#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 0.83 -0.06 0.00 -0.02 -1.26 -4.96 135.00 129.54 1eef n PRO 2 Ca 0.00 0.33 -0.02 0.00 -2.02 0.00 0.00 63.50 61.79 1eef n PRO 2 Cb 0.00 -2.17 -0.14 0.00 -0.02 0.00 0.00 33.50 31.17 1eef n PRO 2 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1eef n GLN 3 N -1.12 0.99 -4.18 -0.52 1.13 -1.26 -4.96 117.38 107.45 1eef n GLN 3 Ca 0.14 -0.06 -0.11 0.00 -1.94 0.00 0.00 57.00 55.02 1eef n GLN 3 Cb 0.48 -1.44 -0.10 0.00 0.11 0.00 0.00 30.24 29.29 1eef n GLN 3 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1eef s THR 4 N -2.71 0.07 0.26 5.09 -4.23 -1.26 -5.04 115.64 107.82 1eef s THR 4 Ca -0.08 -1.96 -0.04 0.00 -1.18 0.00 0.00 61.69 58.43 1eef s THR 4 Cb 0.07 -2.31 0.19 0.00 1.34 0.00 0.00 72.50 71.79 1eef s THR 4 CO 0.72 -0.20 1.85 -0.29 -0.54 0.00 0.00 174.62 176.17 1eef h ILE 5 N 2.71 1.24 -0.61 2.99 2.10 -1.96 -0.79 117.51 123.19 1eef h ILE 5 Ca -0.36 -0.69 -0.05 0.00 1.08 0.00 0.00 64.86 64.84 1eef h ILE 5 Cb 1.23 0.30 -0.03 0.00 -1.09 0.00 0.00 36.82 37.24 1eef h ILE 5 CO 0.56 0.29 0.17 0.74 -1.08 0.00 0.00 178.15 178.83 1eef h THR 6 N 1.06 1.25 -0.39 2.19 2.02 -1.98 0.17 112.91 117.22 1eef h THR 6 Ca 0.25 -0.87 -0.04 0.00 0.77 0.00 0.00 66.41 66.52 1eef h THR 6 Cb 0.13 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 1eef h THR 6 CO -0.03 0.33 0.07 -0.08 0.37 0.00 0.00 175.52 176.18 1eef h GLU 7 N 0.89 0.63 -0.12 6.66 4.81 -1.86 -2.29 114.58 123.30 1eef h GLU 7 Ca 0.20 -0.16 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1eef h GLU 7 Cb 0.32 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 1eef h GLU 7 CO -0.00 0.68 0.07 1.25 -0.73 0.00 0.00 179.01 180.28 1eef h LEU 8 N 0.48 0.15 -1.31 1.64 6.46 -0.89 -2.98 115.31 118.87 1eef h LEU 8 Ca 0.12 -0.07 0.13 0.00 -0.12 0.00 0.00 57.88 57.94 1eef h LEU 8 Cb 0.35 -0.04 -0.07 0.00 -0.73 0.00 0.00 40.66 40.18 1eef h LEU 8 CO 0.01 0.18 0.56 0.00 -0.62 0.00 0.00 178.44 178.56 1eef n SER 10 N -4.54 0.00 0.08 0.00 3.41 -0.87 -2.14 113.62 109.55 1eef n SER 10 Ca 0.16 -0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.90 1eef n SER 10 Cb 0.43 -0.30 0.41 0.00 -0.26 0.00 0.00 64.21 64.49 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 -1.30 0.21 -4.16 4.33 1.02 -0.70 -4.87 120.64 115.17 1eef n GLU 11 Ca 0.11 0.15 -0.25 0.00 -0.02 0.00 0.00 57.16 57.15 1eef n GLU 11 Cb 0.20 -1.73 -0.06 0.00 -0.02 0.00 0.00 31.44 29.83 1eef n GLU 11 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1eef s TYR 12 N -3.09 2.97 0.39 -0.32 1.51 -0.91 -5.12 117.35 112.78 1eef s TYR 12 Ca 0.11 -0.11 -0.11 0.00 -1.01 0.00 0.00 57.07 55.95 1eef s TYR 12 Cb 0.14 -1.39 -0.07 0.00 -0.11 0.00 0.00 41.96 40.53 1eef s TYR 12 CO 0.60 0.54 0.75 1.03 -1.11 0.00 0.00 175.55 177.36 1eef s ARG 13 N -3.34 3.80 -1.71 -0.62 0.52 -1.26 -4.27 118.95 112.08 1eef s ARG 13 Ca 0.30 0.47 0.00 0.00 -0.52 0.00 0.00 55.73 55.99 1eef s ARG 13 Cb -0.09 -2.41 0.00 0.00 0.52 0.00 0.00 34.95 32.97 1eef s ARG 13 CO 0.22 0.00 0.00 0.09 0.02 0.00 0.00 175.30 175.63 1eef n ASN 14 N -1.14 -5.67 -4.60 0.23 4.13 -1.26 -4.95 115.26 101.99 1eef n ASN 14 Ca 0.02 -0.01 -0.24 0.00 1.68 0.00 0.00 54.58 56.03 1eef n ASN 14 Cb 0.54 -4.71 -0.09 0.00 -1.54 0.00 0.00 39.78 33.98 1eef n ASN 14 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1eef s THR 15 N -2.99 2.66 -0.11 3.41 -4.23 -1.26 -0.36 115.64 112.76 1eef s THR 15 Ca 0.00 -2.05 -0.27 0.00 -1.18 0.00 0.00 61.69 58.19 1eef s THR 15 Cb 0.00 -2.72 0.06 0.00 1.34 0.00 0.00 72.50 71.18 1eef s THR 15 CO 0.00 -0.25 0.64 -1.58 -0.54 0.00 0.00 174.62 172.89 1eef s GLN 16 N -3.67 0.93 -0.10 3.99 0.74 -0.43 -4.88 119.66 116.23 1eef s GLN 16 Ca 0.33 0.44 -0.15 0.00 0.05 0.00 0.00 55.36 56.04 1eef s GLN 16 Cb -0.01 0.44 -0.05 0.00 1.10 0.00 0.00 33.01 34.49 1eef s GLN 16 CO 0.18 -0.24 0.36 0.42 -0.55 0.00 0.00 175.29 175.47 1eef s ILE 17 N -0.69 5.21 -0.14 -2.34 -1.09 -1.26 -1.51 121.20 119.38 1eef s ILE 17 Ca -0.08 0.70 0.01 0.00 -2.23 0.00 0.00 60.65 59.06 1eef s ILE 17 Cb -0.02 -3.68 -0.00 0.00 -1.58 0.00 0.00 42.46 37.18 1eef s ILE 17 CO 0.06 0.45 -0.17 -0.31 -1.23 0.00 0.00 174.94 173.74 1eef s TYR 18 N -0.05 2.74 -0.30 3.97 1.51 0.23 -4.97 117.35 120.47 1eef s TYR 18 Ca 0.21 -1.01 -0.18 0.00 -1.01 0.00 0.00 57.07 55.08 1eef s TYR 18 Cb -0.14 -1.84 -0.02 0.00 -0.11 0.00 0.00 41.96 39.84 1eef s TYR 18 CO 0.08 -0.44 0.50 0.99 -1.11 0.00 0.00 175.55 175.58 1eef s THR 19 N 0.66 5.05 -0.26 -0.71 2.01 -1.26 -0.88 115.64 120.25 1eef s THR 19 Ca -0.09 0.64 -0.14 0.00 0.31 0.00 0.00 61.69 62.42 1eef s THR 19 Cb -0.16 -3.87 -0.11 0.00 0.01 0.00 0.00 72.50 68.37 1eef s THR 19 CO 0.02 -0.03 -0.35 -0.38 -0.69 0.00 0.00 174.62 173.20 1eef n ILE 20 N 5.27 1.47 -4.00 1.82 -0.00 0.18 -4.99 119.36 119.11 1eef n ILE 20 Ca -0.05 -0.33 -0.27 0.00 -0.00 0.00 0.00 62.75 62.11 1eef n ILE 20 Cb 0.49 -1.91 -0.02 0.00 -0.00 0.00 0.00 39.64 38.20 1eef n ILE 20 CO 0.00 0.00 0.00 -3.20 -0.00 0.00 0.00 176.55 173.35 1eef n ASN 21 N -4.22 -0.66 -3.48 4.38 5.15 0.76 -4.95 115.26 112.24 1eef n ASN 21 Ca -0.49 -1.02 -0.11 0.00 -0.60 0.00 0.00 54.58 52.36 1eef n ASN 21 Cb 0.84 -2.97 -0.02 0.00 -0.53 0.00 0.00 39.78 37.10 1eef n ASN 21 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1eef s ASP 22 N -4.23 -0.51 0.67 1.20 2.15 -0.63 -4.90 116.67 110.42 1eef s ASP 22 Ca 0.10 -0.08 -0.11 0.00 0.43 0.00 0.00 52.55 52.88 1eef s ASP 22 Cb -0.05 0.59 -0.01 0.00 -0.30 0.00 0.00 42.92 43.15 1eef s ASP 22 CO 0.90 -0.98 1.06 -1.59 -0.17 0.00 0.00 175.17 174.39 1eef s LYS 23 N -3.77 3.15 0.24 4.34 -2.85 -1.26 -0.52 119.74 119.07 1eef s LYS 23 Ca 0.02 0.70 -0.30 0.00 -1.00 0.00 0.00 55.97 55.39 1eef s LYS 23 Cb -0.01 -2.03 -0.09 0.00 -2.06 0.00 0.00 37.83 33.64 1eef s LYS 23 CO -0.12 -0.88 1.21 0.42 0.10 0.00 0.00 175.35 176.08 1eef s ILE 24 N -3.20 3.35 -0.11 3.79 1.01 -1.26 -4.73 121.20 120.04 1eef s ILE 24 Ca 0.57 1.22 -0.17 0.00 0.00 0.00 0.00 60.65 62.27 1eef s ILE 24 Cb -0.12 -3.78 -0.27 0.00 0.01 0.00 0.00 42.46 38.31 1eef s ILE 24 CO 0.54 0.24 0.54 0.25 0.00 0.00 0.00 174.94 176.50 1eef h LEU 25 N 4.55 0.34 -7.85 2.97 5.85 -1.02 -3.48 115.31 116.67 1eef h LEU 25 Ca -0.46 -0.84 -0.17 0.00 0.84 0.00 0.00 57.88 57.25 1eef h LEU 25 Cb 1.22 -0.11 -0.22 0.00 0.37 0.00 0.00 40.66 41.91 1eef h LEU 25 CO 0.71 1.58 -0.64 -0.94 -0.34 0.00 0.00 178.44 178.82 1eef s SER 26 N -6.98 0.11 -0.07 1.25 1.04 -1.15 -4.97 113.70 102.93 1eef s SER 26 Ca -0.20 -0.28 0.03 0.00 0.48 0.00 0.00 55.95 55.98 1eef s SER 26 Cb 0.04 0.13 0.01 0.00 0.10 0.00 0.00 66.02 66.30 1eef s SER 26 CO 0.75 -0.25 -0.16 -0.47 0.98 0.00 0.00 173.24 174.09 1eef s TYR 27 N -1.09 1.77 -0.06 5.02 6.14 -1.26 -2.02 117.35 125.86 1eef s TYR 27 Ca -0.12 -0.66 0.02 0.00 0.64 0.00 0.00 57.07 56.95 1eef s TYR 27 Cb -0.07 -1.24 0.01 0.00 0.42 0.00 0.00 41.96 41.08 1eef s TYR 27 CO -0.00 -0.30 -0.10 0.99 0.64 0.00 0.00 175.55 176.78 1eef s THR 28 N 0.49 0.98 -0.04 4.34 2.01 0.32 -4.99 115.64 118.75 1eef s THR 28 Ca -0.14 -0.40 0.02 0.00 0.31 0.00 0.00 61.69 61.48 1eef s THR 28 Cb -0.16 -0.91 0.01 0.00 0.01 0.00 0.00 72.50 71.46 1eef s THR 28 CO 0.05 0.32 -0.08 -0.70 -0.69 0.00 0.00 174.62 173.52 1eef s GLU 29 N 0.65 1.08 -0.04 4.92 2.12 -1.26 -0.31 118.70 125.85 1eef s GLU 29 Ca -0.13 -0.26 0.04 0.00 0.36 0.00 0.00 54.97 54.99 1eef s GLU 29 Cb -0.15 -0.98 -0.00 0.00 0.26 0.00 0.00 34.13 33.26 1eef s GLU 29 CO 0.03 0.02 -0.17 0.45 -0.54 0.00 0.00 175.26 175.05 1eef s SER 30 N 0.55 2.09 -0.00 -1.70 0.15 -0.36 -4.99 113.70 109.45 1eef s SER 30 Ca -0.09 -0.34 0.08 0.00 0.70 0.00 0.00 55.95 56.30 1eef s SER 30 Cb -0.12 -0.55 0.22 0.00 -1.71 0.00 0.00 66.02 63.86 1eef s SER 30 CO 0.01 0.15 1.19 1.15 1.20 0.00 0.00 173.24 176.94 1eef n MET 31 N 3.12 2.90 -2.00 5.44 0.00 -1.26 -2.45 117.12 122.87 1eef n MET 31 Ca -0.18 -1.91 -0.39 0.00 0.00 0.00 0.00 57.70 55.22 1eef n MET 31 Cb 0.53 -1.20 0.00 0.00 0.00 0.00 0.00 33.22 32.55 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 -1.04 3.23 -0.20 3.17 0.00 -1.26 -4.84 121.76 120.83 1eef s ALA 32 Ca 0.17 1.28 -0.37 0.00 0.00 0.00 0.00 51.96 53.04 1eef s ALA 32 Cb 0.09 -3.51 -0.14 0.00 0.00 0.00 0.00 23.12 19.57 1eef s ALA 32 CO 0.11 -0.92 1.84 0.41 0.00 0.00 0.00 175.76 177.21 1eef n GLY 33 N 0.64 1.10 2.68 0.00 0.00 -1.26 -0.87 105.19 107.48 1eef n GLY 33 Ca 0.04 0.90 0.00 0.00 0.00 0.00 0.00 46.02 46.97 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 6.19 -0.18 -2.67 1.61 5.02 -1.26 -4.83 118.16 122.04 1eef n LYS 34 Ca 0.26 0.04 -0.05 0.00 -2.02 0.00 0.00 58.31 56.54 1eef n LYS 34 Cb 0.21 -3.10 0.04 0.00 -0.02 0.00 0.00 35.03 32.16 1eef n LYS 34 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1eef n ARG 35 N -2.15 2.05 -2.51 1.97 5.12 -0.05 -4.99 116.66 116.11 1eef n ARG 35 Ca 0.00 -3.63 -0.40 0.00 -1.93 0.00 0.00 57.85 51.90 1eef n ARG 35 Cb 0.04 -1.71 -0.03 0.00 -1.16 0.00 0.00 32.46 29.60 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 -3.72 3.53 0.33 5.56 8.01 -1.15 -4.28 118.70 126.98 1eef s GLU 36 Ca 0.32 -1.13 -0.07 0.00 0.01 0.00 0.00 54.97 54.10 1eef s GLU 36 Cb 0.35 -5.35 0.01 0.00 -4.31 0.00 0.00 34.13 24.83 1eef s GLU 36 CO -0.02 -2.33 0.52 0.00 0.01 0.00 0.00 175.26 173.44 1eef s MET 37 N 5.10 1.89 0.00 1.61 0.23 -1.03 -4.10 119.30 123.01 1eef s MET 37 Ca 0.49 -1.61 0.04 0.00 -1.03 0.00 0.00 55.69 53.58 1eef s MET 37 Cb -0.00 0.48 -0.01 0.00 -1.53 0.00 0.00 34.83 33.76 1eef s MET 37 CO -0.07 -0.80 -0.13 0.08 -2.03 0.00 0.00 175.02 172.07 1eef s VAL 38 N -3.13 1.02 -0.06 5.16 1.01 -1.22 -1.22 120.40 121.97 1eef s VAL 38 Ca 0.27 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.63 1eef s VAL 38 Cb -0.01 -0.87 0.01 0.00 0.00 0.00 0.00 36.38 35.51 1eef s VAL 38 CO 0.17 0.22 -0.14 -0.63 0.00 0.00 0.00 175.10 174.72 1eef s ILE 39 N -0.43 1.23 0.15 2.22 1.01 0.58 -1.66 121.20 124.29 1eef s ILE 39 Ca 0.04 -0.55 0.09 0.00 0.00 0.00 0.00 60.65 60.23 1eef s ILE 39 Cb -0.06 -1.10 -0.04 0.00 0.01 0.00 0.00 42.46 41.27 1eef s ILE 39 CO -0.00 0.37 -0.20 0.27 0.00 0.00 0.00 174.94 175.38 1eef s ILE 40 N 0.52 1.88 0.12 2.92 -4.36 -0.31 -0.52 121.20 121.44 1eef s ILE 40 Ca -0.13 -1.80 0.02 0.00 -0.26 0.00 0.00 60.65 58.49 1eef s ILE 40 Cb -0.15 -1.79 -0.04 0.00 1.25 0.00 0.00 42.46 41.73 1eef s ILE 40 CO 0.04 -0.18 -0.06 0.42 0.24 0.00 0.00 174.94 175.40 1eef s THR 41 N -1.64 0.76 0.16 8.37 -4.23 -0.85 -1.27 115.64 116.94 1eef s THR 41 Ca 0.13 -1.96 0.07 0.00 -1.18 0.00 0.00 61.69 58.74 1eef s THR 41 Cb -0.08 -1.80 -0.04 0.00 1.34 0.00 0.00 72.50 71.93 1eef s THR 41 CO 0.06 -0.78 -0.14 -0.36 -0.54 0.00 0.00 174.62 172.87 1eef s PHE 42 N -3.58 1.54 0.45 3.99 0.08 -0.52 -0.34 117.98 119.60 1eef s PHE 42 Ca 0.15 -0.59 0.17 0.00 0.12 0.00 0.00 56.93 56.77 1eef s PHE 42 Cb 0.05 -0.76 1.11 0.00 -0.57 0.00 0.00 43.02 42.85 1eef s PHE 42 CO -0.02 0.24 1.95 -0.22 -0.10 0.00 0.00 175.22 177.07 1eef h LYS 43 N 2.96 0.33 0.00 0.44 3.64 -1.90 0.96 116.57 123.00 1eef h LYS 43 Ca -0.39 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 1eef h LYS 43 Cb 1.21 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 1eef h LYS 43 CO 0.58 0.22 0.00 -1.13 -2.27 0.00 0.00 179.45 176.84 1eef n SER 44 N -4.46 0.00 0.00 4.20 3.41 -1.26 -4.86 113.62 110.65 1eef n SER 44 Ca 0.12 0.35 0.00 0.00 -0.26 0.00 0.00 58.87 59.08 1eef n SER 44 Cb 0.49 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 1eef n SER 44 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1eef n GLY 45 N -0.62 2.95 3.63 5.00 0.00 0.33 -5.04 105.19 111.44 1eef n GLY 45 Ca 0.03 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.57 1eef n GLY 45 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1eef n GLU 46 N -0.37 1.71 -4.49 1.61 1.02 -1.26 -4.66 120.64 114.20 1eef n GLU 46 Ca 0.00 0.61 -0.27 0.00 -0.02 0.00 0.00 57.16 57.48 1eef n GLU 46 Cb 0.00 -2.30 -0.17 0.00 -0.02 0.00 0.00 31.44 28.96 1eef n GLU 46 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1eef s THR 47 N 0.51 1.39 0.12 2.62 2.01 -1.26 -1.43 115.64 119.59 1eef s THR 47 Ca 0.78 -0.59 0.01 0.00 0.31 0.00 0.00 61.69 62.20 1eef s THR 47 Cb -0.78 -1.28 -0.04 0.00 0.01 0.00 0.00 72.50 70.41 1eef s THR 47 CO 0.44 0.42 -0.03 -0.36 -0.69 0.00 0.00 174.62 174.40 1eef s PHE 48 N 0.92 0.94 0.13 4.92 0.08 -0.39 -3.86 117.98 120.71 1eef s PHE 48 Ca -0.09 -0.99 0.04 0.00 0.12 0.00 0.00 56.93 56.02 1eef s PHE 48 Cb -0.15 -0.55 -0.04 0.00 -0.57 0.00 0.00 43.02 41.71 1eef s PHE 48 CO -0.00 -0.22 -0.10 1.14 -0.10 0.00 0.00 175.22 175.94 1eef s GLN 49 N -3.88 0.98 -0.30 0.44 -2.07 -0.20 -1.17 119.66 113.46 1eef s GLN 49 Ca 0.16 -1.34 -0.06 0.00 -1.82 0.00 0.00 55.36 52.29 1eef s GLN 49 Cb 0.06 -0.59 0.02 0.00 -1.09 0.00 0.00 33.01 31.41 1eef s GLN 49 CO -0.02 0.08 0.07 0.08 -1.32 0.00 0.00 175.29 174.17 1eef s VAL 50 N -3.01 3.76 0.67 3.63 1.01 -0.67 -0.78 120.40 125.01 1eef s VAL 50 Ca 0.13 -0.88 -0.17 0.00 0.00 0.00 0.00 61.98 61.05 1eef s VAL 50 Cb 0.01 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.39 1eef s VAL 50 CO 0.00 0.01 1.27 -1.61 0.00 0.00 0.00 175.10 174.78 1eef s GLU 51 N 1.44 2.43 0.30 2.72 2.02 -1.26 -3.38 118.70 122.98 1eef s GLU 51 Ca 0.01 2.00 -0.29 0.00 0.02 0.00 0.00 54.97 56.70 1eef s GLU 51 Cb -0.18 -1.84 -0.10 0.00 0.10 0.00 0.00 34.13 32.11 1eef s GLU 51 CO 0.02 -1.67 1.43 0.08 0.02 0.00 0.00 175.26 175.13 1eef s VAL 52 N -1.53 2.49 0.17 2.63 1.01 -1.26 -4.88 120.40 119.02 1eef s VAL 52 Ca 0.81 0.45 -0.33 0.00 0.00 0.00 0.00 61.98 62.90 1eef s VAL 52 Cb -0.36 -3.28 -0.13 0.00 0.00 0.00 0.00 36.38 32.61 1eef s VAL 52 CO 0.41 0.09 1.63 -2.65 0.00 0.00 0.00 175.10 174.58 1eef n PRO 53 N 1.50 2.33 -2.21 2.72 -0.02 -1.26 -4.94 135.00 133.12 1eef n PRO 53 Ca 0.04 0.84 -0.02 0.00 -2.02 0.00 0.00 63.50 62.34 1eef n PRO 53 Cb 0.40 -2.64 -0.01 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 3.61 3.93 0.29 -1.23 0.00 -1.26 -5.04 105.19 105.49 1eef n GLY 54 Ca 0.17 -1.69 0.16 0.00 0.00 0.00 0.00 46.02 44.65 1eef n GLY 54 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1eef h SER 55 N 0.19 0.00 0.23 1.61 0.02 -2.04 -2.23 113.55 111.33 1eef h SER 55 Ca -0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1eef h SER 55 Cb 0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.65 1eef h SER 55 CO 0.03 0.06 0.00 0.00 -1.14 0.00 0.00 176.83 175.78 1eef n GLN 56 N -3.50 0.56 -3.98 3.45 0.00 -1.26 -4.74 117.38 107.90 1eef n GLN 56 Ca -0.02 0.03 -0.36 0.00 0.00 0.00 0.00 57.00 56.66 1eef n GLN 56 Cb 0.18 -1.50 -0.06 0.00 0.00 0.00 0.00 30.24 28.86 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 -2.29 3.49 0.38 2.61 3.76 -0.84 -5.11 115.29 117.29 1eef s HIS 57 Ca 0.30 0.42 0.02 0.00 -0.15 0.00 0.00 55.06 55.64 1eef s HIS 57 Cb 0.17 -1.88 -0.02 0.00 1.11 0.00 0.00 32.58 31.96 1eef s HIS 57 CO 0.33 0.66 0.57 0.96 -0.85 0.00 0.00 174.74 176.41 1eef s ILE 58 N -1.08 4.50 0.27 0.60 -4.36 -1.26 -4.93 121.20 114.95 1eef s ILE 58 Ca 0.18 -0.61 0.01 0.00 -0.26 0.00 0.00 60.65 59.96 1eef s ILE 58 Cb -0.12 -3.63 0.26 0.00 1.25 0.00 0.00 42.46 40.22 1eef s ILE 58 CO 0.08 -0.38 1.74 0.44 0.24 0.00 0.00 174.94 177.06 1eef h ASP 59 N 0.67 0.48 0.00 4.36 3.32 -1.99 0.21 116.42 123.48 1eef h ASP 59 Ca -0.48 0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.68 1eef h ASP 59 Cb 1.24 0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.83 1eef h ASP 59 CO 0.58 0.16 0.08 0.77 -1.72 0.00 0.00 179.24 179.11 1eef h SER 60 N 0.56 0.00 1.28 6.45 4.64 -2.05 -1.12 113.55 123.32 1eef h SER 60 Ca 0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 1eef h SER 60 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 1eef h SER 60 CO -0.41 0.00 -0.33 1.56 -0.87 0.00 0.00 176.83 176.78 1eef h GLN 61 N 0.00 0.00 -0.25 4.77 4.20 -0.94 -3.37 115.11 119.52 1eef h GLN 61 Ca 0.00 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.76 1eef h GLN 61 Cb 0.16 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.89 1eef h GLN 61 CO 0.00 0.00 -0.08 0.87 -0.67 0.00 0.00 178.83 178.95 1eef h LYS 62 N 0.00 -0.03 -0.26 1.46 1.57 -1.26 0.14 116.57 118.19 1eef h LYS 62 Ca 0.00 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 1eef h LYS 62 Cb 0.81 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 1eef h LYS 62 CO 0.00 -0.02 -0.34 0.87 -0.57 0.00 0.00 179.45 179.39 1eef h LYS 63 N -0.03 0.56 -0.50 3.15 1.57 -1.77 -2.94 116.57 116.60 1eef h LYS 63 Ca 0.12 -0.26 -0.08 0.00 -1.87 0.00 0.00 60.65 58.57 1eef h LYS 63 Cb 0.22 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 1eef h LYS 63 CO -0.28 0.83 -0.01 0.00 -0.57 0.00 0.00 179.45 179.42 1eef h ALA 64 N 1.15 1.04 -0.54 3.86 0.00 -1.52 -0.74 119.26 122.52 1eef h ALA 64 Ca 0.05 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1eef h ALA 64 Cb 0.82 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1eef h ALA 64 CO 0.07 0.60 0.29 0.82 0.00 0.00 0.00 179.25 181.03 1eef h ILE 65 N 0.78 1.18 -0.34 0.00 2.04 -0.64 0.77 117.51 121.31 1eef h ILE 65 Ca 0.15 -0.46 -0.09 0.00 1.00 0.00 0.00 64.86 65.46 1eef h ILE 65 Cb 0.49 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 1eef h ILE 65 CO 0.02 0.19 -0.17 -0.33 0.00 0.00 0.00 178.15 177.87 1eef h GLU 66 N 0.72 0.61 -0.14 2.37 4.39 -1.31 -2.60 114.58 118.61 1eef h GLU 66 Ca 0.19 -0.21 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 1eef h GLU 66 Cb 0.05 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1eef h GLU 66 CO -0.03 0.75 -0.02 -0.09 -1.16 0.00 0.00 179.01 178.46 1eef h ARG 67 N 0.55 0.26 -0.85 2.33 2.43 -0.66 -1.78 114.38 116.66 1eef h ARG 67 Ca 0.09 -0.09 0.10 0.00 -0.81 0.00 0.00 59.98 59.27 1eef h ARG 67 Cb 0.60 -0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 30.05 1eef h ARG 67 CO 0.04 0.52 0.49 1.98 -1.51 0.00 0.00 179.97 181.49 1eef h MET 68 N -0.02 0.79 -0.50 0.20 4.05 -0.75 0.20 114.93 118.90 1eef h MET 68 Ca 0.04 -0.05 -0.06 0.00 -0.28 0.00 0.00 59.70 59.35 1eef h MET 68 Cb 0.42 -0.18 -0.02 0.00 -0.80 0.00 0.00 31.60 31.02 1eef h MET 68 CO 0.01 0.52 0.08 0.87 0.23 0.00 0.00 176.91 178.62 1eef h LYS 69 N 0.81 0.82 -0.59 0.39 1.57 -1.25 -1.16 116.57 117.16 1eef h LYS 69 Ca 0.41 -0.22 0.03 0.00 -1.87 0.00 0.00 60.65 59.01 1eef h LYS 69 Cb 0.39 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.57 1eef h LYS 69 CO -0.26 0.82 0.35 -0.44 -0.57 0.00 0.00 179.45 179.35 1eef h ASP 70 N 0.70 0.55 -0.16 0.86 3.32 -0.32 -2.13 116.42 119.23 1eef h ASP 70 Ca 0.15 0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.22 1eef h ASP 70 Cb 0.39 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 1eef h ASP 70 CO 0.01 0.38 0.09 0.74 -1.72 0.00 0.00 179.24 178.74 1eef h THR 71 N 0.68 1.01 -0.85 0.35 2.02 -0.31 -2.20 112.91 113.63 1eef h THR 71 Ca 0.25 -0.07 0.04 0.00 0.77 0.00 0.00 66.41 67.40 1eef h THR 71 Cb 0.07 0.80 -0.05 0.00 -1.74 0.00 0.00 68.15 67.23 1eef h THR 71 CO -0.12 0.04 0.54 -0.07 0.37 0.00 0.00 175.52 176.27 1eef h LEU 72 N 0.19 0.88 0.13 2.58 3.38 -0.95 0.06 115.31 121.58 1eef h LEU 72 Ca 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1eef h LEU 72 Cb -0.00 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.56 1eef h LEU 72 CO -0.03 0.59 -0.06 -0.09 0.09 0.00 0.00 178.44 178.94 1eef h ARG 73 N 1.03 -0.17 -0.19 1.13 2.43 -1.15 0.31 114.38 117.77 1eef h ARG 73 Ca 0.35 0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.43 1eef h ARG 73 Cb 0.06 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 1eef h ARG 73 CO -0.13 -0.05 -0.32 0.97 -1.51 0.00 0.00 179.97 178.93 1eef h ILE 74 N -0.25 1.28 -0.47 1.20 6.09 -1.11 -0.74 117.51 123.51 1eef h ILE 74 Ca -0.02 -1.36 -0.04 0.00 -1.37 0.00 0.00 64.86 62.07 1eef h ILE 74 Cb 0.20 1.48 -0.02 0.00 0.47 0.00 0.00 36.82 38.95 1eef h ILE 74 CO 0.03 0.42 0.14 0.74 -3.07 0.00 0.00 178.15 176.41 1eef h THR 75 N 0.33 1.23 0.65 2.19 2.02 -0.88 -1.11 112.91 117.35 1eef h THR 75 Ca 0.04 -0.77 -0.03 0.00 0.77 0.00 0.00 66.41 66.43 1eef h THR 75 Cb 0.73 0.84 0.01 0.00 -1.74 0.00 0.00 68.15 67.98 1eef h THR 75 CO 0.06 0.28 -0.31 0.22 0.37 0.00 0.00 175.52 176.13 1eef h TYR 76 N 0.63 -0.82 -0.80 3.16 3.20 -0.46 -1.66 116.97 120.22 1eef h TYR 76 Ca 0.15 -0.02 0.14 0.00 3.14 0.00 0.00 58.73 62.14 1eef h TYR 76 Cb 0.28 0.27 -0.06 0.00 1.54 0.00 0.00 36.73 38.76 1eef h TYR 76 CO 0.01 -0.49 0.53 -0.07 -1.64 0.00 0.00 178.16 176.50 1eef h LEU 77 N -0.94 0.50 -1.22 2.82 3.38 -0.97 -1.90 115.31 116.97 1eef h LEU 77 Ca -0.09 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1eef h LEU 77 Cb 0.69 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1eef h LEU 77 CO 0.15 0.26 -0.01 0.35 0.09 0.00 0.00 178.44 179.28 1eef n THR 78 N -4.51 0.00 -3.68 0.22 -2.24 -0.44 -4.94 114.28 98.69 1eef n THR 78 Ca 0.15 -0.32 -0.26 0.00 -2.27 0.00 0.00 64.05 61.35 1eef n THR 78 Cb 0.49 0.78 0.06 0.00 -2.10 0.00 0.00 70.33 69.55 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 0.48 -6.85 -2.57 -0.78 1.02 -0.72 -4.94 120.64 106.29 1eef n GLU 79 Ca 0.17 0.74 -0.41 0.00 -0.02 0.00 0.00 57.16 57.64 1eef n GLU 79 Cb 0.42 -5.72 -0.04 0.00 -0.02 0.00 0.00 31.44 26.08 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 -3.30 4.11 0.03 2.62 2.01 -0.68 -4.84 115.64 115.59 1eef s THR 80 Ca 0.60 1.74 -0.30 0.00 0.31 0.00 0.00 61.69 64.03 1eef s THR 80 Cb -0.28 -4.11 -0.05 0.00 0.01 0.00 0.00 72.50 68.07 1eef s THR 80 CO 0.74 0.26 1.23 -0.54 -0.69 0.00 0.00 174.62 175.62 1eef s LYS 81 N -0.01 4.40 -0.06 4.92 1.02 -1.26 -4.34 119.74 124.41 1eef s LYS 81 Ca 0.50 1.78 -0.17 0.00 0.02 0.00 0.00 55.97 58.10 1eef s LYS 81 Cb -0.27 -3.41 -0.05 0.00 -0.52 0.00 0.00 37.83 33.58 1eef s LYS 81 CO 0.32 -0.33 0.46 0.42 -0.92 0.00 0.00 175.35 175.30 1eef s ILE 82 N 1.43 5.09 0.00 2.17 1.01 0.32 -4.07 121.20 127.15 1eef s ILE 82 Ca 0.59 0.94 0.00 0.00 0.00 0.00 0.00 60.65 62.18 1eef s ILE 82 Cb -0.29 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.39 1eef s ILE 82 CO 0.27 0.43 0.00 -0.67 0.00 0.00 0.00 174.94 174.98 1eef n ASP 83 N 2.88 0.00 -4.37 3.58 -0.08 0.11 -0.17 116.55 118.50 1eef n ASP 83 Ca -0.10 0.16 -0.19 0.00 -1.51 0.00 0.00 54.79 53.15 1eef n ASP 83 Cb 0.52 -0.22 -0.10 0.00 2.34 0.00 0.00 41.12 43.65 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 -0.45 1.39 -0.05 -0.67 1.02 -1.22 0.51 119.74 120.27 1eef s LYS 84 Ca 0.00 -1.62 0.01 0.00 0.02 0.00 0.00 55.97 54.38 1eef s LYS 84 Cb 0.00 -1.20 0.02 0.00 -0.52 0.00 0.00 37.83 36.13 1eef s LYS 84 CO 0.00 0.19 -0.06 -0.51 -0.92 0.00 0.00 175.35 174.06 1eef s LEU 85 N -3.35 1.39 -0.25 3.17 1.43 -0.06 -1.61 118.68 119.40 1eef s LEU 85 Ca 0.24 -0.15 -0.11 0.00 -1.03 0.00 0.00 54.13 53.08 1eef s LEU 85 Cb -0.01 -0.50 -0.05 0.00 0.03 0.00 0.00 46.19 45.66 1eef s LEU 85 CO 0.08 -0.04 0.17 0.00 0.23 0.00 0.00 176.35 176.79 1eef s VAL 87 N 1.33 1.19 -0.18 0.00 -7.23 -0.57 -0.73 120.40 114.21 1eef s VAL 87 Ca 0.07 -1.91 -0.20 0.00 -1.81 0.00 0.00 61.98 58.13 1eef s VAL 87 Cb -0.14 -1.69 -0.03 0.00 0.56 0.00 0.00 36.38 35.08 1eef s VAL 87 CO 0.07 -0.63 0.60 0.26 -0.31 0.00 0.00 175.10 175.09 1eef s TRP 88 N -2.86 3.40 -2.28 2.82 0.51 0.93 -1.32 118.94 120.13 1eef s TRP 88 Ca 0.13 0.92 0.20 0.00 -2.12 0.00 0.00 56.10 55.23 1eef s TRP 88 Cb -0.00 -2.76 0.61 0.00 -0.81 0.00 0.00 33.47 30.50 1eef s TRP 88 CO 0.01 -0.12 1.47 0.27 -0.51 0.00 0.00 176.95 178.08 1eef n ASN 89 N 4.81 2.21 -1.49 2.95 0.23 0.51 -1.56 115.26 122.92 1eef n ASN 89 Ca -0.02 -1.83 0.02 0.00 -0.53 0.00 0.00 54.58 52.21 1eef n ASN 89 Cb 0.50 -0.17 0.25 0.00 -2.08 0.00 0.00 39.78 38.28 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 0.68 4.08 -4.11 0.53 6.94 -1.26 -4.87 115.26 117.26 1eef n ASN 90 Ca 0.17 -2.69 -0.09 0.00 -0.02 0.00 0.00 54.58 51.94 1eef n ASN 90 Cb 0.40 -0.64 -0.10 0.00 -2.36 0.00 0.00 39.78 37.08 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 -2.18 0.66 -0.11 -3.83 -0.14 -1.26 -5.08 119.74 107.79 1eef s LYS 91 Ca 0.37 -1.14 -0.01 0.00 -1.36 0.00 0.00 55.97 53.83 1eef s LYS 91 Cb 0.28 -0.04 0.03 0.00 -1.68 0.00 0.00 37.83 36.42 1eef s LYS 91 CO 0.10 -0.04 -0.06 0.99 -0.76 0.00 0.00 175.35 175.58 1eef s THR 92 N -3.18 0.90 1.07 2.17 2.01 -1.26 -2.89 115.64 114.46 1eef s THR 92 Ca 0.04 -0.25 -0.12 0.00 0.31 0.00 0.00 61.69 61.67 1eef s THR 92 Cb 0.02 -0.97 0.23 0.00 0.01 0.00 0.00 72.50 71.80 1eef s THR 92 CO -0.05 0.31 1.06 -2.84 -0.69 0.00 0.00 174.62 172.41 1eef s PRO 93 N 1.76 -0.17 0.65 4.92 0.02 -1.26 -5.06 135.00 135.85 1eef s PRO 93 Ca 0.04 0.75 -0.18 0.00 0.02 0.00 0.00 61.00 61.63 1eef s PRO 93 Cb -0.13 -1.65 -0.01 0.00 0.02 0.00 0.00 34.50 32.73 1eef s PRO 93 CO -0.08 -3.20 1.29 0.09 -0.33 0.00 0.00 177.00 174.78 1eef n ASN 94 N -4.54 2.07 -4.68 2.53 5.03 -1.14 -4.56 115.26 109.98 1eef n ASN 94 Ca 0.04 0.83 -0.36 0.00 0.87 0.00 0.00 54.58 55.97 1eef n ASN 94 Cb 0.55 -1.56 -0.09 0.00 -1.02 0.00 0.00 39.78 37.67 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 -1.36 6.06 -0.00 6.41 0.15 -0.60 -1.03 113.70 123.33 1eef s SER 95 Ca 0.83 0.14 -0.30 0.00 0.70 0.00 0.00 55.95 57.32 1eef s SER 95 Cb -0.38 -2.08 -0.04 0.00 -1.71 0.00 0.00 66.02 61.81 1eef s SER 95 CO 0.40 0.12 1.23 -0.63 1.20 0.00 0.00 173.24 175.56 1eef s ILE 96 N 0.73 4.09 -0.17 6.45 1.01 0.04 -0.05 121.20 133.30 1eef s ILE 96 Ca 0.07 1.46 0.02 0.00 0.00 0.00 0.00 60.65 62.21 1eef s ILE 96 Cb -0.12 -3.94 -0.12 0.00 0.01 0.00 0.00 42.46 38.29 1eef s ILE 96 CO 0.02 0.04 -0.13 0.00 0.00 0.00 0.00 174.94 174.86 1eef n ALA 97 N 4.77 1.63 -3.17 9.38 0.00 0.09 -4.87 120.51 128.33 1eef n ALA 97 Ca 0.11 -0.75 -0.10 0.00 0.00 0.00 0.00 53.44 52.69 1eef n ALA 97 Cb 0.46 0.09 -0.04 0.00 0.00 0.00 0.00 19.45 19.96 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 -2.34 -0.94 -0.03 0.00 0.00 -1.04 -4.99 121.76 112.41 1eef s ALA 98 Ca -0.22 -0.14 -0.09 0.00 0.00 0.00 0.00 51.96 51.52 1eef s ALA 98 Cb 0.06 0.80 0.01 0.00 0.00 0.00 0.00 23.12 23.99 1eef s ALA 98 CO 0.41 -0.73 0.20 -1.50 0.00 0.00 0.00 175.76 174.14 1eef s ILE 99 N -3.84 0.05 0.09 0.00 2.07 -1.26 -1.53 121.20 116.77 1eef s ILE 99 Ca 0.07 -0.41 0.06 0.00 -1.41 0.00 0.00 60.65 58.96 1eef s ILE 99 Cb 0.00 -0.42 -0.03 0.00 0.13 0.00 0.00 42.46 42.14 1eef s ILE 99 CO -0.07 -0.22 -0.17 -0.94 -1.91 0.00 0.00 174.94 171.63 1eef s SER 100 N -0.84 2.02 -0.02 4.50 1.04 -0.63 -5.00 113.70 114.77 1eef s SER 100 Ca -0.09 -0.66 -0.01 0.00 0.48 0.00 0.00 55.95 55.67 1eef s SER 100 Cb -0.05 -0.08 0.02 0.00 0.10 0.00 0.00 66.02 66.00 1eef s SER 100 CO 0.02 -0.03 0.04 -0.04 0.98 0.00 0.00 173.24 174.21 1eef s MET 101 N -1.86 0.01 0.00 4.02 -1.94 -1.26 -0.71 119.30 117.56 1eef s MET 101 Ca 0.02 0.13 0.00 0.00 -1.71 0.00 0.00 55.69 54.13 1eef s MET 101 Cb -0.10 -0.10 0.00 0.00 2.01 0.00 0.00 34.83 36.64 1eef s MET 101 CO 0.03 -0.08 0.00 0.36 -0.01 0.00 0.00 175.02 175.32 1eef n LYS 102 N 3.59 0.00 -0.92 2.03 2.85 -1.26 -4.89 118.16 119.56 1eef n LYS 102 Ca -0.19 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.07 1eef n LYS 102 Cb 0.55 -0.49 0.00 0.00 -0.65 0.00 0.00 35.03 34.45 1eef n LYS 102 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64