#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 3.19 0.00 0.00 0.04 -1.26 -4.95 135.00 132.02 1eef s PRO 2 Ca 0.00 2.04 0.10 0.00 0.04 0.00 0.00 61.00 63.18 1eef s PRO 2 Cb 0.00 -2.19 0.08 0.00 0.04 0.00 0.00 34.50 32.43 1eef s PRO 2 CO 0.00 -1.09 0.81 0.00 0.04 0.00 0.00 177.00 176.76 1eef n GLN 3 N -1.10 0.40 -4.05 4.56 10.64 -1.26 -4.91 117.38 121.66 1eef n GLN 3 Ca 0.11 -1.07 -0.09 0.00 -1.83 0.00 0.00 57.00 54.11 1eef n GLN 3 Cb 0.47 -1.19 -0.09 0.00 -0.86 0.00 0.00 30.24 28.58 1eef n GLN 3 CO 0.00 0.00 0.00 0.95 -1.83 0.00 0.00 177.06 176.18 1eef s THR 4 N -0.83 0.10 0.45 -0.39 -4.23 -1.26 -5.02 115.64 104.46 1eef s THR 4 Ca 0.11 -1.65 0.21 0.00 -1.18 0.00 0.00 61.69 59.19 1eef s THR 4 Cb 0.08 -1.86 0.25 0.00 1.34 0.00 0.00 72.50 72.31 1eef s THR 4 CO 0.12 -0.47 2.05 -0.29 -0.54 0.00 0.00 174.62 175.49 1eef h ILE 5 N 2.77 0.83 -0.18 2.99 2.10 -1.95 -1.53 117.51 122.54 1eef h ILE 5 Ca -0.34 -0.52 -0.13 0.00 1.08 0.00 0.00 64.86 64.95 1eef h ILE 5 Cb 1.20 1.31 0.00 0.00 -1.09 0.00 0.00 36.82 38.24 1eef h ILE 5 CO 0.56 0.14 -0.38 0.74 -1.08 0.00 0.00 178.15 178.12 1eef h THR 6 N 0.00 1.34 -0.48 2.19 2.02 -1.98 0.13 112.91 116.12 1eef h THR 6 Ca -0.00 -1.62 -0.02 0.00 0.77 0.00 0.00 66.41 65.53 1eef h THR 6 Cb 0.30 1.92 -0.02 0.00 -1.74 0.00 0.00 68.15 68.60 1eef h THR 6 CO 0.02 0.50 0.21 -0.33 0.37 0.00 0.00 175.52 176.29 1eef h GLU 7 N 0.23 0.71 -0.39 6.66 5.08 -1.85 -1.88 114.58 123.15 1eef h GLU 7 Ca 0.00 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 1eef h GLU 7 Cb 0.98 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.10 1eef h GLU 7 CO 0.08 0.62 0.12 1.25 -1.00 0.00 0.00 179.01 180.08 1eef h LEU 8 N 0.64 0.57 -1.87 1.33 6.46 -1.24 -2.86 115.31 118.33 1eef h LEU 8 Ca 0.16 -0.21 -0.03 0.00 -0.12 0.00 0.00 57.88 57.69 1eef h LEU 8 Cb 0.16 -0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 39.94 1eef h LEU 8 CO -0.02 0.62 -0.13 0.00 -0.62 0.00 0.00 178.44 178.30 1eef n SER 10 N -3.98 0.43 -0.04 0.00 3.41 -0.72 -2.95 113.62 109.77 1eef n SER 10 Ca -0.02 0.60 0.14 0.00 -0.26 0.00 0.00 58.87 59.32 1eef n SER 10 Cb 0.22 -0.69 0.53 0.00 -0.26 0.00 0.00 64.21 64.00 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 -1.96 0.26 -4.45 4.33 1.02 -0.82 -4.91 120.64 114.09 1eef n GLU 11 Ca 0.03 -0.08 -0.25 0.00 -0.02 0.00 0.00 57.16 56.84 1eef n GLU 11 Cb 0.22 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.04 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 -2.80 2.29 0.51 -0.32 1.51 -1.15 -5.14 117.35 112.25 1eef s TYR 12 Ca 0.19 -0.34 -0.07 0.00 -1.01 0.00 0.00 57.07 55.84 1eef s TYR 12 Cb 0.19 -1.04 -0.04 0.00 -0.11 0.00 0.00 41.96 40.96 1eef s TYR 12 CO 0.55 0.65 0.84 0.50 -1.11 0.00 0.00 175.55 176.98 1eef s ARG 13 N -3.23 3.59 -1.74 -0.62 3.52 -1.26 -4.22 118.95 114.98 1eef s ARG 13 Ca 0.27 0.37 0.00 0.00 -0.13 0.00 0.00 55.73 56.24 1eef s ARG 13 Cb -0.06 -2.30 0.00 0.00 -1.56 0.00 0.00 34.95 31.03 1eef s ARG 13 CO 0.13 -0.27 0.00 0.09 -0.81 0.00 0.00 175.30 174.44 1eef n ASN 14 N -2.26 -5.17 -4.51 -2.12 4.13 -1.26 -4.96 115.26 99.10 1eef n ASN 14 Ca 0.02 0.21 -0.25 0.00 1.68 0.00 0.00 54.58 56.24 1eef n ASN 14 Cb 0.55 -4.44 -0.10 0.00 -1.54 0.00 0.00 39.78 34.24 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 -2.78 2.30 0.07 3.41 -4.23 -1.26 -0.08 115.64 113.07 1eef s THR 15 Ca 0.00 -2.27 -0.26 0.00 -1.18 0.00 0.00 61.69 57.98 1eef s THR 15 Cb 0.00 -2.51 0.07 0.00 1.34 0.00 0.00 72.50 71.39 1eef s THR 15 CO 0.00 -0.28 0.61 0.00 -0.54 0.00 0.00 174.62 174.41 1eef s GLN 16 N -3.58 1.16 -0.15 3.99 -2.07 -0.48 -4.89 119.66 113.65 1eef s GLN 16 Ca 0.31 -0.18 -0.13 0.00 -1.82 0.00 0.00 55.36 53.54 1eef s GLN 16 Cb -0.00 0.54 -0.05 0.00 -1.09 0.00 0.00 33.01 32.41 1eef s GLN 16 CO 0.16 -0.45 0.26 0.42 -1.32 0.00 0.00 175.29 174.36 1eef s ILE 17 N -2.66 5.32 -0.14 3.63 -1.09 -1.26 -1.29 121.20 123.71 1eef s ILE 17 Ca -0.04 0.49 0.00 0.00 -2.23 0.00 0.00 60.65 58.87 1eef s ILE 17 Cb -0.01 -3.59 -0.01 0.00 -1.58 0.00 0.00 42.46 37.27 1eef s ILE 17 CO -0.03 0.43 -0.15 -0.31 -1.23 0.00 0.00 174.94 173.65 1eef s TYR 18 N 0.18 2.77 -0.41 3.97 2.02 0.37 -4.97 117.35 121.28 1eef s TYR 18 Ca 0.16 -0.87 -0.19 0.00 -0.37 0.00 0.00 57.07 55.79 1eef s TYR 18 Cb -0.13 -1.86 0.02 0.00 -0.40 0.00 0.00 41.96 39.59 1eef s TYR 18 CO 0.04 -0.36 0.57 0.99 -1.57 0.00 0.00 175.55 175.22 1eef s THR 19 N 0.59 4.93 -0.20 -0.71 2.01 -1.26 -0.68 115.64 120.31 1eef s THR 19 Ca -0.09 0.06 -0.20 0.00 0.31 0.00 0.00 61.69 61.77 1eef s THR 19 Cb -0.16 -4.11 -0.19 0.00 0.01 0.00 0.00 72.50 68.04 1eef s THR 19 CO 0.03 -0.47 0.20 -0.38 -0.69 0.00 0.00 174.62 173.31 1eef n ILE 20 N 5.66 1.56 -3.93 1.82 2.08 0.87 -4.99 119.36 122.43 1eef n ILE 20 Ca -0.04 -0.10 -0.28 0.00 0.56 0.00 0.00 62.75 62.90 1eef n ILE 20 Cb 0.48 -2.01 -0.01 0.00 -0.75 0.00 0.00 39.64 37.35 1eef n ILE 20 CO 0.00 0.00 0.00 -3.20 0.56 0.00 0.00 176.55 173.91 1eef n ASN 21 N -4.34 -1.40 -3.55 4.38 5.15 -0.30 -4.95 115.26 110.24 1eef n ASN 21 Ca -0.33 -1.04 -0.08 0.00 -0.60 0.00 0.00 54.58 52.53 1eef n ASN 21 Cb 0.72 -2.97 -0.03 0.00 -0.53 0.00 0.00 39.78 36.98 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 -4.16 -0.31 0.71 1.20 2.15 -0.76 -4.93 116.67 110.59 1eef s ASP 22 Ca 0.12 0.12 -0.11 0.00 0.43 0.00 0.00 52.55 53.10 1eef s ASP 22 Cb -0.05 0.30 0.02 0.00 -0.30 0.00 0.00 42.92 42.89 1eef s ASP 22 CO 0.89 -0.44 1.10 -1.59 -0.17 0.00 0.00 175.17 174.97 1eef s LYS 23 N -2.32 2.80 0.14 4.34 -2.85 -1.26 -1.01 119.74 119.58 1eef s LYS 23 Ca 0.04 0.44 -0.30 0.00 -1.00 0.00 0.00 55.97 55.15 1eef s LYS 23 Cb -0.01 -2.02 -0.08 0.00 -2.06 0.00 0.00 37.83 33.67 1eef s LYS 23 CO -0.05 -1.07 1.27 0.42 0.10 0.00 0.00 175.35 176.02 1eef s ILE 24 N -3.37 3.53 -0.05 3.79 1.01 -1.26 -4.68 121.20 120.18 1eef s ILE 24 Ca 0.58 1.19 -0.17 0.00 0.00 0.00 0.00 60.65 62.25 1eef s ILE 24 Cb -0.11 -3.76 -0.31 0.00 0.01 0.00 0.00 42.46 38.29 1eef s ILE 24 CO 0.52 0.14 0.79 0.25 0.00 0.00 0.00 174.94 176.64 1eef h LEU 25 N 5.97 0.56 -7.81 2.97 5.85 -0.84 -3.48 115.31 118.53 1eef h LEU 25 Ca -0.43 -0.92 -0.16 0.00 0.84 0.00 0.00 57.88 57.21 1eef h LEU 25 Cb 1.21 -0.18 -0.22 0.00 0.37 0.00 0.00 40.66 41.84 1eef h LEU 25 CO 0.79 1.59 -0.58 -0.94 -0.34 0.00 0.00 178.44 178.96 1eef s SER 26 N -7.19 0.08 -0.09 1.25 1.04 -0.99 -4.98 113.70 102.82 1eef s SER 26 Ca -0.15 -0.25 0.03 0.00 0.48 0.00 0.00 55.95 56.07 1eef s SER 26 Cb 0.03 0.17 0.01 0.00 0.10 0.00 0.00 66.02 66.33 1eef s SER 26 CO 0.84 -0.30 -0.18 -0.47 0.98 0.00 0.00 173.24 174.12 1eef s TYR 27 N -1.19 2.04 -0.07 5.02 5.04 -1.26 -1.97 117.35 124.95 1eef s TYR 27 Ca -0.13 -0.83 0.03 0.00 -2.44 0.00 0.00 57.07 53.70 1eef s TYR 27 Cb -0.07 -1.41 0.00 0.00 0.35 0.00 0.00 41.96 40.83 1eef s TYR 27 CO 0.00 -0.38 -0.17 0.99 -1.34 0.00 0.00 175.55 174.66 1eef s THR 28 N 0.57 1.48 -0.05 4.34 2.01 0.47 -5.00 115.64 119.47 1eef s THR 28 Ca -0.15 -0.70 0.02 0.00 0.31 0.00 0.00 61.69 61.17 1eef s THR 28 Cb -0.17 -1.30 0.02 0.00 0.01 0.00 0.00 72.50 71.06 1eef s THR 28 CO 0.05 0.43 -0.08 -0.70 -0.69 0.00 0.00 174.62 173.63 1eef s GLU 29 N 0.39 1.15 -0.03 4.92 2.12 -1.26 -0.50 118.70 125.48 1eef s GLU 29 Ca -0.13 -0.25 0.05 0.00 0.36 0.00 0.00 54.97 55.00 1eef s GLU 29 Cb -0.15 -1.04 -0.01 0.00 0.26 0.00 0.00 34.13 33.19 1eef s GLU 29 CO 0.05 -0.00 -0.18 0.45 -0.54 0.00 0.00 175.26 175.03 1eef s SER 30 N 0.68 2.24 -0.02 -1.70 0.15 -0.52 -4.99 113.70 109.54 1eef s SER 30 Ca -0.11 -0.36 0.07 0.00 0.70 0.00 0.00 55.95 56.25 1eef s SER 30 Cb -0.14 -0.49 0.19 0.00 -1.71 0.00 0.00 66.02 63.87 1eef s SER 30 CO 0.02 0.19 1.15 1.15 1.20 0.00 0.00 173.24 176.94 1eef n MET 31 N 2.94 2.81 -2.11 5.44 0.00 -1.26 -2.64 117.12 122.29 1eef n MET 31 Ca -0.17 -1.92 -0.41 0.00 0.00 0.00 0.00 57.70 55.21 1eef n MET 31 Cb 0.53 -1.22 -0.02 0.00 0.00 0.00 0.00 33.22 32.51 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 -1.29 3.52 0.05 3.17 0.00 -1.26 -4.85 121.76 121.10 1eef s ALA 32 Ca 0.15 1.25 -0.35 0.00 0.00 0.00 0.00 51.96 53.02 1eef s ALA 32 Cb 0.10 -3.49 -0.14 0.00 0.00 0.00 0.00 23.12 19.59 1eef s ALA 32 CO 0.07 -0.64 1.61 0.41 0.00 0.00 0.00 175.76 177.21 1eef n GLY 33 N 1.16 1.03 2.97 0.00 0.00 -1.26 -0.74 105.19 108.34 1eef n GLY 33 Ca 0.02 0.74 0.00 0.00 0.00 0.00 0.00 46.02 46.77 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 4.12 -0.11 -2.60 1.61 4.76 -1.26 -4.82 118.16 119.85 1eef n LYS 34 Ca 0.19 0.03 -0.06 0.00 -2.87 0.00 0.00 58.31 55.60 1eef n LYS 34 Cb 0.25 -3.08 0.04 0.00 -1.84 0.00 0.00 35.03 30.41 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 -2.03 2.17 -2.47 1.97 5.12 0.08 -5.00 116.66 116.49 1eef n ARG 35 Ca 0.00 -3.65 -0.39 0.00 -1.93 0.00 0.00 57.85 51.89 1eef n ARG 35 Cb 0.03 -1.75 -0.03 0.00 -1.16 0.00 0.00 32.46 29.55 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 -3.69 3.43 0.34 5.56 8.01 -1.14 -4.31 118.70 126.90 1eef s GLU 36 Ca 0.33 -1.06 -0.07 0.00 0.01 0.00 0.00 54.97 54.18 1eef s GLU 36 Cb 0.34 -5.32 0.02 0.00 -4.31 0.00 0.00 34.13 24.86 1eef s GLU 36 CO -0.02 -2.44 0.56 0.00 0.01 0.00 0.00 175.26 173.36 1eef s MET 37 N 5.28 1.95 0.03 1.61 0.23 -1.08 -4.19 119.30 123.13 1eef s MET 37 Ca 0.51 -1.61 0.05 0.00 -1.03 0.00 0.00 55.69 53.61 1eef s MET 37 Cb -0.01 0.50 -0.02 0.00 -1.53 0.00 0.00 34.83 33.77 1eef s MET 37 CO -0.07 -0.84 -0.14 0.08 -2.03 0.00 0.00 175.02 172.02 1eef s VAL 38 N -2.98 1.12 -0.03 5.16 1.01 -1.21 -1.44 120.40 122.02 1eef s VAL 38 Ca 0.25 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.31 1eef s VAL 38 Cb -0.02 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.37 1eef s VAL 38 CO 0.17 0.05 -0.07 -0.63 0.00 0.00 0.00 175.10 174.62 1eef s ILE 39 N -0.77 0.66 0.12 2.22 1.01 0.34 -1.62 121.20 123.17 1eef s ILE 39 Ca 0.02 -0.26 0.08 0.00 0.00 0.00 0.00 60.65 60.49 1eef s ILE 39 Cb -0.07 -0.62 -0.04 0.00 0.01 0.00 0.00 42.46 41.74 1eef s ILE 39 CO 0.01 0.23 -0.19 0.27 0.00 0.00 0.00 174.94 175.25 1eef s ILE 40 N 0.46 1.69 0.06 2.92 -4.36 -0.26 -0.40 121.20 121.31 1eef s ILE 40 Ca -0.07 -1.66 0.01 0.00 -0.26 0.00 0.00 60.65 58.68 1eef s ILE 40 Cb -0.11 -1.62 -0.03 0.00 1.25 0.00 0.00 42.46 41.95 1eef s ILE 40 CO 0.01 -0.17 -0.06 0.42 0.24 0.00 0.00 174.94 175.38 1eef s THR 41 N -1.49 0.47 0.44 8.37 -4.23 -0.83 -1.16 115.64 117.21 1eef s THR 41 Ca 0.09 -1.50 0.07 0.00 -1.18 0.00 0.00 61.69 59.17 1eef s THR 41 Cb -0.08 -1.12 -0.02 0.00 1.34 0.00 0.00 72.50 72.62 1eef s THR 41 CO 0.05 -0.69 0.28 -0.36 -0.54 0.00 0.00 174.62 173.35 1eef s PHE 42 N -2.68 2.44 0.45 3.99 0.08 -0.79 -0.13 117.98 121.33 1eef s PHE 42 Ca 0.00 -0.61 0.17 0.00 0.12 0.00 0.00 56.93 56.61 1eef s PHE 42 Cb -0.01 -2.01 1.11 0.00 -0.57 0.00 0.00 43.02 41.54 1eef s PHE 42 CO -0.04 -0.03 1.95 -0.22 -0.10 0.00 0.00 175.22 176.78 1eef h LYS 43 N 1.17 0.32 0.00 0.44 1.63 -1.91 0.32 116.57 118.55 1eef h LYS 43 Ca -0.41 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.36 1eef h LYS 43 Cb 1.27 -0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 32.82 1eef h LYS 43 CO 0.64 0.21 -0.06 0.66 -3.45 0.00 0.00 179.45 177.46 1eef h SER 44 N 0.33 0.00 0.00 4.20 4.64 -1.98 -3.45 113.55 117.29 1eef h SER 44 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1eef h SER 44 Cb 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 1eef h SER 44 CO -0.08 0.06 0.00 0.61 -0.87 0.00 0.00 176.83 176.54 1eef n GLY 45 N -0.83 0.38 3.73 -0.77 0.00 0.11 -5.05 105.19 102.77 1eef n GLY 45 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1eef n GLY 45 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1eef n GLU 46 N -1.52 2.67 -5.04 1.61 2.13 -1.26 -4.68 120.64 114.55 1eef n GLU 46 Ca 0.00 0.96 -0.30 0.00 0.66 0.00 0.00 57.16 58.48 1eef n GLU 46 Cb 0.00 -2.76 -0.15 0.00 0.27 0.00 0.00 31.44 28.80 1eef n GLU 46 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1eef s THR 47 N 0.53 2.04 0.14 6.31 2.01 -1.26 -1.89 115.64 123.51 1eef s THR 47 Ca 0.70 -1.24 0.01 0.00 0.31 0.00 0.00 61.69 61.46 1eef s THR 47 Cb -0.52 -1.72 -0.04 0.00 0.01 0.00 0.00 72.50 70.23 1eef s THR 47 CO 0.41 0.44 -0.00 -0.36 -0.69 0.00 0.00 174.62 174.42 1eef s PHE 48 N -0.71 0.99 0.08 4.92 0.08 -0.31 -3.78 117.98 119.26 1eef s PHE 48 Ca 0.11 -1.06 0.01 0.00 0.12 0.00 0.00 56.93 56.11 1eef s PHE 48 Cb -0.10 -0.57 -0.04 0.00 -0.57 0.00 0.00 43.02 41.74 1eef s PHE 48 CO 0.01 -0.29 -0.06 1.14 -0.10 0.00 0.00 175.22 175.92 1eef s GLN 49 N -3.93 0.76 -0.25 0.44 -2.07 -0.33 -1.10 119.66 113.18 1eef s GLN 49 Ca 0.20 -1.26 -0.06 0.00 -1.82 0.00 0.00 55.36 52.41 1eef s GLN 49 Cb 0.06 -0.13 -0.01 0.00 -1.09 0.00 0.00 33.01 31.84 1eef s GLN 49 CO 0.00 -0.03 0.05 0.08 -1.32 0.00 0.00 175.29 174.07 1eef s VAL 50 N -3.49 4.01 0.70 3.63 1.01 -0.64 -1.00 120.40 124.63 1eef s VAL 50 Ca 0.09 -0.37 -0.16 0.00 0.00 0.00 0.00 61.98 61.54 1eef s VAL 50 Cb 0.04 -2.91 0.02 0.00 0.00 0.00 0.00 36.38 33.53 1eef s VAL 50 CO -0.05 0.30 1.20 -1.61 0.00 0.00 0.00 175.10 174.94 1eef s GLU 51 N 1.56 2.35 0.28 2.72 2.02 -1.26 -3.36 118.70 123.00 1eef s GLU 51 Ca 0.05 1.76 -0.29 0.00 0.02 0.00 0.00 54.97 56.50 1eef s GLU 51 Cb -0.15 -1.86 -0.10 0.00 0.10 0.00 0.00 34.13 32.12 1eef s GLU 51 CO 0.02 -1.67 1.36 0.08 0.02 0.00 0.00 175.26 175.07 1eef s VAL 52 N -1.92 2.77 0.34 2.63 1.01 -1.26 -4.90 120.40 119.07 1eef s VAL 52 Ca 0.75 0.69 -0.29 0.00 0.00 0.00 0.00 61.98 63.13 1eef s VAL 52 Cb -0.29 -3.44 -0.12 0.00 0.00 0.00 0.00 36.38 32.53 1eef s VAL 52 CO 0.43 0.13 1.48 -2.65 0.00 0.00 0.00 175.10 174.49 1eef n PRO 53 N 1.72 2.56 -1.23 2.72 -0.02 -1.26 -4.96 135.00 134.54 1eef n PRO 53 Ca 0.04 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 1eef n PRO 53 Cb 0.41 -2.62 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 1.05 2.82 0.31 -1.23 0.00 -1.26 -5.02 105.19 101.86 1eef n GLY 54 Ca 0.04 -1.22 0.15 0.00 0.00 0.00 0.00 46.02 45.00 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 0.00 0.00 0.37 1.61 0.02 -2.02 -0.24 113.55 113.29 1eef h SER 55 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1eef h SER 55 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1eef h SER 55 CO 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 1eef n GLN 56 N -3.90 0.46 -4.07 3.45 0.00 -1.26 -4.75 117.38 107.32 1eef n GLN 56 Ca -0.01 0.04 -0.36 0.00 0.00 0.00 0.00 57.00 56.67 1eef n GLN 56 Cb 0.18 -1.50 -0.08 0.00 0.00 0.00 0.00 30.24 28.84 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 -2.44 3.38 0.59 2.61 3.76 -0.10 -5.11 115.29 117.98 1eef s HIS 57 Ca 0.27 0.32 -0.03 0.00 -0.15 0.00 0.00 55.06 55.47 1eef s HIS 57 Cb 0.17 -1.92 0.03 0.00 1.11 0.00 0.00 32.58 31.97 1eef s HIS 57 CO 0.37 0.52 0.87 0.96 -0.85 0.00 0.00 174.74 176.60 1eef s ILE 58 N -0.66 3.00 0.30 0.60 -4.36 -1.26 -4.88 121.20 113.93 1eef s ILE 58 Ca 0.12 -0.35 0.03 0.00 -0.26 0.00 0.00 60.65 60.19 1eef s ILE 58 Cb -0.12 -3.19 0.29 0.00 1.25 0.00 0.00 42.46 40.70 1eef s ILE 58 CO 0.02 -0.17 1.85 0.44 0.24 0.00 0.00 174.94 177.32 1eef h ASP 59 N -0.15 0.87 0.44 4.36 3.32 -1.99 -1.75 116.42 121.52 1eef h ASP 59 Ca -0.44 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 56.64 1eef h ASP 59 Cb 1.29 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.71 1eef h ASP 59 CO 0.58 0.46 -0.04 0.77 -1.72 0.00 0.00 179.24 179.28 1eef h SER 60 N 0.93 0.00 1.79 6.45 4.64 -2.04 -2.03 113.55 123.29 1eef h SER 60 Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 1eef h SER 60 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1eef h SER 60 CO -0.25 0.04 0.00 1.56 -0.87 0.00 0.00 176.83 177.31 1eef h GLN 61 N 0.00 0.00 -0.11 4.77 4.20 -1.69 -3.35 115.11 118.93 1eef h GLN 61 Ca -0.00 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.75 1eef h GLN 61 Cb 0.27 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.00 1eef h GLN 61 CO 0.01 0.00 -0.21 0.87 -0.67 0.00 0.00 178.83 178.83 1eef h LYS 62 N 0.00 -0.27 -0.11 1.46 1.79 -1.42 0.20 116.57 118.23 1eef h LYS 62 Ca 0.00 0.02 -0.08 0.00 -2.18 0.00 0.00 60.65 58.41 1eef h LYS 62 Cb 0.90 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.60 1eef h LYS 62 CO 0.00 -0.18 -0.31 0.87 -1.08 0.00 0.00 179.45 178.76 1eef h LYS 63 N -0.28 0.21 -0.44 3.15 1.57 -1.77 -2.80 116.57 116.22 1eef h LYS 63 Ca 0.09 -0.08 -0.11 0.00 -1.87 0.00 0.00 60.65 58.69 1eef h LYS 63 Cb 0.41 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 1eef h LYS 63 CO -0.27 0.50 -0.17 0.00 -0.57 0.00 0.00 179.45 178.94 1eef h ALA 64 N 1.50 0.88 -0.33 3.86 0.00 -1.48 -0.99 119.26 122.71 1eef h ALA 64 Ca 0.03 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1eef h ALA 64 Cb 0.64 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1eef h ALA 64 CO 0.05 0.63 0.16 0.82 0.00 0.00 0.00 179.25 180.91 1eef h ILE 65 N 0.74 1.16 -0.67 0.00 2.04 -0.37 -0.58 117.51 119.82 1eef h ILE 65 Ca 0.11 -0.45 -0.03 0.00 1.00 0.00 0.00 64.86 65.49 1eef h ILE 65 Cb 0.68 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 1eef h ILE 65 CO 0.05 0.17 0.31 -0.33 0.00 0.00 0.00 178.15 178.34 1eef h GLU 66 N 0.40 0.96 -0.30 2.37 4.39 -1.29 -2.47 114.58 118.64 1eef h GLU 66 Ca 0.11 -0.14 -0.08 0.00 0.34 0.00 0.00 59.36 59.60 1eef h GLU 66 Cb 0.12 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 1eef h GLU 66 CO -0.01 0.76 -0.13 -0.09 -1.16 0.00 0.00 179.01 178.37 1eef h ARG 67 N 0.96 0.62 -0.72 2.33 2.43 -0.80 -1.48 114.38 117.71 1eef h ARG 67 Ca 0.23 -0.26 0.05 0.00 -0.81 0.00 0.00 59.98 59.19 1eef h ARG 67 Cb 0.12 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.60 1eef h ARG 67 CO -0.03 0.84 0.43 1.98 -1.51 0.00 0.00 179.97 181.68 1eef h MET 68 N 0.38 0.78 -0.71 0.20 4.05 -0.91 0.29 114.93 119.01 1eef h MET 68 Ca 0.07 -0.05 -0.07 0.00 -0.28 0.00 0.00 59.70 59.37 1eef h MET 68 Cb 0.64 -0.18 -0.03 0.00 -0.80 0.00 0.00 31.60 31.24 1eef h MET 68 CO 0.04 0.52 0.17 0.87 0.23 0.00 0.00 176.91 178.74 1eef h LYS 69 N 0.80 1.14 -0.60 0.39 1.57 -1.24 -0.51 116.57 118.12 1eef h LYS 69 Ca 0.31 -0.28 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1eef h LYS 69 Cb 0.14 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 1eef h LYS 69 CO -0.16 1.01 0.31 -0.44 -0.57 0.00 0.00 179.45 179.60 1eef h ASP 70 N 1.08 0.76 -0.11 0.86 3.32 -0.17 -2.17 116.42 120.00 1eef h ASP 70 Ca 0.22 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 1eef h ASP 70 Cb 0.38 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1eef h ASP 70 CO 0.00 0.65 0.06 0.74 -1.72 0.00 0.00 179.24 178.98 1eef h THR 71 N 0.82 1.08 -0.76 0.35 2.02 -0.07 -2.24 112.91 114.10 1eef h THR 71 Ca 0.21 -0.21 0.02 0.00 0.77 0.00 0.00 66.41 67.20 1eef h THR 71 Cb 0.07 1.03 -0.04 0.00 -1.74 0.00 0.00 68.15 67.47 1eef h THR 71 CO -0.03 0.07 0.49 -0.07 0.37 0.00 0.00 175.52 176.35 1eef h LEU 72 N 0.09 0.84 0.27 2.58 3.38 -0.94 -0.26 115.31 121.27 1eef h LEU 72 Ca 0.04 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1eef h LEU 72 Cb 0.06 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1eef h LEU 72 CO -0.01 0.59 -0.23 -0.09 0.09 0.00 0.00 178.44 178.80 1eef h ARG 73 N 0.99 -0.49 -0.25 1.13 2.43 -1.24 -0.88 114.38 116.07 1eef h ARG 73 Ca 0.29 0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.42 1eef h ARG 73 Cb -0.06 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1eef h ARG 73 CO -0.08 -0.33 -0.15 0.97 -1.51 0.00 0.00 179.97 178.86 1eef h ILE 74 N -0.51 1.23 -0.18 1.20 6.09 -1.21 -1.19 117.51 122.93 1eef h ILE 74 Ca -0.01 -1.02 -0.14 0.00 -1.37 0.00 0.00 64.86 62.32 1eef h ILE 74 Cb 0.46 1.21 -0.01 0.00 0.47 0.00 0.00 36.82 38.95 1eef h ILE 74 CO -0.03 0.33 -0.49 0.71 -3.07 0.00 0.00 178.15 175.60 1eef h THR 75 N 0.39 1.32 -0.17 2.19 1.35 -0.90 -1.45 112.91 115.65 1eef h THR 75 Ca 0.07 -1.70 -0.01 0.00 -0.55 0.00 0.00 66.41 64.21 1eef h THR 75 Cb 0.50 1.71 -0.01 0.00 -1.73 0.00 0.00 68.15 68.62 1eef h THR 75 CO 0.03 0.53 0.06 0.22 -0.25 0.00 0.00 175.52 176.11 1eef h TYR 76 N 0.39 0.27 -0.37 4.73 3.20 -0.72 -1.17 116.97 123.29 1eef h TYR 76 Ca 0.02 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 1eef h TYR 76 Cb 0.99 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 39.17 1eef h TYR 76 CO 0.04 0.35 0.12 -0.07 -1.64 0.00 0.00 178.16 176.96 1eef h LEU 77 N 0.11 0.49 -0.98 2.82 3.38 -1.06 -2.10 115.31 117.97 1eef h LEU 77 Ca 0.06 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1eef h LEU 77 Cb 0.21 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1eef h LEU 77 CO -0.00 0.48 0.00 0.35 0.09 0.00 0.00 178.44 179.35 1eef n THR 78 N -4.36 0.06 -3.79 0.22 -2.24 -0.56 -4.93 114.28 98.68 1eef n THR 78 Ca 0.02 -0.27 -0.27 0.00 -2.27 0.00 0.00 64.05 61.26 1eef n THR 78 Cb 0.17 0.44 0.04 0.00 -2.10 0.00 0.00 70.33 68.88 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 0.19 -6.08 -2.89 -0.78 1.02 -0.73 -4.95 120.64 106.42 1eef n GLU 79 Ca 0.18 0.67 -0.40 0.00 -0.02 0.00 0.00 57.16 57.59 1eef n GLU 79 Cb 0.34 -5.56 -0.05 0.00 -0.02 0.00 0.00 31.44 26.16 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 -3.36 4.65 0.15 2.62 2.01 -0.52 -4.88 115.64 116.30 1eef s THR 80 Ca 0.53 1.79 -0.30 0.00 0.31 0.00 0.00 61.69 64.01 1eef s THR 80 Cb -0.26 -4.19 -0.08 0.00 0.01 0.00 0.00 72.50 67.99 1eef s THR 80 CO 0.80 0.35 1.26 -0.54 -0.69 0.00 0.00 174.62 175.80 1eef s LYS 81 N -0.05 4.42 -0.13 4.92 1.02 -1.26 -4.30 119.74 124.36 1eef s LYS 81 Ca 0.41 1.93 -0.15 0.00 0.02 0.00 0.00 55.97 58.19 1eef s LYS 81 Cb -0.22 -3.25 -0.05 0.00 -0.52 0.00 0.00 37.83 33.80 1eef s LYS 81 CO 0.25 -0.23 0.34 0.42 -0.92 0.00 0.00 175.35 175.21 1eef s ILE 82 N 0.44 5.25 0.00 2.17 1.01 -0.18 -3.99 121.20 125.91 1eef s ILE 82 Ca 0.57 0.66 0.00 0.00 0.00 0.00 0.00 60.65 61.88 1eef s ILE 82 Cb -0.34 -3.67 0.00 0.00 0.01 0.00 0.00 42.46 38.46 1eef s ILE 82 CO 0.34 0.41 0.00 -0.67 0.00 0.00 0.00 174.94 175.02 1eef n ASP 83 N 3.31 0.00 -4.39 3.58 2.03 0.96 -1.15 116.55 120.90 1eef n ASP 83 Ca -0.11 0.36 -0.19 0.00 0.52 0.00 0.00 54.79 55.36 1eef n ASP 83 Cb 0.52 -0.44 -0.10 0.00 -0.72 0.00 0.00 41.12 40.38 1eef n ASP 83 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1eef s LYS 84 N -0.88 1.48 -0.03 -0.67 1.02 -1.16 -0.09 119.74 119.42 1eef s LYS 84 Ca 0.00 -1.77 0.01 0.00 0.02 0.00 0.00 55.97 54.23 1eef s LYS 84 Cb 0.00 -0.84 0.01 0.00 -0.52 0.00 0.00 37.83 36.48 1eef s LYS 84 CO 0.00 -0.08 -0.04 -0.51 -0.92 0.00 0.00 175.35 173.80 1eef s LEU 85 N -3.39 1.53 -0.26 3.17 1.43 0.14 -1.56 118.68 119.73 1eef s LEU 85 Ca 0.31 -0.11 -0.10 0.00 -1.03 0.00 0.00 54.13 53.20 1eef s LEU 85 Cb 0.06 -0.38 -0.04 0.00 0.03 0.00 0.00 46.19 45.86 1eef s LEU 85 CO 0.11 -0.02 0.15 0.00 0.23 0.00 0.00 176.35 176.82 1eef s VAL 87 N 1.58 1.14 -0.09 0.00 -7.23 -0.41 -0.72 120.40 114.67 1eef s VAL 87 Ca 0.07 -1.63 -0.24 0.00 -1.81 0.00 0.00 61.98 58.36 1eef s VAL 87 Cb -0.15 -1.40 -0.03 0.00 0.56 0.00 0.00 36.38 35.36 1eef s VAL 87 CO 0.08 -0.45 0.75 0.26 -0.31 0.00 0.00 175.10 175.42 1eef s TRP 88 N -2.16 3.54 -1.39 2.82 0.51 0.10 -1.38 118.94 121.00 1eef s TRP 88 Ca 0.06 1.28 0.16 0.00 -2.12 0.00 0.00 56.10 55.48 1eef s TRP 88 Cb -0.05 -2.88 0.61 0.00 -0.81 0.00 0.00 33.47 30.34 1eef s TRP 88 CO 0.02 -0.00 1.49 0.27 -0.51 0.00 0.00 176.95 178.22 1eef n ASN 89 N 4.15 3.97 -1.76 2.95 0.23 0.89 -2.20 115.26 123.49 1eef n ASN 89 Ca 0.01 -2.30 0.06 0.00 -0.53 0.00 0.00 54.58 51.83 1eef n ASN 89 Cb 0.51 -0.51 0.37 0.00 -2.08 0.00 0.00 39.78 38.07 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 1.03 5.27 -4.11 0.53 6.94 -1.26 -4.89 115.26 118.77 1eef n ASN 90 Ca 0.22 -2.82 -0.12 0.00 -0.02 0.00 0.00 54.58 51.84 1eef n ASN 90 Cb 0.72 -0.66 -0.11 0.00 -2.36 0.00 0.00 39.78 37.37 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 -2.55 0.66 -0.12 -3.83 -0.14 -1.26 -5.09 119.74 107.42 1eef s LYS 91 Ca 0.50 -0.99 -0.01 0.00 -1.36 0.00 0.00 55.97 54.10 1eef s LYS 91 Cb 0.37 -0.29 0.03 0.00 -1.68 0.00 0.00 37.83 36.27 1eef s LYS 91 CO 0.15 0.03 -0.03 0.99 -0.76 0.00 0.00 175.35 175.73 1eef s THR 92 N -2.25 0.75 1.05 2.17 2.01 -1.26 -2.84 115.64 115.27 1eef s THR 92 Ca -0.01 -0.22 -0.12 0.00 0.31 0.00 0.00 61.69 61.65 1eef s THR 92 Cb -0.04 -0.90 0.22 0.00 0.01 0.00 0.00 72.50 71.79 1eef s THR 92 CO -0.01 0.23 1.07 -2.84 -0.69 0.00 0.00 174.62 172.38 1eef s PRO 93 N 1.81 -0.04 0.42 4.92 0.02 -1.26 -5.06 135.00 135.81 1eef s PRO 93 Ca 0.04 1.02 -0.26 0.00 0.02 0.00 0.00 61.00 61.82 1eef s PRO 93 Cb -0.13 -1.64 -0.09 0.00 0.02 0.00 0.00 34.50 32.65 1eef s PRO 93 CO -0.07 -3.18 1.43 -0.80 -0.33 0.00 0.00 177.00 174.05 1eef s ASN 94 N -2.73 6.07 -0.20 2.53 0.02 -1.13 -4.57 114.94 114.94 1eef s ASN 94 Ca 0.67 2.93 -0.14 0.00 -1.02 0.00 0.00 52.86 55.30 1eef s ASN 94 Cb -0.23 -2.66 -0.04 0.00 0.02 0.00 0.00 41.25 38.34 1eef s ASN 94 CO 0.61 -1.04 0.30 -0.55 0.02 0.00 0.00 177.10 176.44 1eef s SER 95 N -0.43 6.35 -0.09 -1.22 0.15 -0.93 -1.18 113.70 116.35 1eef s SER 95 Ca 0.58 0.40 -0.30 0.00 0.70 0.00 0.00 55.95 57.33 1eef s SER 95 Cb -0.44 -2.18 -0.04 0.00 -1.71 0.00 0.00 66.02 61.65 1eef s SER 95 CO 0.57 0.02 1.43 -0.63 1.20 0.00 0.00 173.24 175.83 1eef s ILE 96 N 0.98 3.92 -0.25 6.45 1.01 -0.17 0.03 121.20 133.18 1eef s ILE 96 Ca 0.15 1.16 0.00 0.00 0.00 0.00 0.00 60.65 61.96 1eef s ILE 96 Cb -0.14 -3.75 -0.16 0.00 0.01 0.00 0.00 42.46 38.43 1eef s ILE 96 CO 0.06 -0.08 -0.23 0.00 0.00 0.00 0.00 174.94 174.69 1eef n ALA 97 N 6.51 1.45 -2.88 9.38 0.00 0.10 -4.88 120.51 130.20 1eef n ALA 97 Ca 0.15 -1.05 -0.10 0.00 0.00 0.00 0.00 53.44 52.44 1eef n ALA 97 Cb 0.44 -0.04 -0.05 0.00 0.00 0.00 0.00 19.45 19.79 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 -2.49 -0.72 0.01 0.00 0.00 -0.84 -4.98 121.76 112.74 1eef s ALA 98 Ca -0.33 -0.22 -0.03 0.00 0.00 0.00 0.00 51.96 51.37 1eef s ALA 98 Cb 0.09 0.64 -0.01 0.00 0.00 0.00 0.00 23.12 23.84 1eef s ALA 98 CO 0.56 -0.61 0.04 -1.50 0.00 0.00 0.00 175.76 174.25 1eef s ILE 99 N -3.82 0.09 0.03 0.00 2.07 -1.26 -1.06 121.20 117.25 1eef s ILE 99 Ca 0.04 -0.78 0.03 0.00 -1.41 0.00 0.00 60.65 58.53 1eef s ILE 99 Cb 0.03 -0.33 -0.02 0.00 0.13 0.00 0.00 42.46 42.27 1eef s ILE 99 CO -0.11 -0.43 -0.10 -0.94 -1.91 0.00 0.00 174.94 171.44 1eef s SER 100 N -1.37 1.19 -0.02 4.50 1.04 -0.60 -5.00 113.70 113.44 1eef s SER 100 Ca -0.15 -0.38 0.02 0.00 0.48 0.00 0.00 55.95 55.92 1eef s SER 100 Cb -0.09 -0.06 0.00 0.00 0.10 0.00 0.00 66.02 65.97 1eef s SER 100 CO 0.00 -0.01 -0.07 -0.04 0.98 0.00 0.00 173.24 174.10 1eef s MET 101 N -0.95 0.73 0.01 4.02 -1.94 -1.26 -0.03 119.30 119.88 1eef s MET 101 Ca -0.01 -0.23 0.02 0.00 -1.71 0.00 0.00 55.69 53.76 1eef s MET 101 Cb -0.07 -0.70 -0.01 0.00 2.01 0.00 0.00 34.83 36.06 1eef s MET 101 CO 0.01 0.08 -0.06 0.21 -0.01 0.00 0.00 175.02 175.25 1eef s LYS 102 N 0.19 0.44 0.00 2.03 2.20 -1.26 -4.86 119.74 118.49 1eef s LYS 102 Ca -0.02 -0.37 0.10 0.00 -0.36 0.00 0.00 55.97 55.32 1eef s LYS 102 Cb -0.07 -0.35 0.08 0.00 -1.51 0.00 0.00 37.83 35.98 1eef s LYS 102 CO 0.00 0.09 0.82 0.09 -0.36 0.00 0.00 175.35 175.99