52 0.15 0.88 0.25 0.00 0.00 0.00 174.94 176.74 1eef h LEU 25 N 6.12 0.09 -7.95 2.97 5.85 -1.32 -3.47 115.31 117.60 1eef h LEU 25 Ca -0.43 -0.90 -0.25 0.00 0.84 0.00 0.00 57.88 57.14 1eef h LEU 25 Cb 1.21 -0.03 -0.25 0.00 0.37 0.00 0.00 40.66 41.97 1eef h LEU 25 CO 0.79 0.98 -0.73 -0.94 -0.34 0.00 0.00 178.44 178.21 1eef s SER 26 N -6.27 0.45 -0.14 1.25 1.04 -1.15 -4.98 113.70 103.91 1eef s SER 26 Ca -0.18 -0.29 0.02 0.00 0.48 0.00 0.00 55.95 55.98 1eef s SER 26 Cb -0.01 0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.13 1eef s SER 26 CO 0.71 -0.11 -0.20 -0.47 0.98 0.00 0.00 173.24 174.15 1eef s TYR 27 N -0.76 2.69 -0.05 5.02 5.04 -1.26 -1.82 117.35 126.21 1eef s TYR 27 Ca -0.06 -1.20 0.05 0.00 -2.44 0.00 0.00 57.07 53.41 1eef s TYR 27 Cb -0.06 -1.82 -0.00 0.00 0.35 0.00 0.00 41.96 40.43 1eef s TYR 27 CO -0.00 -0.54 -0.19 0.99 -1.34 0.00 0.00 175.55 174.47 1eef s THR 28 N 0.73 1.57 -0.04 4.34 2.01 0.25 -5.00 115.64 119.50 1eef s THR 28 Ca -0.08 -0.79 0.01 0.00 0.31 0.00 0.00 61.69 61.13 1eef s THR 28 Cb -0.16 -1.34 0.02 0.00 0.01 0.00 0.00 72.50 71.03 1eef s THR 28 CO 0.00 0.45 -0.03 -0.70 -0.69 0.00 0.00 174.62 173.65 1eef s GLU 29 N 0.01 0.66 -0.03 4.92 2.12 -1.26 -1.01 118.70 124.10 1eef s GLU 29 Ca -0.04 -0.04 0.07 0.00 0.36 0.00 0.00 54.97 55.32 1eef s GLU 29 Cb -0.12 -0.73 -0.02 0.00 0.26 0.00 0.00 34.13 33.52 1eef s GLU 29 CO 0.03 -0.11 -0.24 0.45 -0.54 0.00 0.00 175.26 174.85 1eef s SER 30 N 0.99 2.93 -0.10 -1.70 0.15 -0.36 -4.98 113.70 110.62 1eef s SER 30 Ca -0.10 -0.47 0.14 0.00 0.70 0.00 0.00 55.95 56.22 1eef s SER 30 Cb -0.14 -0.53 0.33 0.00 -1.71 0.00 0.00 66.02 63.96 1eef s SER 30 CO -0.01 0.27 1.24 1.15 1.20 0.00 0.00 173.24 177.09 1eef n MET 31 N 2.69 2.39 -2.35 5.44 0.00 -1.26 -2.72 117.12 121.31 1eef n MET 31 Ca -0.17 -2.41 -0.41 0.00 0.00 0.00 0.00 57.70 54.72 1eef n MET 31 Cb 0.52 -1.50 -0.04 0.00 0.00 0.00 0.00 33.22 32.20 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 -2.25 3.44 0.02 3.17 0.00 -1.26 -4.85 121.76 120.04 1eef s ALA 32 Ca 0.29 1.01 -0.37 0.00 0.00 0.00 0.00 51.96 52.89 1eef s ALA 32 Cb 0.23 -3.38 -0.16 0.00 0.00 0.00 0.00 23.12 19.81 1eef s ALA 32 CO 0.07 -0.33 1.46 0.41 0.00 0.00 0.00 175.76 177.37 1eef n GLY 33 N 1.23 0.66 3.28 0.00 0.00 -1.26 -0.47 105.19 108.63 1eef n GLY 33 Ca 0.00 0.74 0.00 0.00 0.00 0.00 0.00 46.02 46.76 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 3.30 -0.04 -1.49 1.61 4.76 -1.26 -4.80 118.16 120.24 1eef n LYS 34 Ca 0.20 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.65 1eef n LYS 34 Cb 0.20 -3.22 0.09 0.00 -1.84 0.00 0.00 35.03 30.25 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 -1.98 1.26 -2.19 1.97 5.12 0.38 -4.97 116.66 116.25 1eef n ARG 35 Ca 0.00 -2.94 -0.31 0.00 -1.93 0.00 0.00 57.85 52.67 1eef n ARG 35 Cb 0.01 -1.07 -0.04 0.00 -1.16 0.00 0.00 32.46 30.19 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 -2.11 2.84 0.30 5.56 8.01 -1.12 -4.45 118.70 127.74 1eef s GLU 36 Ca 0.36 -0.49 -0.07 0.00 0.01 0.00 0.00 54.97 54.78 1eef s GLU 36 Cb 0.38 -5.12 0.00 0.00 -4.31 0.00 0.00 34.13 25.08 1eef s GLU 36 CO -0.09 -3.04 0.47 0.00 0.01 0.00 0.00 175.26 172.61 1eef s MET 37 N 6.45 1.76 0.00 1.61 0.23 -1.10 -4.21 119.30 124.04 1eef s MET 37 Ca 0.63 -1.56 0.04 0.00 -1.03 0.00 0.00 55.69 53.78 1eef s MET 37 Cb -0.05 0.45 -0.01 0.00 -1.53 0.00 0.00 34.83 33.69 1eef s MET 37 CO -0.03 -0.73 -0.14 0.08 -2.03 0.00 0.00 175.02 172.17 1eef s VAL 38 N -3.40 1.12 -0.06 5.16 1.01 -1.21 -1.23 120.40 121.79 1eef s VAL 38 Ca 0.28 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.59 1eef s VAL 38 Cb -0.00 -0.95 0.01 0.00 0.00 0.00 0.00 36.38 35.44 1eef s VAL 38 CO 0.15 0.25 -0.12 -0.63 0.00 0.00 0.00 175.10 174.75 1eef s ILE 39 N -0.44 1.10 0.16 2.22 1.01 -0.18 -1.42 121.20 123.66 1eef s ILE 39 Ca 0.05 -0.48 0.10 0.00 0.00 0.00 0.00 60.65 60.31 1eef s ILE 39 Cb -0.06 -1.00 -0.04 0.00 0.01 0.00 0.00 42.46 41.37 1eef s ILE 39 CO -0.00 0.34 -0.22 0.27 0.00 0.00 0.00 174.94 175.34 1eef s ILE 40 N 0.53 2.03 0.17 2.92 -4.36 -0.31 -0.58 121.20 121.59 1eef s ILE 40 Ca -0.12 -1.88 0.03 0.00 -0.26 0.00 0.00 60.65 58.43 1eef s ILE 40 Cb -0.14 -1.90 -0.05 0.00 1.25 0.00 0.00 42.46 41.62 1eef s ILE 40 CO 0.03 -0.16 -0.04 0.42 0.24 0.00 0.00 174.94 175.43 1eef s THR 41 N -1.66 0.91 0.12 8.37 -4.23 -0.76 -1.15 115.64 117.24 1eef s THR 41 Ca 0.16 -2.01 0.06 0.00 -1.18 0.00 0.00 61.69 58.71 1eef s THR 41 Cb -0.08 -2.02 -0.04 0.00 1.34 0.00 0.00 72.50 71.70 1eef s THR 41 CO 0.07 -0.58 -0.13 -0.36 -0.54 0.00 0.00 174.62 173.08 1eef s PHE 42 N -3.50 1.37 0.51 3.99 0.08 -0.35 -0.82 117.98 119.27 1eef s PHE 42 Ca 0.21 -0.57 0.33 0.00 0.12 0.00 0.00 56.93 57.01 1eef s PHE 42 Cb 0.05 -0.72 1.46 0.00 -0.57 0.00 0.00 43.02 43.24 1eef s PHE 42 CO 0.03 0.13 1.78 0.87 -0.10 0.00 0.00 175.22 177.93 1eef h LYS 43 N 3.46 0.09 0.00 0.44 1.57 -1.89 0.56 116.57 120.80 1eef h LYS 43 Ca -0.39 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 1eef h LYS 43 Cb 1.20 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1eef h LYS 43 CO 0.52 0.06 0.00 0.66 -0.57 0.00 0.00 179.45 180.12 1eef h SER 44 N 0.09 0.00 0.00 0.86 4.64 -1.98 -3.45 113.55 113.72 1eef h SER 44 Ca 0.60 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.92 1eef h SER 44 Cb 2.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.25 1eef h SER 44 CO -0.09 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.48 1eef n GLY 45 N -0.99 0.58 3.76 -0.77 0.00 0.20 -5.06 105.19 102.90 1eef n GLY 45 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.87 4.75 -0.03 1.61 2.02 -1.23 -4.84 118.70 120.12 1eef s GLU 46 Ca 0.00 1.41 0.05 0.00 0.02 0.00 0.00 54.97 56.45 1eef s GLU 46 Cb 0.00 -3.14 -0.01 0.00 0.10 0.00 0.00 34.13 31.09 1eef s GLU 46 CO 0.00 0.45 -0.17 0.99 0.02 0.00 0.00 175.26 176.55 1eef s THR 47 N -1.31 1.39 0.08 3.63 2.01 -1.26 -1.21 115.64 118.97 1eef s THR 47 Ca 0.43 -0.72 0.01 0.00 0.31 0.00 0.00 61.69 61.72 1eef s THR 47 Cb -0.24 -1.17 -0.04 0.00 0.01 0.00 0.00 72.50 71.06 1eef s THR 47 CO 0.29 0.40 -0.06 -0.36 -0.69 0.00 0.00 174.62 174.20 1eef s PHE 48 N -0.18 0.79 0.16 4.92 0.08 -0.30 -4.09 117.98 119.35 1eef s PHE 48 Ca 0.02 -0.87 0.05 0.00 0.12 0.00 0.00 56.93 56.25 1eef s PHE 48 Cb -0.09 -0.47 -0.05 0.00 -0.57 0.00 0.00 43.02 41.84 1eef s PHE 48 CO 0.01 -0.18 -0.10 1.14 -0.10 0.00 0.00 175.22 175.99 1eef s GLN 49 N -3.46 1.13 -0.30 0.44 -2.07 -0.27 -1.17 119.66 113.97 1eef s GLN 49 Ca 0.07 -1.50 -0.06 0.00 -1.82 0.00 0.00 55.36 52.06 1eef s GLN 49 Cb 0.03 -0.71 0.02 0.00 -1.09 0.00 0.00 33.01 31.26 1eef s GLN 49 CO -0.05 0.08 0.06 0.08 -1.32 0.00 0.00 175.29 174.14 1eef s VAL 50 N -3.28 3.75 0.71 3.63 1.01 -0.51 -0.40 120.40 125.32 1eef s VAL 50 Ca 0.19 -0.84 -0.16 0.00 0.00 0.00 0.00 61.98 61.17 1eef s VAL 50 Cb 0.02 -2.97 0.02 0.00 0.00 0.00 0.00 36.38 33.45 1eef s VAL 50 CO 0.02 0.04 1.25 -0.62 0.00 0.00 0.00 175.10 175.79 1eef n GLU 51 N 4.82 0.76 -1.88 2.72 1.02 -1.26 -3.33 120.64 123.49 1eef n GLU 51 Ca -0.14 0.32 -0.41 0.00 -0.02 0.00 0.00 57.16 56.91 1eef n GLU 51 Cb 0.47 -2.48 -0.01 0.00 -0.02 0.00 0.00 31.44 29.39 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 -1.66 2.26 0.13 2.62 1.01 -1.26 -4.87 120.40 118.64 1eef s VAL 52 Ca 0.79 0.24 -0.34 0.00 0.00 0.00 0.00 61.98 62.68 1eef s VAL 52 Cb -0.35 -3.15 -0.13 0.00 0.00 0.00 0.00 36.38 32.74 1eef s VAL 52 CO 0.44 0.05 1.63 -2.65 0.00 0.00 0.00 175.10 174.57 1eef n PRO 53 N 1.39 2.20 -3.51 2.72 -0.02 -1.26 -4.93 135.00 131.59 1eef n PRO 53 Ca 0.04 0.80 -0.14 0.00 -2.02 0.00 0.00 63.50 62.18 1eef n PRO 53 Cb 0.39 -2.58 -0.05 0.00 -0.02 0.00 0.00 33.50 31.24 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 3.57 3.37 0.35 -1.23 0.00 -1.26 -5.03 105.19 104.97 1eef n GLY 54 Ca 0.18 -1.89 0.18 0.00 0.00 0.00 0.00 46.02 44.48 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 1.26 0.00 0.96 1.61 4.64 -2.04 -1.60 113.55 118.38 1eef h SER 55 Ca -0.17 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.07 1eef h SER 55 Cb 0.79 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.87 1eef h SER 55 CO 0.26 0.00 -0.35 0.06 -0.87 0.00 0.00 176.83 175.93 1eef h GLN 56 N 0.00 0.00 -6.55 4.77 -0.00 -1.97 -3.45 115.11 107.91 1eef h GLN 56 Ca 0.12 0.00 -0.52 0.00 -0.00 0.00 0.00 58.65 58.26 1eef h GLN 56 Cb 0.65 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 28.11 1eef h GLN 56 CO -0.00 0.35 0.30 -1.01 -0.00 0.00 0.00 178.83 178.47 1eef s HIS 57 N -3.53 3.84 0.62 0.06 3.76 -0.60 -5.07 115.29 114.38 1eef s HIS 57 Ca 0.01 1.75 -0.05 0.00 -0.15 0.00 0.00 55.06 56.61 1eef s HIS 57 Cb 0.10 -2.97 0.03 0.00 1.11 0.00 0.00 32.58 30.86 1eef s HIS 57 CO 0.68 0.30 0.92 0.96 -0.85 0.00 0.00 174.74 176.75 1eef s ILE 58 N -0.36 3.04 0.31 0.60 -4.36 -1.26 -4.92 121.20 114.25 1eef s ILE 58 Ca 0.43 -0.19 0.04 0.00 -0.26 0.00 0.00 60.65 60.66 1eef s ILE 58 Cb -0.23 -3.24 0.30 0.00 1.25 0.00 0.00 42.46 40.54 1eef s ILE 58 CO 0.29 -0.23 1.85 0.44 0.24 0.00 0.00 174.94 177.52 1eef h ASP 59 N -0.28 0.83 -0.15 4.36 5.19 -1.99 -0.96 116.42 123.42 1eef h ASP 59 Ca -0.45 0.04 0.01 0.00 -0.62 0.00 0.00 57.03 56.02 1eef h ASP 59 Cb 1.28 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 40.66 1eef h ASP 59 CO 0.59 0.44 0.10 0.77 -3.12 0.00 0.00 179.24 178.02 1eef h SER 60 N 0.89 0.12 0.54 6.45 4.64 -2.02 -2.47 113.55 121.71 1eef h SER 60 Ca 0.48 -0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.57 1eef h SER 60 Cb 0.55 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1eef h SER 60 CO -0.24 0.09 -0.99 1.56 -0.87 0.00 0.00 176.83 176.38 1eef h GLN 61 N 0.15 0.27 -0.52 4.77 4.20 -1.54 -3.17 115.11 119.27 1eef h GLN 61 Ca 0.06 -0.34 0.10 0.00 0.06 0.00 0.00 58.65 58.53 1eef h GLN 61 Cb 0.06 0.11 -0.08 0.00 0.30 0.00 0.00 27.48 27.86 1eef h GLN 61 CO -0.01 1.07 0.02 0.87 -0.67 0.00 0.00 178.83 180.11 1eef h LYS 62 N 0.13 0.14 -0.58 1.46 1.57 -1.26 0.68 116.57 118.71 1eef h LYS 62 Ca -0.08 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.60 1eef h LYS 62 Cb 1.66 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.91 1eef h LYS 62 CO 0.16 0.09 -0.00 -0.22 -0.57 0.00 0.00 179.45 178.91 1eef h LYS 63 N 0.14 1.00 -0.20 3.15 3.64 -1.65 -2.73 116.57 119.93 1eef h LYS 63 Ca 0.26 -0.31 -0.09 0.00 -1.27 0.00 0.00 60.65 59.25 1eef h LYS 63 Cb 0.39 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1eef h LYS 63 CO -0.41 0.99 -0.26 0.00 -2.27 0.00 0.00 179.45 177.50 1eef h ALA 64 N 1.07 1.20 -0.34 5.00 0.00 -1.11 -2.39 119.26 122.68 1eef h ALA 64 Ca 0.17 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1eef h ALA 64 Cb 0.54 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1eef h ALA 64 CO 0.03 0.52 0.21 0.82 0.00 0.00 0.00 179.25 180.83 1eef h ILE 65 N 0.33 1.11 -0.55 0.00 2.04 0.60 -0.26 117.51 120.78 1eef h ILE 65 Ca 0.05 -0.24 -0.03 0.00 1.00 0.00 0.00 64.86 65.64 1eef h ILE 65 Cb 0.63 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 1eef h ILE 65 CO 0.05 0.11 0.20 -0.33 0.00 0.00 0.00 178.15 178.18 1eef h GLU 66 N 0.45 0.80 -0.47 2.37 4.39 -1.24 -2.10 114.58 118.78 1eef h GLU 66 Ca 0.12 -0.13 -0.08 0.00 0.34 0.00 0.00 59.36 59.62 1eef h GLU 66 Cb -0.01 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.48 1eef h GLU 66 CO -0.02 0.67 -0.01 -0.09 -1.16 0.00 0.00 179.01 178.40 1eef h ARG 67 N 0.79 0.83 -0.78 2.33 2.43 -0.94 -1.52 114.38 117.52 1eef h ARG 67 Ca 0.19 -0.27 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1eef h ARG 67 Cb 0.18 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.62 1eef h ARG 67 CO -0.01 0.89 0.50 1.98 -1.51 0.00 0.00 179.97 181.81 1eef h MET 68 N 0.68 1.04 -0.49 0.20 4.05 -0.71 0.21 114.93 119.91 1eef h MET 68 Ca 0.13 -0.07 -0.07 0.00 -0.28 0.00 0.00 59.70 59.41 1eef h MET 68 Cb 0.52 -0.23 -0.02 0.00 -0.80 0.00 0.00 31.60 31.07 1eef h MET 68 CO 0.03 0.70 0.01 0.87 0.23 0.00 0.00 176.91 178.74 1eef h LYS 69 N 1.06 0.81 -0.43 0.39 1.57 -1.07 -0.24 116.57 118.66 1eef h LYS 69 Ca 0.28 -0.22 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1eef h LYS 69 Cb -0.10 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 1eef h LYS 69 CO -0.06 0.81 0.19 -0.44 -0.57 0.00 0.00 179.45 179.39 1eef h ASP 70 N 0.76 0.58 -0.37 0.86 3.32 -0.45 -2.25 116.42 118.86 1eef h ASP 70 Ca 0.15 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 1eef h ASP 70 Cb 0.45 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 1eef h ASP 70 CO 0.02 0.56 0.17 0.74 -1.72 0.00 0.00 179.24 179.01 1eef h THR 71 N 0.55 1.18 -0.76 0.35 2.02 -0.27 -2.51 112.91 113.46 1eef h THR 71 Ca 0.15 -0.52 -0.01 0.00 0.77 0.00 0.00 66.41 66.80 1eef h THR 71 Cb 0.15 0.83 -0.04 0.00 -1.74 0.00 0.00 68.15 67.36 1eef h THR 71 CO -0.02 0.19 0.45 -0.07 0.37 0.00 0.00 175.52 176.44 1eef h LEU 72 N 0.45 0.91 -0.11 2.58 3.38 -0.81 -1.11 115.31 120.62 1eef h LEU 72 Ca 0.13 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1eef h LEU 72 Cb 0.14 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 1eef h LEU 72 CO -0.01 0.71 0.03 -0.09 0.09 0.00 0.00 178.44 179.17 1eef h ARG 73 N 1.05 0.16 -0.24 1.13 2.43 -1.24 -0.17 114.38 117.51 1eef h ARG 73 Ca 0.27 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.29 1eef h ARG 73 Cb -0.03 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 1eef h ARG 73 CO -0.05 0.31 -0.35 0.97 -1.51 0.00 0.00 179.97 179.35 1eef h ILE 74 N -0.02 1.29 -0.70 1.20 6.09 -1.26 -1.12 117.51 122.98 1eef h ILE 74 Ca 0.03 -1.46 -0.07 0.00 -1.37 0.00 0.00 64.86 62.00 1eef h ILE 74 Cb 0.22 1.48 -0.03 0.00 0.47 0.00 0.00 36.82 38.96 1eef h ILE 74 CO -0.00 0.46 0.18 0.74 -3.07 0.00 0.00 178.15 176.46 1eef h THR 75 N 0.44 1.26 0.13 2.19 2.02 -1.12 -1.25 112.91 116.58 1eef h THR 75 Ca 0.05 -0.96 -0.01 0.00 0.77 0.00 0.00 66.41 66.26 1eef h THR 75 Cb 0.81 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 1eef h THR 75 CO 0.07 0.37 -0.06 0.22 0.37 0.00 0.00 175.52 176.48 1eef h TYR 76 N 1.06 -0.16 -0.29 3.16 3.20 -0.61 -1.91 116.97 121.42 1eef h TYR 76 Ca 0.22 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.07 1eef h TYR 76 Cb 0.36 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.67 1eef h TYR 76 CO 0.03 0.09 0.10 -0.07 -1.64 0.00 0.00 178.16 176.67 1eef h LEU 77 N -0.40 0.37 -0.91 2.82 3.38 -1.03 -1.80 115.31 117.73 1eef h LEU 77 Ca -0.02 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1eef h LEU 77 Cb 0.32 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1eef h LEU 77 CO 0.03 0.36 -0.07 0.35 0.09 0.00 0.00 178.44 179.19 1eef n THR 78 N -4.40 0.00 -3.26 0.22 -2.24 -0.49 -4.94 114.28 99.17 1eef n THR 78 Ca 0.01 -0.24 -0.24 0.00 -2.27 0.00 0.00 64.05 61.32 1eef n THR 78 Cb 0.15 0.55 0.03 0.00 -2.10 0.00 0.00 70.33 68.95 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 0.04 -4.70 -2.47 -0.78 1.02 -0.68 -4.94 120.64 108.13 1eef n GLU 79 Ca 0.17 0.73 -0.40 0.00 -0.02 0.00 0.00 57.16 57.64 1eef n GLU 79 Cb 0.37 -5.56 -0.04 0.00 -0.02 0.00 0.00 31.44 26.18 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 -3.12 3.55 0.10 2.62 2.01 -0.80 -4.79 115.64 115.20 1eef s THR 80 Ca 0.39 1.50 -0.30 0.00 0.31 0.00 0.00 61.69 63.59 1eef s THR 80 Cb -0.19 -3.96 -0.06 0.00 0.01 0.00 0.00 72.50 68.31 1eef s THR 80 CO 0.48 0.34 1.11 -0.54 -0.69 0.00 0.00 174.62 175.32 1eef s LYS 81 N -1.19 4.53 -0.05 4.92 -0.14 -1.26 -4.37 119.74 122.17 1eef s LYS 81 Ca 0.46 1.67 -0.16 0.00 -1.36 0.00 0.00 55.97 56.58 1eef s LYS 81 Cb -0.32 -3.34 -0.05 0.00 -1.68 0.00 0.00 37.83 32.44 1eef s LYS 81 CO 0.40 -0.07 0.44 0.42 -0.76 0.00 0.00 175.35 175.78 1eef s ILE 82 N 0.50 5.08 0.00 2.17 1.01 0.35 -4.31 121.20 125.99 1eef s ILE 82 Ca 0.53 0.89 0.00 0.00 0.00 0.00 0.00 60.65 62.08 1eef s ILE 82 Cb -0.28 -3.76 0.00 0.00 0.01 0.00 0.00 42.46 38.43 1eef s ILE 82 CO 0.31 0.47 0.00 -0.67 0.00 0.00 0.00 174.94 175.05 1eef n ASP 83 N 2.60 0.00 -4.36 3.58 -0.08 -0.20 0.39 116.55 118.48 1eef n ASP 83 Ca -0.11 0.12 -0.20 0.00 -1.51 0.00 0.00 54.79 53.09 1eef n ASP 83 Cb 0.52 -0.16 -0.10 0.00 2.34 0.00 0.00 41.12 43.72 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 -0.32 1.38 -0.08 -0.67 1.02 -1.21 -0.22 119.74 119.65 1eef s LYS 84 Ca 0.00 -1.60 0.01 0.00 0.02 0.00 0.00 55.97 54.40 1eef s LYS 84 Cb 0.00 -1.23 0.02 0.00 -0.52 0.00 0.00 37.83 36.09 1eef s LYS 84 CO 0.00 0.21 -0.10 -0.51 -0.92 0.00 0.00 175.35 174.03 1eef s LEU 85 N -3.30 1.50 -0.23 3.17 1.02 -0.14 -1.30 118.68 119.40 1eef s LEU 85 Ca 0.23 -0.28 -0.13 0.00 0.02 0.00 0.00 54.13 53.97 1eef s LEU 85 Cb -0.02 -0.79 -0.04 0.00 0.02 0.00 0.00 46.19 45.36 1eef s LEU 85 CO 0.08 -0.01 0.27 0.00 0.02 0.00 0.00 176.35 176.70 1eef s VAL 87 N 1.31 0.89 -0.13 0.00 -7.23 0.04 0.05 120.40 115.34 1eef s VAL 87 Ca 0.12 -1.48 -0.25 0.00 -1.81 0.00 0.00 61.98 58.57 1eef s VAL 87 Cb -0.14 -1.17 -0.02 0.00 0.56 0.00 0.00 36.38 35.60 1eef s VAL 87 CO 0.07 -0.47 0.80 0.26 -0.31 0.00 0.00 175.10 175.45 1eef s TRP 88 N -2.04 3.48 -1.89 2.82 0.51 0.82 -1.11 118.94 121.53 1eef s TRP 88 Ca 0.01 1.27 0.16 0.00 -2.12 0.00 0.00 56.10 55.42 1eef s TRP 88 Cb -0.05 -2.95 0.47 0.00 -0.81 0.00 0.00 33.47 30.12 1eef s TRP 88 CO 0.00 -0.13 1.38 0.27 -0.51 0.00 0.00 176.95 177.97 1eef n ASN 89 N 4.70 2.89 -1.99 2.95 0.23 0.91 -1.93 115.26 123.02 1eef n ASN 89 Ca 0.03 -2.05 -0.10 0.00 -0.53 0.00 0.00 54.58 51.93 1eef n ASN 89 Cb 0.50 -0.37 0.27 0.00 -2.08 0.00 0.00 39.78 38.10 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 0.98 4.42 -4.03 0.53 6.94 -1.26 -4.90 115.26 117.95 1eef n ASN 90 Ca 0.18 -3.35 -0.09 0.00 -0.02 0.00 0.00 54.58 51.30 1eef n ASN 90 Cb 0.47 -0.76 -0.11 0.00 -2.36 0.00 0.00 39.78 37.02 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 -3.09 0.43 -0.16 -3.83 -0.14 -1.26 -5.08 119.74 106.62 1eef s LYS 91 Ca 0.55 -0.82 -0.00 0.00 -1.36 0.00 0.00 55.97 54.34 1eef s LYS 91 Cb 0.45 0.09 0.04 0.00 -1.68 0.00 0.00 37.83 36.72 1eef s LYS 91 CO 0.12 -0.06 -0.07 0.99 -0.76 0.00 0.00 175.35 175.57 1eef s THR 92 N -2.21 1.23 0.95 2.17 2.01 -1.26 -2.47 115.64 116.06 1eef s THR 92 Ca -0.08 -0.66 -0.14 0.00 0.31 0.00 0.00 61.69 61.11 1eef s THR 92 Cb -0.05 -1.35 0.17 0.00 0.01 0.00 0.00 72.50 71.28 1eef s THR 92 CO -0.03 0.18 1.19 -2.16 -0.69 0.00 0.00 174.62 173.11 1eef s PRO 93 N 1.59 0.81 0.54 4.92 0.04 -1.26 -5.07 135.00 136.57 1eef s PRO 93 Ca 0.01 0.02 -0.22 0.00 0.04 0.00 0.00 61.00 60.86 1eef s PRO 93 Cb -0.15 -1.83 -0.06 0.00 0.04 0.00 0.00 34.50 32.51 1eef s PRO 93 CO -0.08 -2.37 1.26 0.09 0.04 0.00 0.00 177.00 175.94 1eef n ASN 94 N -3.83 2.24 -4.70 6.66 5.03 -1.03 -4.55 115.26 115.08 1eef n ASN 94 Ca 0.10 0.96 -0.36 0.00 0.87 0.00 0.00 54.58 56.15 1eef n ASN 94 Cb 0.60 -1.52 -0.08 0.00 -1.02 0.00 0.00 39.78 37.75 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 -0.94 6.24 -0.13 6.41 0.15 -0.81 -1.11 113.70 123.51 1eef s SER 95 Ca 0.71 0.27 -0.29 0.00 0.70 0.00 0.00 55.95 57.34 1eef s SER 95 Cb -0.43 -2.13 -0.03 0.00 -1.71 0.00 0.00 66.02 61.72 1eef s SER 95 CO 0.50 0.09 1.46 -0.63 1.20 0.00 0.00 173.24 175.86 1eef s ILE 96 N 0.75 3.93 -0.21 6.45 1.01 0.47 -0.13 121.20 133.47 1eef s ILE 96 Ca 0.11 1.12 0.08 0.00 0.00 0.00 0.00 60.65 61.95 1eef s ILE 96 Cb -0.13 -3.75 -0.21 0.00 0.01 0.00 0.00 42.46 38.38 1eef s ILE 96 CO 0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 174.94 174.81 1eef n ALA 97 N 7.04 1.42 -3.32 9.38 0.00 0.11 -4.88 120.51 130.26 1eef n ALA 97 Ca 0.16 -1.13 -0.11 0.00 0.00 0.00 0.00 53.44 52.37 1eef n ALA 97 Cb 0.44 -0.22 -0.03 0.00 0.00 0.00 0.00 19.45 19.64 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 -2.52 -1.25 0.03 0.00 0.00 -0.86 -4.96 121.76 112.21 1eef s ALA 98 Ca -0.23 0.13 0.00 0.00 0.00 0.00 0.00 51.96 51.86 1eef s ALA 98 Cb 0.08 0.83 -0.03 0.00 0.00 0.00 0.00 23.12 24.00 1eef s ALA 98 CO 0.71 -0.77 -0.04 0.96 0.00 0.00 0.00 175.76 176.63 1eef s ILE 99 N -3.80 0.21 0.03 0.00 -4.36 -1.26 -0.76 121.20 111.25 1eef s ILE 99 Ca 0.04 -1.20 0.00 0.00 -0.26 0.00 0.00 60.65 59.23 1eef s ILE 99 Cb -0.01 -0.68 -0.02 0.00 1.25 0.00 0.00 42.46 43.00 1eef s ILE 99 CO -0.09 -0.63 -0.04 -0.94 0.24 0.00 0.00 174.94 173.48 1eef s SER 100 N -1.92 0.38 -0.10 4.36 1.04 -0.42 -4.99 113.70 112.06 1eef s SER 100 Ca -0.08 -0.58 -0.09 0.00 0.48 0.00 0.00 55.95 55.68 1eef s SER 100 Cb -0.05 0.10 0.03 0.00 0.10 0.00 0.00 66.02 66.20 1eef s SER 100 CO -0.03 -0.33 0.26 -0.04 0.98 0.00 0.00 173.24 174.08 1eef s MET 101 N -1.83 0.30 0.05 4.02 -1.94 -1.26 -1.03 119.30 117.61 1eef s MET 101 Ca -0.12 0.37 0.00 0.00 -1.71 0.00 0.00 55.69 54.23 1eef s MET 101 Cb -0.07 0.15 -0.03 0.00 2.01 0.00 0.00 34.83 36.88 1eef s MET 101 CO -0.02 -0.04 -0.05 -1.59 -0.01 0.00 0.00 175.02 173.32 1eef s LYS 102 N 0.15 0.57 0.00 2.03 -2.85 -1.26 -4.90 119.74 113.48 1eef s LYS 102 Ca -0.00 -1.01 0.25 0.00 -1.00 0.00 0.00 55.97 54.20 1eef s LYS 102 Cb -0.02 0.00 0.34 0.00 -2.06 0.00 0.00 37.83 36.10 1eef s LYS 102 CO 0.00 -0.05 1.35 0.09 0.10 0.00 0.00 175.35 176.84