#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 2.97 0.01 0.00 0.04 -1.26 -4.95 135.00 131.81 1eef s PRO 2 Ca 0.00 1.90 0.22 0.00 0.04 0.00 0.00 61.00 63.16 1eef s PRO 2 Cb 0.00 -1.97 -0.10 0.00 0.04 0.00 0.00 34.50 32.47 1eef s PRO 2 CO 0.00 -1.23 0.91 1.04 0.04 0.00 0.00 177.00 177.76 1eef n GLN 3 N -1.52 0.22 -3.96 4.56 6.02 -1.26 -4.94 117.38 116.50 1eef n GLN 3 Ca 0.13 -0.04 -0.09 0.00 -0.01 0.00 0.00 57.00 57.00 1eef n GLN 3 Cb 0.49 -1.54 -0.08 0.00 1.02 0.00 0.00 30.24 30.14 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 -3.16 0.10 0.34 5.09 -4.23 -1.26 -5.04 115.64 107.48 1eef s THR 4 Ca 0.04 -1.41 0.04 0.00 -1.18 0.00 0.00 61.69 59.18 1eef s THR 4 Cb 0.15 -1.69 0.18 0.00 1.34 0.00 0.00 72.50 72.49 1eef s THR 4 CO 0.84 -0.47 1.90 -0.29 -0.54 0.00 0.00 174.62 176.06 1eef h ILE 5 N 2.68 1.19 -0.37 2.99 2.10 -1.96 -1.15 117.51 122.98 1eef h ILE 5 Ca -0.33 -0.66 -0.13 0.00 1.08 0.00 0.00 64.86 64.81 1eef h ILE 5 Cb 1.21 0.78 -0.01 0.00 -1.09 0.00 0.00 36.82 37.71 1eef h ILE 5 CO 0.53 0.24 -0.28 0.71 -1.08 0.00 0.00 178.15 178.27 1eef h THR 6 N 0.59 1.28 -0.33 2.19 1.35 -1.98 0.16 112.91 116.16 1eef h THR 6 Ca 0.13 -1.45 0.01 0.00 -0.55 0.00 0.00 66.41 64.56 1eef h THR 6 Cb 0.23 1.39 -0.02 0.00 -1.73 0.00 0.00 68.15 68.02 1eef h THR 6 CO -0.00 0.48 0.20 -0.33 -0.25 0.00 0.00 175.52 175.62 1eef h GLU 7 N 0.65 0.41 -0.53 4.72 5.08 -1.80 -1.31 114.58 121.80 1eef h GLU 7 Ca 0.07 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1eef h GLU 7 Cb 0.86 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.99 1eef h GLU 7 CO 0.08 0.27 0.34 1.25 -1.00 0.00 0.00 179.01 179.95 1eef h LEU 8 N 0.42 0.61 -1.17 1.33 6.46 -1.09 -2.84 115.31 119.03 1eef h LEU 8 Ca 0.13 -0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 57.84 1eef h LEU 8 Cb -0.02 -0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 39.73 1eef h LEU 8 CO -0.05 0.45 0.28 0.00 -0.62 0.00 0.00 178.44 178.50 1eef n SER 10 N -4.35 0.00 0.00 0.00 3.41 -0.55 -2.41 113.62 109.72 1eef n SER 10 Ca 0.05 0.42 0.14 0.00 -0.26 0.00 0.00 58.87 59.23 1eef n SER 10 Cb 0.14 -0.46 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 -1.46 0.25 -4.39 4.33 1.02 -0.70 -4.86 120.64 114.83 1eef n GLU 11 Ca 0.05 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.93 1eef n GLU 11 Cb 0.18 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 29.98 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 -2.74 2.16 0.48 -0.32 1.51 -1.01 -5.15 117.35 112.28 1eef s TYR 12 Ca 0.23 -0.39 -0.08 0.00 -1.01 0.00 0.00 57.07 55.82 1eef s TYR 12 Cb 0.20 -1.10 -0.04 0.00 -0.11 0.00 0.00 41.96 40.90 1eef s TYR 12 CO 0.48 0.41 0.82 0.50 -1.11 0.00 0.00 175.55 176.66 1eef s ARG 13 N -2.50 3.62 -1.61 -0.62 6.06 -1.26 -4.27 118.95 118.36 1eef s ARG 13 Ca 0.17 0.37 -0.03 0.00 -2.50 0.00 0.00 55.73 53.74 1eef s ARG 13 Cb -0.08 -2.33 0.01 0.00 0.06 0.00 0.00 34.95 32.61 1eef s ARG 13 CO 0.08 -0.22 0.39 0.09 -2.50 0.00 0.00 175.30 173.14 1eef n ASN 14 N -2.08 -5.94 -4.42 -2.12 5.03 -1.26 -4.94 115.26 99.53 1eef n ASN 14 Ca 0.02 -0.19 -0.21 0.00 0.87 0.00 0.00 54.58 55.06 1eef n ASN 14 Cb 0.55 -4.85 -0.10 0.00 -1.02 0.00 0.00 39.78 34.35 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 -3.12 1.86 0.03 3.41 -4.23 -1.26 -0.36 115.64 111.99 1eef s THR 15 Ca 0.20 -2.20 -0.27 0.00 -1.18 0.00 0.00 61.69 58.25 1eef s THR 15 Cb -0.09 -2.33 0.07 0.00 1.34 0.00 0.00 72.50 71.48 1eef s THR 15 CO 0.25 -0.39 0.62 0.00 -0.54 0.00 0.00 174.62 174.56 1eef s GLN 16 N -3.66 1.12 -0.09 3.99 -2.07 -0.02 -4.85 119.66 114.08 1eef s GLN 16 Ca 0.28 -0.07 -0.17 0.00 -1.82 0.00 0.00 55.36 53.58 1eef s GLN 16 Cb 0.01 0.52 -0.05 0.00 -1.09 0.00 0.00 33.01 32.40 1eef s GLN 16 CO 0.11 -0.41 0.44 0.42 -1.32 0.00 0.00 175.29 174.54 1eef s ILE 17 N -2.24 5.15 -0.19 3.63 -1.09 -1.26 -0.35 121.20 124.85 1eef s ILE 17 Ca -0.06 0.88 -0.00 0.00 -2.23 0.00 0.00 60.65 59.24 1eef s ILE 17 Cb -0.01 -3.77 0.01 0.00 -1.58 0.00 0.00 42.46 37.11 1eef s ILE 17 CO 0.00 0.40 -0.15 -0.31 -1.23 0.00 0.00 174.94 173.65 1eef s TYR 18 N 0.15 2.82 -0.19 3.97 2.02 0.57 -4.97 117.35 121.72 1eef s TYR 18 Ca 0.24 -1.40 -0.21 0.00 -0.37 0.00 0.00 57.07 55.33 1eef s TYR 18 Cb -0.15 -1.97 -0.02 0.00 -0.40 0.00 0.00 41.96 39.42 1eef s TYR 18 CO 0.10 -0.71 0.65 0.99 -1.57 0.00 0.00 175.55 175.01 1eef s THR 19 N 1.29 5.01 -0.22 -0.71 2.01 -1.26 -0.81 115.64 120.95 1eef s THR 19 Ca 0.04 1.23 -0.16 0.00 0.31 0.00 0.00 61.69 63.11 1eef s THR 19 Cb -0.14 -3.96 -0.09 0.00 0.01 0.00 0.00 72.50 68.33 1eef s THR 19 CO -0.09 0.11 -0.35 -0.38 -0.69 0.00 0.00 174.62 173.22 1eef n ILE 20 N 4.64 1.51 -4.03 1.82 2.08 0.13 -4.99 119.36 120.52 1eef n ILE 20 Ca -0.01 -0.09 -0.26 0.00 0.56 0.00 0.00 62.75 62.94 1eef n ILE 20 Cb 0.50 -2.14 -0.04 0.00 -0.75 0.00 0.00 39.64 37.21 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 -4.37 -0.04 -3.50 4.38 3.02 0.64 -4.94 115.26 110.45 1eef n ASN 21 Ca -0.32 -1.06 -0.11 0.00 -0.03 0.00 0.00 54.58 53.05 1eef n ASN 21 Cb 0.68 -2.75 -0.02 0.00 -0.61 0.00 0.00 39.78 37.08 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 -4.38 -0.51 0.66 6.41 2.15 -1.02 -4.89 116.67 115.09 1eef s ASP 22 Ca 0.00 -0.11 -0.09 0.00 0.43 0.00 0.00 52.55 52.78 1eef s ASP 22 Cb -0.00 0.62 0.02 0.00 -0.30 0.00 0.00 42.92 43.26 1eef s ASP 22 CO 0.91 -1.04 1.01 -1.59 -0.17 0.00 0.00 175.17 174.30 1eef s LYS 23 N -3.78 2.75 0.01 4.34 -2.85 -1.26 -0.43 119.74 118.52 1eef s LYS 23 Ca 0.03 0.17 -0.30 0.00 -1.00 0.00 0.00 55.97 54.86 1eef s LYS 23 Cb -0.02 -2.14 -0.05 0.00 -2.06 0.00 0.00 37.83 33.56 1eef s LYS 23 CO -0.09 -0.96 1.31 0.42 0.10 0.00 0.00 175.35 176.13 1eef s ILE 24 N -3.21 3.86 -0.05 3.79 1.01 -1.26 -4.75 121.20 120.59 1eef s ILE 24 Ca 0.57 1.27 -0.23 0.00 0.00 0.00 0.00 60.65 62.26 1eef s ILE 24 Cb -0.11 -3.82 -0.17 0.00 0.01 0.00 0.00 42.46 38.37 1eef s ILE 24 CO 0.48 0.03 0.95 0.25 0.00 0.00 0.00 174.94 176.66 1eef h LEU 25 N 7.78 -0.13 -8.26 2.97 5.85 -1.39 -3.47 115.31 118.65 1eef h LEU 25 Ca -0.38 -0.43 -0.29 0.00 0.84 0.00 0.00 57.88 57.62 1eef h LEU 25 Cb 1.19 0.03 -0.20 0.00 0.37 0.00 0.00 40.66 42.05 1eef h LEU 25 CO 0.87 0.44 -0.74 -0.94 -0.34 0.00 0.00 178.44 177.73 1eef s SER 26 N -5.57 1.07 -0.08 1.25 1.04 -1.10 -4.98 113.70 105.33 1eef s SER 26 Ca -0.14 -0.64 0.02 0.00 0.48 0.00 0.00 55.95 55.67 1eef s SER 26 Cb 0.00 0.03 0.01 0.00 0.10 0.00 0.00 66.02 66.17 1eef s SER 26 CO 0.54 -0.22 -0.12 -0.47 0.98 0.00 0.00 173.24 173.94 1eef s TYR 27 N -1.75 1.58 -0.04 5.02 6.14 -1.26 -2.06 117.35 124.97 1eef s TYR 27 Ca -0.05 -0.65 0.04 0.00 0.64 0.00 0.00 57.07 57.05 1eef s TYR 27 Cb -0.07 -1.17 0.00 0.00 0.42 0.00 0.00 41.96 41.13 1eef s TYR 27 CO -0.00 -0.35 -0.15 0.99 0.64 0.00 0.00 175.55 176.68 1eef s THR 28 N 0.88 1.25 -0.02 4.34 2.01 0.20 -5.00 115.64 119.31 1eef s THR 28 Ca -0.10 -0.60 0.02 0.00 0.31 0.00 0.00 61.69 61.31 1eef s THR 28 Cb -0.15 -1.09 0.01 0.00 0.01 0.00 0.00 72.50 71.28 1eef s THR 28 CO 0.01 0.37 -0.06 -0.70 -0.69 0.00 0.00 174.62 173.55 1eef s GLU 29 N 0.20 0.71 -0.03 4.92 2.12 -1.26 -0.46 118.70 124.89 1eef s GLU 29 Ca -0.06 -0.18 0.04 0.00 0.36 0.00 0.00 54.97 55.13 1eef s GLU 29 Cb -0.12 -0.70 -0.01 0.00 0.26 0.00 0.00 34.13 33.57 1eef s GLU 29 CO 0.02 0.04 -0.15 0.45 -0.54 0.00 0.00 175.26 175.08 1eef s SER 30 N 0.38 1.83 -0.02 -1.70 0.15 -0.19 -4.99 113.70 109.16 1eef s SER 30 Ca -0.05 -0.29 0.10 0.00 0.70 0.00 0.00 55.95 56.41 1eef s SER 30 Cb -0.09 -0.39 0.30 0.00 -1.71 0.00 0.00 66.02 64.13 1eef s SER 30 CO 0.00 0.15 1.25 1.15 1.20 0.00 0.00 173.24 176.99 1eef n MET 31 N 3.00 2.88 -2.11 5.44 0.00 -1.26 -2.67 117.12 122.39 1eef n MET 31 Ca -0.17 -2.08 -0.40 0.00 0.00 0.00 0.00 57.70 55.05 1eef n MET 31 Cb 0.54 -1.30 -0.02 0.00 0.00 0.00 0.00 33.22 32.44 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 3.39 0.02 3.17 0.00 -1.26 -4.85 121.76 121.04 1eef s ALA 32 Ca 0.23 1.22 -0.35 0.00 0.00 0.00 0.00 51.96 53.06 1eef s ALA 32 Cb 0.13 -3.47 -0.14 0.00 0.00 0.00 0.00 23.12 19.64 1eef s ALA 32 CO 0.14 -0.68 1.64 0.41 0.00 0.00 0.00 175.76 177.26 1eef n GLY 33 N 0.75 1.07 3.01 0.00 0.00 -1.26 -1.12 105.19 107.63 1eef n GLY 33 Ca 0.01 0.76 0.00 0.00 0.00 0.00 0.00 46.02 46.79 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 4.42 -0.21 -2.23 1.61 4.76 -1.26 -4.82 118.16 120.42 1eef n LYS 34 Ca 0.20 0.05 -0.05 0.00 -2.87 0.00 0.00 58.31 55.64 1eef n LYS 34 Cb 0.25 -3.32 0.05 0.00 -1.84 0.00 0.00 35.03 30.18 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 -1.90 1.91 -2.32 1.97 5.12 -0.28 -4.98 116.66 116.19 1eef n ARG 35 Ca 0.00 -3.41 -0.36 0.00 -1.93 0.00 0.00 57.85 52.14 1eef n ARG 35 Cb 0.05 -1.51 -0.04 0.00 -1.16 0.00 0.00 32.46 29.80 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 -3.08 3.03 0.35 5.56 8.01 -1.12 -4.42 118.70 127.02 1eef s GLU 36 Ca 0.35 -0.37 -0.08 0.00 0.01 0.00 0.00 54.97 54.88 1eef s GLU 36 Cb 0.36 -4.84 0.02 0.00 -4.31 0.00 0.00 34.13 25.35 1eef s GLU 36 CO -0.04 -2.63 0.58 0.00 0.01 0.00 0.00 175.26 173.18 1eef s MET 37 N 6.10 1.98 -0.01 1.61 0.23 -1.09 -4.12 119.30 124.00 1eef s MET 37 Ca 0.54 -1.60 0.03 0.00 -1.03 0.00 0.00 55.69 53.64 1eef s MET 37 Cb -0.06 0.51 -0.00 0.00 -1.53 0.00 0.00 34.83 33.74 1eef s MET 37 CO 0.04 -0.86 -0.10 0.08 -2.03 0.00 0.00 175.02 172.14 1eef s VAL 38 N -2.92 0.83 -0.05 5.16 1.01 -1.22 -1.03 120.40 122.18 1eef s VAL 38 Ca 0.25 -0.43 0.04 0.00 0.00 0.00 0.00 61.98 61.83 1eef s VAL 38 Cb -0.02 -0.71 0.00 0.00 0.00 0.00 0.00 36.38 35.65 1eef s VAL 38 CO 0.16 0.24 -0.17 -0.63 0.00 0.00 0.00 175.10 174.71 1eef s ILE 39 N -0.11 1.44 0.12 2.22 1.01 0.39 -1.60 121.20 124.67 1eef s ILE 39 Ca 0.02 -0.70 0.07 0.00 0.00 0.00 0.00 60.65 60.04 1eef s ILE 39 Cb -0.06 -1.26 -0.04 0.00 0.01 0.00 0.00 42.46 41.12 1eef s ILE 39 CO -0.00 0.42 -0.18 0.27 0.00 0.00 0.00 174.94 175.45 1eef s ILE 40 N 0.21 1.57 0.18 2.92 -4.36 0.36 -0.62 121.20 121.46 1eef s ILE 40 Ca -0.08 -1.67 0.03 0.00 -0.26 0.00 0.00 60.65 58.67 1eef s ILE 40 Cb -0.13 -1.57 -0.05 0.00 1.25 0.00 0.00 42.46 41.96 1eef s ILE 40 CO 0.03 -0.25 -0.02 0.42 0.24 0.00 0.00 174.94 175.37 1eef s THR 41 N -1.68 0.89 0.12 8.37 -4.23 -0.88 -0.56 115.64 117.68 1eef s THR 41 Ca 0.09 -2.01 0.04 0.00 -1.18 0.00 0.00 61.69 58.63 1eef s THR 41 Cb -0.07 -2.13 -0.04 0.00 1.34 0.00 0.00 72.50 71.60 1eef s THR 41 CO 0.04 -0.49 -0.11 -0.36 -0.54 0.00 0.00 174.62 173.16 1eef s PHE 42 N -3.51 1.20 0.52 3.99 0.08 -0.50 -0.96 117.98 118.80 1eef s PHE 42 Ca 0.24 -0.68 0.30 0.00 0.12 0.00 0.00 56.93 56.90 1eef s PHE 42 Cb 0.05 -0.63 1.42 0.00 -0.57 0.00 0.00 43.02 43.29 1eef s PHE 42 CO 0.05 0.06 1.88 -0.22 -0.10 0.00 0.00 175.22 176.89 1eef h LYS 43 N 3.23 0.06 0.00 0.44 3.64 -1.88 0.80 116.57 122.85 1eef h LYS 43 Ca -0.37 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.00 1eef h LYS 43 Cb 1.19 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1eef h LYS 43 CO 0.57 0.04 -0.02 0.66 -2.27 0.00 0.00 179.45 178.43 1eef h SER 44 N 0.06 0.00 0.00 4.20 4.64 -1.98 -3.45 113.55 117.02 1eef h SER 44 Ca 0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 1eef h SER 44 Cb 1.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.73 1eef h SER 44 CO -0.04 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 176.55 1eef n GLY 45 N -0.58 0.56 3.80 -0.77 0.00 0.27 -5.08 105.19 103.38 1eef n GLY 45 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.73 4.45 -0.04 1.61 0.41 -1.25 -4.89 118.70 118.27 1eef s GLU 46 Ca 0.00 1.25 0.02 0.00 -0.41 0.00 0.00 54.97 55.83 1eef s GLU 46 Cb 0.00 -2.58 0.01 0.00 -1.78 0.00 0.00 34.13 29.78 1eef s GLU 46 CO 0.00 0.17 -0.10 0.99 -0.49 0.00 0.00 175.26 175.83 1eef s THR 47 N -1.82 0.89 0.13 3.63 2.01 -1.26 -1.41 115.64 117.82 1eef s THR 47 Ca 0.54 -0.39 0.04 0.00 0.31 0.00 0.00 61.69 62.20 1eef s THR 47 Cb -0.15 -0.81 -0.04 0.00 0.01 0.00 0.00 72.50 71.51 1eef s THR 47 CO 0.20 0.28 -0.10 -0.36 -0.69 0.00 0.00 174.62 173.96 1eef s PHE 48 N 0.40 1.17 0.09 4.92 0.08 0.28 -3.96 117.98 120.96 1eef s PHE 48 Ca -0.07 -0.75 0.04 0.00 0.12 0.00 0.00 56.93 56.26 1eef s PHE 48 Cb -0.11 -0.61 -0.03 0.00 -0.57 0.00 0.00 43.02 41.69 1eef s PHE 48 CO 0.01 0.03 -0.10 1.14 -0.10 0.00 0.00 175.22 176.21 1eef s GLN 49 N -3.53 0.80 -0.31 0.44 -2.07 -0.25 -0.49 119.66 114.26 1eef s GLN 49 Ca 0.13 -1.09 -0.08 0.00 -1.82 0.00 0.00 55.36 52.51 1eef s GLN 49 Cb 0.02 -0.53 0.01 0.00 -1.09 0.00 0.00 33.01 31.41 1eef s GLN 49 CO -0.00 0.09 0.11 0.08 -1.32 0.00 0.00 175.29 174.25 1eef s VAL 50 N -2.18 4.21 0.81 3.63 1.01 -0.63 -0.97 120.40 126.27 1eef s VAL 50 Ca 0.03 -0.63 -0.12 0.00 0.00 0.00 0.00 61.98 61.25 1eef s VAL 50 Cb -0.04 -3.18 0.08 0.00 0.00 0.00 0.00 36.38 33.24 1eef s VAL 50 CO 0.00 0.04 1.17 -1.61 0.00 0.00 0.00 175.10 174.71 1eef s GLU 51 N 1.54 1.70 0.30 2.72 2.02 -1.26 -3.42 118.70 122.30 1eef s GLU 51 Ca 0.03 1.61 -0.29 0.00 0.02 0.00 0.00 54.97 56.34 1eef s GLU 51 Cb -0.17 -1.80 -0.10 0.00 0.10 0.00 0.00 34.13 32.16 1eef s GLU 51 CO 0.04 -2.14 1.28 0.08 0.02 0.00 0.00 175.26 174.54 1eef s VAL 52 N -2.35 2.91 0.24 2.63 1.01 -1.26 -4.89 120.40 118.68 1eef s VAL 52 Ca 0.70 0.88 -0.31 0.00 0.00 0.00 0.00 61.98 63.24 1eef s VAL 52 Cb -0.25 -3.56 -0.13 0.00 0.00 0.00 0.00 36.38 32.44 1eef s VAL 52 CO 0.52 0.20 1.51 -2.65 0.00 0.00 0.00 175.10 174.67 1eef n PRO 53 N 1.19 2.28 -2.73 2.72 -0.02 -1.26 -4.95 135.00 132.23 1eef n PRO 53 Ca 0.01 0.81 -0.07 0.00 -2.02 0.00 0.00 63.50 62.24 1eef n PRO 53 Cb 0.42 -2.54 -0.02 0.00 -0.02 0.00 0.00 33.50 31.34 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 2.51 3.50 0.30 -1.23 0.00 -1.26 -5.03 105.19 103.98 1eef n GLY 54 Ca 0.12 -1.70 0.18 0.00 0.00 0.00 0.00 46.02 44.62 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 0.72 0.00 1.33 1.61 4.64 -2.04 -1.71 113.55 118.10 1eef h SER 55 Ca -0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 1eef h SER 55 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1eef h SER 55 CO 0.12 0.03 0.00 0.06 -0.87 0.00 0.00 176.83 176.17 1eef h GLN 56 N 0.00 0.00 -6.59 4.77 -0.00 -1.97 -3.45 115.11 107.87 1eef h GLN 56 Ca -0.00 0.00 -0.52 0.00 -0.00 0.00 0.00 58.65 58.13 1eef h GLN 56 Cb 0.12 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 27.57 1eef h GLN 56 CO 0.00 0.00 0.12 -1.01 -0.00 0.00 0.00 178.83 177.95 1eef s HIS 57 N -3.46 3.65 0.26 0.06 3.76 -0.64 -5.07 115.29 113.85 1eef s HIS 57 Ca 0.04 1.41 0.01 0.00 -0.15 0.00 0.00 55.06 56.38 1eef s HIS 57 Cb 0.08 -2.64 -0.04 0.00 1.11 0.00 0.00 32.58 31.09 1eef s HIS 57 CO 0.57 0.33 0.43 0.96 -0.85 0.00 0.00 174.74 176.18 1eef s ILE 58 N -1.53 5.19 0.25 0.60 -4.36 -1.26 -4.92 121.20 115.16 1eef s ILE 58 Ca 0.43 -0.56 -0.13 0.00 -0.26 0.00 0.00 60.65 60.13 1eef s ILE 58 Cb -0.17 -3.81 0.34 0.00 1.25 0.00 0.00 42.46 40.07 1eef s ILE 58 CO 0.21 -0.34 1.56 0.44 0.24 0.00 0.00 174.94 177.06 1eef h ASP 59 N 1.38 -1.10 -0.13 4.36 3.32 -1.99 0.89 116.42 123.15 1eef h ASP 59 Ca -0.50 0.29 0.04 0.00 0.02 0.00 0.00 57.03 56.88 1eef h ASP 59 Cb 1.21 0.65 -0.01 0.00 0.22 0.00 0.00 39.33 41.40 1eef h ASP 59 CO 0.64 -0.30 0.26 0.77 -1.72 0.00 0.00 179.24 178.88 1eef h SER 60 N -0.01 0.00 1.47 6.45 4.64 -2.03 0.19 113.55 124.25 1eef h SER 60 Ca 0.40 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.69 1eef h SER 60 Cb 0.65 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.73 1eef h SER 60 CO -0.96 0.00 -0.55 1.56 -0.87 0.00 0.00 176.83 176.02 1eef h GLN 61 N 0.00 0.00 -0.31 4.77 4.20 -1.20 -3.31 115.11 119.26 1eef h GLN 61 Ca 0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1eef h GLN 61 Cb 0.58 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.34 1eef h GLN 61 CO -0.00 0.11 0.20 0.87 -0.67 0.00 0.00 178.83 179.34 1eef h LYS 62 N 0.00 0.40 -0.55 1.46 1.79 -0.91 0.30 116.57 119.07 1eef h LYS 62 Ca -0.02 -0.02 -0.08 0.00 -2.18 0.00 0.00 60.65 58.34 1eef h LYS 62 Cb 1.12 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 31.66 1eef h LYS 62 CO 0.01 0.27 0.01 0.87 -1.08 0.00 0.00 179.45 179.53 1eef h LYS 63 N 0.41 0.94 -0.43 3.15 1.57 -1.70 -2.86 116.57 117.65 1eef h LYS 63 Ca 0.11 -0.27 -0.09 0.00 -1.87 0.00 0.00 60.65 58.53 1eef h LYS 63 Cb -0.04 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 1eef h LYS 63 CO -0.03 0.92 -0.10 0.00 -0.57 0.00 0.00 179.45 179.68 1eef h ALA 64 N 1.13 1.02 -0.66 3.86 0.00 -1.51 -1.88 119.26 121.22 1eef h ALA 64 Ca 0.16 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1eef h ALA 64 Cb 0.50 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1eef h ALA 64 CO 0.02 0.59 0.39 0.82 0.00 0.00 0.00 179.25 181.07 1eef h ILE 65 N 0.69 1.20 -0.38 0.00 2.04 -0.22 -0.22 117.51 120.62 1eef h ILE 65 Ca 0.12 -0.46 -0.08 0.00 1.00 0.00 0.00 64.86 65.44 1eef h ILE 65 Cb 0.57 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 1eef h ILE 65 CO 0.04 0.21 -0.11 -0.33 0.00 0.00 0.00 178.15 177.95 1eef h GLU 66 N 0.90 0.67 -0.29 2.37 4.39 -1.27 -2.57 114.58 118.78 1eef h GLU 66 Ca 0.24 -0.21 -0.03 0.00 0.34 0.00 0.00 59.36 59.69 1eef h GLU 66 Cb -0.00 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 1eef h GLU 66 CO -0.04 0.77 0.05 -0.09 -1.16 0.00 0.00 179.01 178.54 1eef h ARG 67 N 0.61 0.48 -0.73 2.33 2.43 -0.84 -1.70 114.38 116.96 1eef h ARG 67 Ca 0.11 -0.12 0.05 0.00 -0.81 0.00 0.00 59.98 59.20 1eef h ARG 67 Cb 0.55 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.99 1eef h ARG 67 CO 0.03 0.57 0.44 1.98 -1.51 0.00 0.00 179.97 181.49 1eef h MET 68 N 0.30 0.80 -0.60 0.20 4.05 -0.83 0.14 114.93 118.99 1eef h MET 68 Ca 0.09 -0.05 -0.07 0.00 -0.28 0.00 0.00 59.70 59.40 1eef h MET 68 Cb 0.33 -0.18 -0.03 0.00 -0.80 0.00 0.00 31.60 30.92 1eef h MET 68 CO 0.00 0.53 0.11 0.87 0.23 0.00 0.00 176.91 178.65 1eef h LYS 69 N 0.83 0.95 -0.32 0.39 1.57 -1.25 0.18 116.57 118.92 1eef h LYS 69 Ca 0.31 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1eef h LYS 69 Cb 0.11 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 1eef h LYS 69 CO -0.15 0.87 0.18 -0.44 -0.57 0.00 0.00 179.45 179.34 1eef h ASP 70 N 0.90 0.41 -0.52 0.86 3.32 -0.28 -2.04 116.42 119.08 1eef h ASP 70 Ca 0.19 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 1eef h ASP 70 Cb 0.38 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 1eef h ASP 70 CO 0.01 0.38 0.30 0.74 -1.72 0.00 0.00 179.24 178.95 1eef h THR 71 N 0.40 1.16 -0.46 0.35 2.02 -0.37 -2.21 112.91 113.81 1eef h THR 71 Ca 0.11 -0.39 -0.04 0.00 0.77 0.00 0.00 66.41 66.86 1eef h THR 71 Cb 0.07 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 66.94 1eef h THR 71 CO -0.02 0.17 0.10 -0.07 0.37 0.00 0.00 175.52 176.08 1eef h LEU 72 N 0.70 0.65 -0.03 2.58 3.38 -0.77 -0.58 115.31 121.23 1eef h LEU 72 Ca 0.19 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1eef h LEU 72 Cb 0.01 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 1eef h LEU 72 CO -0.03 0.65 -0.01 -0.09 0.09 0.00 0.00 178.44 179.05 1eef h ARG 73 N 0.68 0.07 -0.35 1.13 2.43 -1.02 -1.04 114.38 116.28 1eef h ARG 73 Ca 0.15 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.21 1eef h ARG 73 Cb 0.26 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 1eef h ARG 73 CO -0.00 0.41 -0.15 0.97 -1.51 0.00 0.00 179.97 179.68 1eef h ILE 74 N -0.28 1.25 -0.35 1.20 6.09 -1.32 -0.46 117.51 123.64 1eef h ILE 74 Ca 0.01 -1.16 -0.01 0.00 -1.37 0.00 0.00 64.86 62.33 1eef h ILE 74 Cb 0.38 1.15 -0.02 0.00 0.47 0.00 0.00 36.82 38.80 1eef h ILE 74 CO 0.00 0.38 0.18 0.74 -3.07 0.00 0.00 178.15 176.39 1eef h THR 75 N 0.57 1.15 0.02 2.19 2.02 -1.05 -1.20 112.91 116.61 1eef h THR 75 Ca 0.10 -0.39 -0.00 0.00 0.77 0.00 0.00 66.41 66.88 1eef h THR 75 Cb 0.59 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 1eef h THR 75 CO 0.04 0.15 -0.01 0.22 0.37 0.00 0.00 175.52 176.29 1eef h TYR 76 N 0.43 -0.03 0.00 3.16 3.20 -0.84 -0.53 116.97 122.36 1eef h TYR 76 Ca 0.12 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.95 1eef h TYR 76 Cb 0.08 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 1eef h TYR 76 CO -0.02 0.06 -0.21 -0.07 -1.64 0.00 0.00 178.16 176.28 1eef h LEU 77 N -0.12 0.00 -1.06 2.82 3.38 -0.90 -2.23 115.31 117.21 1eef h LEU 77 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1eef h LEU 77 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1eef h LEU 77 CO 0.01 0.21 -0.06 0.35 0.09 0.00 0.00 178.44 179.03 1eef n THR 78 N -4.29 0.00 -3.76 0.22 -2.24 -0.47 -4.94 114.28 98.81 1eef n THR 78 Ca -0.02 -0.27 -0.27 0.00 -2.27 0.00 0.00 64.05 61.21 1eef n THR 78 Cb 0.27 0.69 0.05 0.00 -2.10 0.00 0.00 70.33 69.24 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 0.24 -6.51 -2.58 -0.78 1.02 -0.51 -4.94 120.64 106.58 1eef n GLU 79 Ca 0.17 0.70 -0.41 0.00 -0.02 0.00 0.00 57.16 57.60 1eef n GLU 79 Cb 0.40 -5.66 -0.04 0.00 -0.02 0.00 0.00 31.44 26.12 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 3.92 -0.00 2.62 2.01 -0.32 -4.82 115.64 115.74 1eef s THR 80 Ca 0.63 1.75 -0.30 0.00 0.31 0.00 0.00 61.69 64.07 1eef s THR 80 Cb -0.30 -4.11 -0.04 0.00 0.01 0.00 0.00 72.50 68.06 1eef s THR 80 CO 0.77 0.34 1.20 -0.75 -0.69 0.00 0.00 174.62 175.49 1eef s LYS 81 N -0.68 4.39 0.04 4.92 2.20 -1.26 -4.34 119.74 125.00 1eef s LYS 81 Ca 0.46 1.71 -0.20 0.00 -0.36 0.00 0.00 55.97 57.58 1eef s LYS 81 Cb -0.28 -3.47 -0.06 0.00 -1.51 0.00 0.00 37.83 32.51 1eef s LYS 81 CO 0.35 -0.35 0.59 0.42 -0.36 0.00 0.00 175.35 175.99 1eef s ILE 82 N 1.68 4.81 0.00 5.43 1.01 0.42 -4.11 121.20 130.45 1eef s ILE 82 Ca 0.57 1.25 0.00 0.00 0.00 0.00 0.00 60.65 62.47 1eef s ILE 82 Cb -0.27 -3.92 0.00 0.00 0.01 0.00 0.00 42.46 38.28 1eef s ILE 82 CO 0.25 0.49 0.00 -0.67 0.00 0.00 0.00 174.94 175.01 1eef n ASP 83 N 2.22 0.00 -4.38 3.58 -0.08 0.16 -0.26 116.55 117.79 1eef n ASP 83 Ca -0.08 0.07 -0.20 0.00 -1.51 0.00 0.00 54.79 53.06 1eef n ASP 83 Cb 0.51 -0.08 -0.10 0.00 2.34 0.00 0.00 41.12 43.79 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 -0.16 1.43 -0.05 -0.67 1.02 -1.15 0.21 119.74 120.37 1eef s LYS 84 Ca 0.00 -1.67 0.02 0.00 0.02 0.00 0.00 55.97 54.34 1eef s LYS 84 Cb 0.00 -1.15 0.01 0.00 -0.52 0.00 0.00 37.83 36.17 1eef s LYS 84 CO 0.00 0.13 -0.11 -0.51 -0.92 0.00 0.00 175.35 173.93 1eef s LEU 85 N -3.37 1.67 -0.28 3.17 1.43 0.01 -1.64 118.68 119.67 1eef s LEU 85 Ca 0.26 -0.27 -0.11 0.00 -1.03 0.00 0.00 54.13 52.98 1eef s LEU 85 Cb 0.01 -0.76 -0.05 0.00 0.03 0.00 0.00 46.19 45.42 1eef s LEU 85 CO 0.09 0.04 0.19 0.00 0.23 0.00 0.00 176.35 176.91 1eef s VAL 87 N 1.69 1.54 -0.17 0.00 -7.23 0.53 -0.58 120.40 116.18 1eef s VAL 87 Ca 0.07 -1.82 -0.21 0.00 -1.81 0.00 0.00 61.98 58.21 1eef s VAL 87 Cb -0.16 -1.68 -0.03 0.00 0.56 0.00 0.00 36.38 35.07 1eef s VAL 87 CO 0.10 -0.39 0.64 0.26 -0.31 0.00 0.00 175.10 175.41 1eef s TRP 88 N -2.16 3.42 -1.17 2.82 0.51 0.19 -0.84 118.94 121.72 1eef s TRP 88 Ca 0.12 1.00 0.15 0.00 -2.12 0.00 0.00 56.10 55.25 1eef s TRP 88 Cb -0.05 -2.80 0.59 0.00 -0.81 0.00 0.00 33.47 30.41 1eef s TRP 88 CO 0.04 -0.11 1.47 0.27 -0.51 0.00 0.00 176.95 178.11 1eef n ASN 89 N 4.77 4.02 -1.64 2.95 0.23 0.51 -1.58 115.26 124.53 1eef n ASN 89 Ca -0.01 -2.39 -0.13 0.00 -0.53 0.00 0.00 54.58 51.52 1eef n ASN 89 Cb 0.50 -0.53 0.19 0.00 -2.08 0.00 0.00 39.78 37.86 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 0.85 3.03 -3.91 0.53 6.94 -1.26 -4.93 115.26 116.52 1eef n ASN 90 Ca 0.21 -3.72 -0.10 0.00 -0.02 0.00 0.00 54.58 50.95 1eef n ASN 90 Cb 0.77 -0.73 -0.10 0.00 -2.36 0.00 0.00 39.78 37.35 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 -3.28 0.40 -0.14 -3.83 -0.14 -1.26 -5.08 119.74 106.42 1eef s LYS 91 Ca 0.50 -0.44 -0.01 0.00 -1.36 0.00 0.00 55.97 54.66 1eef s LYS 91 Cb 0.44 0.16 0.03 0.00 -1.68 0.00 0.00 37.83 36.79 1eef s LYS 91 CO 0.04 -0.09 -0.06 0.99 -0.76 0.00 0.00 175.35 175.48 1eef s THR 92 N -1.33 1.00 1.10 2.17 2.01 -1.26 -2.56 115.64 116.77 1eef s THR 92 Ca -0.14 -0.42 -0.13 0.00 0.31 0.00 0.00 61.69 61.31 1eef s THR 92 Cb -0.08 -1.12 0.24 0.00 0.01 0.00 0.00 72.50 71.56 1eef s THR 92 CO 0.01 0.24 1.06 -2.84 -0.69 0.00 0.00 174.62 172.39 1eef s PRO 93 N 1.70 -0.37 0.54 4.92 0.02 -1.26 -5.07 135.00 135.47 1eef s PRO 93 Ca 0.03 0.64 -0.22 0.00 0.02 0.00 0.00 61.00 61.47 1eef s PRO 93 Cb -0.14 -1.63 -0.05 0.00 0.02 0.00 0.00 34.50 32.70 1eef s PRO 93 CO -0.08 -3.30 1.33 -0.80 -0.33 0.00 0.00 177.00 173.82 1eef s ASN 94 N -2.99 5.38 -0.19 2.53 -0.87 -1.06 -4.59 114.94 113.16 1eef s ASN 94 Ca 0.67 2.69 -0.09 0.00 -1.57 0.00 0.00 52.86 54.57 1eef s ASN 94 Cb -0.22 -2.63 -0.05 0.00 -0.02 0.00 0.00 41.25 38.34 1eef s ASN 94 CO 0.61 -1.49 0.10 -0.55 -2.57 0.00 0.00 177.10 173.20 1eef s SER 95 N -1.03 5.95 -0.03 -1.22 0.15 -0.61 -1.09 113.70 115.82 1eef s SER 95 Ca 0.71 0.17 -0.30 0.00 0.70 0.00 0.00 55.95 57.22 1eef s SER 95 Cb -0.39 -2.03 -0.04 0.00 -1.71 0.00 0.00 66.02 61.85 1eef s SER 95 CO 0.46 0.18 1.32 -0.63 1.20 0.00 0.00 173.24 175.77 1eef s ILE 96 N 0.34 3.95 -0.16 6.45 1.01 -0.14 0.56 121.20 133.20 1eef s ILE 96 Ca 0.06 1.30 0.05 0.00 0.00 0.00 0.00 60.65 62.06 1eef s ILE 96 Cb -0.12 -3.83 -0.13 0.00 0.01 0.00 0.00 42.46 38.39 1eef s ILE 96 CO -0.01 -0.01 -0.08 0.00 0.00 0.00 0.00 174.94 174.84 1eef n ALA 97 N 5.40 1.64 -3.09 9.38 0.00 0.26 -4.87 120.51 129.23 1eef n ALA 97 Ca 0.12 -0.80 -0.11 0.00 0.00 0.00 0.00 53.44 52.66 1eef n ALA 97 Cb 0.45 0.05 -0.04 0.00 0.00 0.00 0.00 19.45 19.91 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 -1.05 -0.01 0.00 0.00 -0.99 -4.98 121.76 112.39 1eef s ALA 98 Ca -0.17 0.04 -0.03 0.00 0.00 0.00 0.00 51.96 51.80 1eef s ALA 98 Cb 0.05 0.74 -0.00 0.00 0.00 0.00 0.00 23.12 23.91 1eef s ALA 98 CO 0.46 -0.67 0.06 -1.50 0.00 0.00 0.00 175.76 174.10 1eef s ILE 99 N -3.80 0.05 0.02 0.00 2.07 -1.26 -1.35 121.20 116.93 1eef s ILE 99 Ca 0.03 -0.40 0.04 0.00 -1.41 0.00 0.00 60.65 58.91 1eef s ILE 99 Cb 0.01 -0.22 -0.02 0.00 0.13 0.00 0.00 42.46 42.36 1eef s ILE 99 CO -0.12 -0.22 -0.12 -0.94 -1.91 0.00 0.00 174.94 171.63 1eef s SER 100 N -0.68 1.42 0.00 4.50 1.04 -0.65 -4.98 113.70 114.35 1eef s SER 100 Ca -0.08 -0.36 0.04 0.00 0.48 0.00 0.00 55.95 56.04 1eef s SER 100 Cb -0.05 -0.11 -0.01 0.00 0.10 0.00 0.00 66.02 65.96 1eef s SER 100 CO 0.00 0.05 -0.13 -0.04 0.98 0.00 0.00 173.24 174.10 1eef s MET 101 N -0.83 1.05 -0.27 4.02 -1.94 -1.26 0.40 119.30 120.46 1eef s MET 101 Ca 0.02 -0.53 -0.23 0.00 -1.71 0.00 0.00 55.69 53.23 1eef s MET 101 Cb -0.07 -1.02 0.08 0.00 2.01 0.00 0.00 34.83 35.83 1eef s MET 101 CO 0.01 0.27 0.76 0.21 -0.01 0.00 0.00 175.02 176.26 1eef s LYS 102 N -0.49 0.76 0.00 2.03 2.20 -1.26 -4.84 119.74 118.14 1eef s LYS 102 Ca 0.04 0.98 0.00 0.00 -0.36 0.00 0.00 55.97 56.64 1eef s LYS 102 Cb -0.06 0.33 0.00 0.00 -1.51 0.00 0.00 37.83 36.59 1eef s LYS 102 CO -0.00 -0.10 0.00 0.09 -0.36 0.00 0.00 175.35 174.97