#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 2.36 0.00 0.00 0.04 -1.26 -4.97 135.00 131.17 1eef s PRO 2 Ca 0.00 1.51 0.12 0.00 0.04 0.00 0.00 61.00 62.66 1eef s PRO 2 Cb 0.00 -1.88 -0.11 0.00 0.04 0.00 0.00 34.50 32.55 1eef s PRO 2 CO 0.00 -1.62 0.53 1.04 0.04 0.00 0.00 177.00 177.00 1eef n GLN 3 N -2.80 2.93 -4.01 4.56 6.02 -1.26 -4.96 117.38 117.86 1eef n GLN 3 Ca 0.11 -0.11 -0.08 0.00 -0.01 0.00 0.00 57.00 56.92 1eef n GLN 3 Cb 0.51 -1.07 -0.09 0.00 1.02 0.00 0.00 30.24 30.62 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 0.17 0.46 5.09 -4.23 -1.26 -5.03 115.64 108.80 1eef s THR 4 Ca 0.05 -1.59 0.14 0.00 -1.18 0.00 0.00 61.69 59.11 1eef s THR 4 Cb 0.09 -1.56 0.21 0.00 1.34 0.00 0.00 72.50 72.58 1eef s THR 4 CO 0.46 -0.76 2.03 -0.29 -0.54 0.00 0.00 174.62 175.51 1eef h ILE 5 N 2.94 1.10 -0.11 2.99 2.10 -1.96 -1.76 117.51 122.81 1eef h ILE 5 Ca -0.34 -0.45 -0.20 0.00 1.08 0.00 0.00 64.86 64.94 1eef h ILE 5 Cb 1.17 1.17 0.00 0.00 -1.09 0.00 0.00 36.82 38.08 1eef h ILE 5 CO 0.61 0.14 -0.76 0.71 -1.08 0.00 0.00 178.15 177.76 1eef h THR 6 N 0.07 1.33 -0.55 2.19 1.35 -1.98 0.78 112.91 116.10 1eef h THR 6 Ca 0.02 -2.08 -0.05 0.00 -0.55 0.00 0.00 66.41 63.74 1eef h THR 6 Cb 0.22 2.07 -0.02 0.00 -1.73 0.00 0.00 68.15 68.69 1eef h THR 6 CO 0.01 0.64 0.14 -0.33 -0.25 0.00 0.00 175.52 175.73 1eef h GLU 7 N 0.39 0.89 -0.56 4.72 5.08 -1.89 -1.56 114.58 121.65 1eef h GLU 7 Ca -0.04 -0.21 -0.08 0.00 -1.00 0.00 0.00 59.36 58.03 1eef h GLU 7 Cb 1.37 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 1eef h GLU 7 CO 0.14 0.83 0.05 1.25 -1.00 0.00 0.00 179.01 180.28 1eef h LEU 8 N 0.79 0.92 -0.95 1.33 6.46 -1.23 -3.06 115.31 119.57 1eef h LEU 8 Ca 0.17 -0.28 -0.01 0.00 -0.12 0.00 0.00 57.88 57.64 1eef h LEU 8 Cb 0.34 -0.25 -0.04 0.00 -0.73 0.00 0.00 40.66 39.98 1eef h LEU 8 CO 0.00 0.97 0.52 0.00 -0.62 0.00 0.00 178.44 179.32 1eef n SER 10 N -4.34 0.24 0.00 0.00 3.41 -0.62 -2.23 113.62 110.07 1eef n SER 10 Ca 0.10 0.57 0.14 0.00 -0.26 0.00 0.00 58.87 59.42 1eef n SER 10 Cb 0.08 -0.61 0.70 0.00 -0.26 0.00 0.00 64.21 64.12 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 -1.77 0.33 -4.39 4.33 1.02 -0.85 -4.83 120.64 114.48 1eef n GLU 11 Ca 0.02 0.01 -0.28 0.00 -0.02 0.00 0.00 57.16 56.90 1eef n GLU 11 Cb 0.16 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 29.96 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 -2.66 2.35 0.43 -0.32 1.51 -0.95 -5.13 117.35 112.58 1eef s TYR 12 Ca 0.25 -0.35 -0.10 0.00 -1.01 0.00 0.00 57.07 55.86 1eef s TYR 12 Cb 0.19 -1.21 -0.06 0.00 -0.11 0.00 0.00 41.96 40.77 1eef s TYR 12 CO 0.46 0.43 0.79 0.50 -1.11 0.00 0.00 175.55 176.61 1eef s ARG 13 N -2.39 3.73 -1.48 -0.62 6.06 -1.26 -4.25 118.95 118.75 1eef s ARG 13 Ca 0.18 0.44 -0.01 0.00 -2.50 0.00 0.00 55.73 53.84 1eef s ARG 13 Cb -0.09 -2.37 0.00 0.00 0.06 0.00 0.00 34.95 32.55 1eef s ARG 13 CO 0.09 -0.10 0.11 0.09 -2.50 0.00 0.00 175.30 172.99 1eef n ASN 14 N -1.55 -5.23 -4.41 -2.12 5.03 -1.26 -4.96 115.26 100.76 1eef n ASN 14 Ca 0.02 -0.06 -0.21 0.00 0.87 0.00 0.00 54.58 55.20 1eef n ASN 14 Cb 0.54 -4.26 -0.10 0.00 -1.02 0.00 0.00 39.78 34.94 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 -2.92 1.88 0.06 3.41 -4.23 -1.26 -0.72 115.64 111.86 1eef s THR 15 Ca 0.05 -2.22 -0.25 0.00 -1.18 0.00 0.00 61.69 58.09 1eef s THR 15 Cb -0.02 -2.28 0.06 0.00 1.34 0.00 0.00 72.50 71.60 1eef s THR 15 CO 0.07 -0.43 0.60 0.00 -0.54 0.00 0.00 174.62 174.32 1eef s GLN 16 N -3.65 1.13 -0.19 3.99 -2.07 -0.60 -4.92 119.66 113.36 1eef s GLN 16 Ca 0.27 -0.16 -0.15 0.00 -1.82 0.00 0.00 55.36 53.50 1eef s GLN 16 Cb 0.00 0.52 -0.04 0.00 -1.09 0.00 0.00 33.01 32.41 1eef s GLN 16 CO 0.11 -0.43 0.36 0.42 -1.32 0.00 0.00 175.29 174.43 1eef s ILE 17 N -2.52 5.24 -0.20 3.63 -1.09 -1.26 -1.09 121.20 123.91 1eef s ILE 17 Ca -0.05 0.65 -0.04 0.00 -2.23 0.00 0.00 60.65 58.98 1eef s ILE 17 Cb -0.01 -3.69 -0.02 0.00 -1.58 0.00 0.00 42.46 37.16 1eef s ILE 17 CO -0.02 0.30 -0.02 -0.31 -1.23 0.00 0.00 174.94 173.66 1eef s TYR 18 N 1.01 3.00 -0.33 3.97 1.51 0.12 -4.96 117.35 121.67 1eef s TYR 18 Ca 0.18 -0.60 -0.21 0.00 -1.01 0.00 0.00 57.07 55.43 1eef s TYR 18 Cb -0.14 -2.07 -0.00 0.00 -0.11 0.00 0.00 41.96 39.64 1eef s TYR 18 CO 0.07 -0.32 0.67 0.99 -1.11 0.00 0.00 175.55 175.85 1eef s THR 19 N 1.07 4.87 -0.20 -0.71 2.01 -1.26 -0.54 115.64 120.88 1eef s THR 19 Ca 0.02 0.79 -0.15 0.00 0.31 0.00 0.00 61.69 62.65 1eef s THR 19 Cb -0.14 -4.08 -0.10 0.00 0.01 0.00 0.00 72.50 68.19 1eef s THR 19 CO 0.01 -0.27 -0.15 -0.38 -0.69 0.00 0.00 174.62 173.14 1eef n ILE 20 N 5.55 1.49 -3.83 1.82 2.08 0.85 -4.99 119.36 122.33 1eef n ILE 20 Ca 0.00 0.01 -0.24 0.00 0.56 0.00 0.00 62.75 63.08 1eef n ILE 20 Cb 0.49 -2.18 0.01 0.00 -0.75 0.00 0.00 39.64 37.20 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 -4.46 -1.07 -3.55 4.38 5.15 0.17 -4.96 115.26 110.92 1eef n ASN 21 Ca -0.26 -0.90 -0.09 0.00 -0.60 0.00 0.00 54.58 52.74 1eef n ASN 21 Cb 0.57 -3.61 -0.02 0.00 -0.53 0.00 0.00 39.78 36.19 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 -4.28 -0.39 0.68 1.20 2.15 -0.97 -4.91 116.67 110.15 1eef s ASP 22 Ca 0.06 -0.13 -0.09 0.00 0.43 0.00 0.00 52.55 52.82 1eef s ASP 22 Cb -0.03 0.50 0.02 0.00 -0.30 0.00 0.00 42.92 43.11 1eef s ASP 22 CO 0.85 -0.84 1.03 -1.59 -0.17 0.00 0.00 175.17 174.44 1eef s LYS 23 N -3.42 2.73 0.18 4.34 -2.85 -1.26 -0.72 119.74 118.75 1eef s LYS 23 Ca 0.06 0.20 -0.30 0.00 -1.00 0.00 0.00 55.97 54.93 1eef s LYS 23 Cb -0.02 -2.11 -0.08 0.00 -2.06 0.00 0.00 37.83 33.56 1eef s LYS 23 CO -0.07 -0.99 1.26 0.42 0.10 0.00 0.00 175.35 176.07 1eef s ILE 24 N -3.24 3.41 -0.12 3.79 1.01 -1.26 -4.72 121.20 120.06 1eef s ILE 24 Ca 0.57 1.16 -0.23 0.00 0.00 0.00 0.00 60.65 62.15 1eef s ILE 24 Cb -0.11 -3.74 -0.20 0.00 0.01 0.00 0.00 42.46 38.42 1eef s ILE 24 CO 0.49 0.17 0.67 0.25 0.00 0.00 0.00 174.94 176.52 1eef h LEU 25 N 5.45 -0.01 -8.19 2.97 5.85 -1.17 -3.48 115.31 116.73 1eef h LEU 25 Ca -0.44 -0.74 -0.33 0.00 0.84 0.00 0.00 57.88 57.20 1eef h LEU 25 Cb 1.21 0.00 -0.23 0.00 0.37 0.00 0.00 40.66 42.02 1eef h LEU 25 CO 0.77 0.83 -0.75 -0.94 -0.34 0.00 0.00 178.44 178.00 1eef s SER 26 N -6.01 1.07 -0.10 1.25 1.04 -1.02 -4.99 113.70 104.94 1eef s SER 26 Ca -0.15 -0.47 0.04 0.00 0.48 0.00 0.00 55.95 55.84 1eef s SER 26 Cb -0.02 -0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.09 1eef s SER 26 CO 0.55 -0.11 -0.22 -0.47 0.98 0.00 0.00 173.24 173.98 1eef s TYR 27 N -1.08 2.36 -0.05 5.02 6.14 -1.26 -2.24 117.35 126.24 1eef s TYR 27 Ca -0.05 -0.98 0.04 0.00 0.64 0.00 0.00 57.07 56.72 1eef s TYR 27 Cb -0.08 -1.60 -0.00 0.00 0.42 0.00 0.00 41.96 40.69 1eef s TYR 27 CO 0.01 -0.41 -0.18 0.99 0.64 0.00 0.00 175.55 176.60 1eef s THR 28 N 0.45 1.50 -0.02 4.34 2.01 0.49 -5.00 115.64 119.41 1eef s THR 28 Ca -0.17 -0.75 0.01 0.00 0.31 0.00 0.00 61.69 61.09 1eef s THR 28 Cb -0.17 -1.28 0.01 0.00 0.01 0.00 0.00 72.50 71.06 1eef s THR 28 CO 0.07 0.43 -0.02 -0.70 -0.69 0.00 0.00 174.62 173.71 1eef s GLU 29 N 0.04 0.35 -0.04 4.92 2.12 -1.26 -0.41 118.70 124.43 1eef s GLU 29 Ca -0.04 -0.05 0.04 0.00 0.36 0.00 0.00 54.97 55.28 1eef s GLU 29 Cb -0.12 -0.42 -0.00 0.00 0.26 0.00 0.00 34.13 33.85 1eef s GLU 29 CO 0.02 -0.02 -0.15 0.45 -0.54 0.00 0.00 175.26 175.02 1eef s SER 30 N 0.44 1.94 -0.01 -1.70 0.15 -0.50 -4.99 113.70 109.04 1eef s SER 30 Ca -0.05 -0.31 0.08 0.00 0.70 0.00 0.00 55.95 56.37 1eef s SER 30 Cb -0.08 -0.50 0.23 0.00 -1.71 0.00 0.00 66.02 63.96 1eef s SER 30 CO -0.01 0.14 1.19 1.15 1.20 0.00 0.00 173.24 176.91 1eef n MET 31 N 3.13 2.89 -2.17 5.44 0.00 -1.26 -2.62 117.12 122.53 1eef n MET 31 Ca -0.18 -1.94 -0.40 0.00 0.00 0.00 0.00 57.70 55.19 1eef n MET 31 Cb 0.53 -1.22 -0.02 0.00 0.00 0.00 0.00 33.22 32.52 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 -1.08 3.33 -0.12 3.17 0.00 -1.26 -4.83 121.76 120.96 1eef s ALA 32 Ca 0.18 1.15 -0.38 0.00 0.00 0.00 0.00 51.96 52.91 1eef s ALA 32 Cb 0.10 -3.44 -0.15 0.00 0.00 0.00 0.00 23.12 19.62 1eef s ALA 32 CO 0.11 -0.63 1.67 0.41 0.00 0.00 0.00 175.76 177.32 1eef n GLY 33 N 0.75 0.91 3.02 0.00 0.00 -1.26 -0.48 105.19 108.14 1eef n GLY 33 Ca 0.02 0.84 0.00 0.00 0.00 0.00 0.00 46.02 46.89 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 4.83 -0.04 -2.56 1.61 4.01 -1.26 -4.81 118.16 119.94 1eef n LYS 34 Ca 0.23 0.01 -0.09 0.00 -0.51 0.00 0.00 58.31 57.96 1eef n LYS 34 Cb 0.19 -2.88 0.04 0.00 -0.51 0.00 0.00 35.03 31.87 1eef n LYS 34 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1eef n ARG 35 N -2.05 2.34 -2.41 1.97 5.12 0.37 -4.98 116.66 117.02 1eef n ARG 35 Ca 0.00 -3.73 -0.38 0.00 -1.93 0.00 0.00 57.85 51.81 1eef n ARG 35 Cb 0.01 -1.82 -0.03 0.00 -1.16 0.00 0.00 32.46 29.45 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 -3.71 3.19 0.36 5.56 8.01 -1.15 -4.31 118.70 126.65 1eef s GLU 36 Ca 0.35 -0.56 -0.09 0.00 0.01 0.00 0.00 54.97 54.68 1eef s GLU 36 Cb 0.36 -4.90 0.03 0.00 -4.31 0.00 0.00 34.13 25.30 1eef s GLU 36 CO -0.01 -2.47 0.62 0.00 0.01 0.00 0.00 175.26 173.40 1eef s MET 37 N 5.77 2.05 0.01 1.61 0.23 -1.08 -4.11 119.30 123.78 1eef s MET 37 Ca 0.50 -1.60 0.03 0.00 -1.03 0.00 0.00 55.69 53.59 1eef s MET 37 Cb -0.05 0.53 -0.01 0.00 -1.53 0.00 0.00 34.83 33.77 1eef s MET 37 CO 0.01 -0.90 -0.10 0.08 -2.03 0.00 0.00 175.02 172.09 1eef s VAL 38 N -2.76 0.74 -0.03 5.16 1.01 -1.23 -1.40 120.40 121.89 1eef s VAL 38 Ca 0.24 -0.57 0.04 0.00 0.00 0.00 0.00 61.98 61.69 1eef s VAL 38 Cb -0.03 -0.66 -0.00 0.00 0.00 0.00 0.00 36.38 35.70 1eef s VAL 38 CO 0.16 0.09 -0.14 -0.63 0.00 0.00 0.00 175.10 174.58 1eef s ILE 39 N -0.46 1.15 0.14 2.22 1.01 0.45 -1.50 121.20 124.21 1eef s ILE 39 Ca 0.01 -0.57 0.08 0.00 0.00 0.00 0.00 60.65 60.17 1eef s ILE 39 Cb -0.05 -0.99 -0.04 0.00 0.01 0.00 0.00 42.46 41.39 1eef s ILE 39 CO 0.00 0.34 -0.19 0.27 0.00 0.00 0.00 174.94 175.36 1eef s ILE 40 N 0.02 1.72 0.06 2.92 -4.36 0.48 -0.38 121.20 121.66 1eef s ILE 40 Ca -0.02 -1.75 0.00 0.00 -0.26 0.00 0.00 60.65 58.63 1eef s ILE 40 Cb -0.09 -1.69 -0.04 0.00 1.25 0.00 0.00 42.46 41.89 1eef s ILE 40 CO 0.01 -0.23 -0.04 0.42 0.24 0.00 0.00 174.94 175.34 1eef s THR 41 N -1.71 0.37 0.30 8.37 -4.23 -0.95 -0.56 115.64 117.22 1eef s THR 41 Ca 0.11 -1.64 0.11 0.00 -1.18 0.00 0.00 61.69 59.10 1eef s THR 41 Cb -0.07 -1.28 -0.05 0.00 1.34 0.00 0.00 72.50 72.43 1eef s THR 41 CO 0.05 -0.83 -0.15 -0.36 -0.54 0.00 0.00 174.62 172.80 1eef s PHE 42 N -3.21 2.36 0.55 3.99 0.08 -0.46 -0.59 117.98 120.70 1eef s PHE 42 Ca 0.03 -0.37 0.28 0.00 0.12 0.00 0.00 56.93 56.99 1eef s PHE 42 Cb 0.03 -1.13 1.45 0.00 -0.57 0.00 0.00 43.02 42.79 1eef s PHE 42 CO -0.06 0.67 1.96 0.87 -0.10 0.00 0.00 175.22 178.55 1eef h LYS 43 N 2.15 0.00 0.00 0.44 6.56 -1.90 0.35 116.57 124.18 1eef h LYS 43 Ca -0.41 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.17 1eef h LYS 43 Cb 1.26 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.91 1eef h LYS 43 CO 0.63 0.00 -0.06 0.66 -2.06 0.00 0.00 179.45 178.62 1eef h SER 44 N 0.00 0.00 0.00 0.86 4.64 -1.97 -3.45 113.55 113.62 1eef h SER 44 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1eef h SER 44 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1eef h SER 44 CO -0.00 0.06 0.00 0.61 -0.87 0.00 0.00 176.83 176.62 1eef n GLY 45 N -0.82 1.92 3.77 -0.77 0.00 0.11 -5.06 105.19 104.34 1eef n GLY 45 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.72 4.20 -0.04 1.61 0.41 -1.26 -4.78 118.70 118.12 1eef s GLU 46 Ca 0.00 2.44 0.03 0.00 -0.41 0.00 0.00 54.97 57.03 1eef s GLU 46 Cb 0.00 -3.02 0.00 0.00 -1.78 0.00 0.00 34.13 29.33 1eef s GLU 46 CO 0.00 -0.43 -0.11 0.99 -0.49 0.00 0.00 175.26 175.22 1eef s THR 47 N -0.86 0.98 0.10 3.63 2.01 -1.26 -1.36 115.64 118.88 1eef s THR 47 Ca 0.54 -0.45 0.02 0.00 0.31 0.00 0.00 61.69 62.10 1eef s THR 47 Cb -0.44 -0.87 -0.04 0.00 0.01 0.00 0.00 72.50 71.16 1eef s THR 47 CO 0.56 0.30 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.36 1eef s PHE 48 N 0.26 0.90 0.16 4.92 0.08 0.27 -4.02 117.98 120.55 1eef s PHE 48 Ca -0.05 -0.88 0.06 0.00 0.12 0.00 0.00 56.93 56.17 1eef s PHE 48 Cb -0.11 -0.52 -0.04 0.00 -0.57 0.00 0.00 43.02 41.78 1eef s PHE 48 CO 0.01 -0.13 -0.13 1.14 -0.10 0.00 0.00 175.22 176.01 1eef s GLN 49 N -3.71 1.14 -0.29 0.44 -2.07 -0.35 -0.39 119.66 114.43 1eef s GLN 49 Ca 0.11 -1.41 -0.07 0.00 -1.82 0.00 0.00 55.36 52.17 1eef s GLN 49 Cb 0.04 -0.91 0.00 0.00 -1.09 0.00 0.00 33.01 31.06 1eef s GLN 49 CO -0.04 0.15 0.08 0.08 -1.32 0.00 0.00 175.29 174.24 1eef s VAL 50 N -2.73 4.04 0.74 3.63 1.01 -0.56 -0.83 120.40 125.69 1eef s VAL 50 Ca 0.15 -0.61 -0.15 0.00 0.00 0.00 0.00 61.98 61.38 1eef s VAL 50 Cb -0.02 -3.06 0.04 0.00 0.00 0.00 0.00 36.38 33.35 1eef s VAL 50 CO 0.04 0.11 1.20 -1.61 0.00 0.00 0.00 175.10 174.84 1eef s GLU 51 N 1.52 2.11 0.34 2.72 2.02 -1.26 -3.52 118.70 122.63 1eef s GLU 51 Ca 0.03 1.75 -0.29 0.00 0.02 0.00 0.00 54.97 56.48 1eef s GLU 51 Cb -0.17 -1.83 -0.10 0.00 0.10 0.00 0.00 34.13 32.13 1eef s GLU 51 CO 0.03 -1.86 1.31 0.08 0.02 0.00 0.00 175.26 174.84 1eef s VAL 52 N -2.01 2.71 0.29 2.63 1.01 -1.26 -4.90 120.40 118.86 1eef s VAL 52 Ca 0.74 0.71 -0.30 0.00 0.00 0.00 0.00 61.98 63.13 1eef s VAL 52 Cb -0.29 -3.45 -0.12 0.00 0.00 0.00 0.00 36.38 32.52 1eef s VAL 52 CO 0.46 0.17 1.47 -2.65 0.00 0.00 0.00 175.10 174.55 1eef n PRO 53 N 0.76 2.38 -3.59 2.72 -0.02 -1.26 -4.96 135.00 131.03 1eef n PRO 53 Ca 0.00 0.84 -0.13 0.00 -2.02 0.00 0.00 63.50 62.20 1eef n PRO 53 Cb 0.42 -2.55 -0.03 0.00 -0.02 0.00 0.00 33.50 31.32 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 1.76 2.49 0.34 -1.23 0.00 -1.26 -5.03 105.19 102.27 1eef n GLY 54 Ca 0.08 -1.64 0.21 0.00 0.00 0.00 0.00 46.02 44.68 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 1.62 0.00 1.57 1.61 4.64 -2.03 -1.31 113.55 119.64 1eef h SER 55 Ca -0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 1eef h SER 55 Cb 0.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1eef h SER 55 CO 0.29 0.00 0.00 0.06 -0.87 0.00 0.00 176.83 176.31 1eef h GLN 56 N 0.00 0.00 -6.09 4.77 -0.00 -1.97 -3.45 115.11 108.37 1eef h GLN 56 Ca 0.00 0.00 -0.60 0.00 -0.00 0.00 0.00 58.65 58.05 1eef h GLN 56 Cb 0.13 0.00 -0.05 0.00 -0.00 0.00 0.00 27.48 27.56 1eef h GLN 56 CO 0.00 0.00 -0.16 -1.01 -0.00 0.00 0.00 178.83 177.66 1eef s HIS 57 N -3.18 3.72 0.48 0.06 3.76 -0.50 -5.09 115.29 114.55 1eef s HIS 57 Ca 0.09 1.04 -0.02 0.00 -0.15 0.00 0.00 55.06 56.01 1eef s HIS 57 Cb 0.10 -2.32 -0.01 0.00 1.11 0.00 0.00 32.58 31.45 1eef s HIS 57 CO 0.60 0.61 0.74 0.96 -0.85 0.00 0.00 174.74 176.80 1eef s ILE 58 N -1.15 4.27 0.29 0.60 -4.36 -1.26 -4.90 121.20 114.69 1eef s ILE 58 Ca 0.27 -0.21 0.03 0.00 -0.26 0.00 0.00 60.65 60.48 1eef s ILE 58 Cb -0.17 -3.61 0.28 0.00 1.25 0.00 0.00 42.46 40.21 1eef s ILE 58 CO 0.15 -0.52 1.71 0.44 0.24 0.00 0.00 174.94 176.96 1eef h ASP 59 N 0.26 0.35 -0.00 4.36 3.32 -1.99 -0.62 116.42 122.11 1eef h ASP 59 Ca -0.47 0.14 -0.01 0.00 0.02 0.00 0.00 57.03 56.72 1eef h ASP 59 Cb 1.24 0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.90 1eef h ASP 59 CO 0.60 0.03 -0.01 0.77 -1.72 0.00 0.00 179.24 178.91 1eef h SER 60 N 0.43 0.04 1.73 6.45 4.64 -2.03 -1.37 113.55 123.43 1eef h SER 60 Ca 0.54 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.85 1eef h SER 60 Cb 0.99 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.07 1eef h SER 60 CO -0.50 0.06 -0.06 1.56 -0.87 0.00 0.00 176.83 177.01 1eef h GLN 61 N 0.04 0.00 0.02 4.77 4.20 -1.48 -3.29 115.11 119.37 1eef h GLN 61 Ca 0.01 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.74 1eef h GLN 61 Cb 0.05 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 1eef h GLN 61 CO 0.00 0.06 -0.11 0.87 -0.67 0.00 0.00 178.83 178.98 1eef h LYS 62 N 0.00 -0.20 -0.81 1.46 1.79 -1.18 0.35 116.57 117.99 1eef h LYS 62 Ca -0.00 0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.47 1eef h LYS 62 Cb 0.94 0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 31.60 1eef h LYS 62 CO 0.01 -0.13 0.45 -0.22 -1.08 0.00 0.00 179.45 178.47 1eef h LYS 63 N -0.20 1.12 -0.55 3.15 3.64 -1.69 -2.64 116.57 119.40 1eef h LYS 63 Ca 0.04 -0.13 -0.06 0.00 -1.27 0.00 0.00 60.65 59.23 1eef h LYS 63 Cb 0.25 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 1eef h LYS 63 CO -0.10 0.82 0.11 0.00 -2.27 0.00 0.00 179.45 178.01 1eef h ALA 64 N 1.24 1.17 -0.38 5.00 0.00 -1.47 -1.76 119.26 123.06 1eef h ALA 64 Ca 0.28 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1eef h ALA 64 Cb 0.03 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1eef h ALA 64 CO -0.05 0.56 0.25 0.82 0.00 0.00 0.00 179.25 180.83 1eef h ILE 65 N 0.82 1.10 -0.30 0.00 2.04 0.03 -0.04 117.51 121.16 1eef h ILE 65 Ca 0.18 -0.18 -0.05 0.00 1.00 0.00 0.00 64.86 65.81 1eef h ILE 65 Cb 0.33 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 1eef h ILE 65 CO 0.00 0.09 -0.04 -0.33 0.00 0.00 0.00 178.15 177.87 1eef h GLU 66 N 0.51 0.47 -0.31 2.37 4.39 -1.25 -2.51 114.58 118.25 1eef h GLU 66 Ca 0.14 -0.11 -0.10 0.00 0.34 0.00 0.00 59.36 59.63 1eef h GLU 66 Cb -0.06 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.52 1eef h GLU 66 CO -0.03 0.53 -0.19 -0.09 -1.16 0.00 0.00 179.01 178.07 1eef h ARG 67 N 0.44 0.67 -0.74 2.33 2.43 -0.93 -1.81 114.38 116.79 1eef h ARG 67 Ca 0.09 -0.31 0.04 0.00 -0.81 0.00 0.00 59.98 58.99 1eef h ARG 67 Cb 0.36 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.85 1eef h ARG 67 CO 0.02 0.91 0.46 1.98 -1.51 0.00 0.00 179.97 181.82 1eef h MET 68 N 0.43 0.86 -0.65 0.20 4.05 -0.80 0.10 114.93 119.13 1eef h MET 68 Ca 0.06 -0.05 -0.06 0.00 -0.28 0.00 0.00 59.70 59.38 1eef h MET 68 Cb 0.73 -0.19 -0.03 0.00 -0.80 0.00 0.00 31.60 31.31 1eef h MET 68 CO 0.05 0.57 0.18 0.87 0.23 0.00 0.00 176.91 178.81 1eef h LYS 69 N 0.89 1.02 -0.55 0.39 1.57 -1.33 0.15 116.57 118.71 1eef h LYS 69 Ca 0.30 -0.23 0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1eef h LYS 69 Cb 0.05 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 1eef h LYS 69 CO -0.13 0.91 0.36 -0.44 -0.57 0.00 0.00 179.45 179.58 1eef h ASP 70 N 0.95 0.62 -0.24 0.86 3.32 -0.38 -2.17 116.42 119.37 1eef h ASP 70 Ca 0.21 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.24 1eef h ASP 70 Cb 0.33 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1eef h ASP 70 CO -0.00 0.45 0.14 0.74 -1.72 0.00 0.00 179.24 178.85 1eef h THR 71 N 0.73 1.10 -0.93 0.35 2.02 -0.38 -2.33 112.91 113.48 1eef h THR 71 Ca 0.20 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 1eef h THR 71 Cb -0.08 0.82 -0.04 0.00 -1.74 0.00 0.00 68.15 67.11 1eef h THR 71 CO -0.05 0.09 0.55 -0.07 0.37 0.00 0.00 175.52 176.41 1eef h LEU 72 N 0.29 1.13 0.07 2.58 3.38 -0.70 -0.29 115.31 121.77 1eef h LEU 72 Ca 0.09 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1eef h LEU 72 Cb 0.03 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.49 1eef h LEU 72 CO -0.02 0.88 -0.03 -0.09 0.09 0.00 0.00 178.44 179.27 1eef h ARG 73 N 1.29 -0.09 -0.11 1.13 2.43 -1.26 -0.48 114.38 117.28 1eef h ARG 73 Ca 0.33 0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.40 1eef h ARG 73 Cb -0.03 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 1eef h ARG 73 CO -0.06 0.03 -0.42 0.97 -1.51 0.00 0.00 179.97 178.99 1eef h ILE 74 N -0.19 1.31 -0.64 1.20 6.09 -1.25 -0.77 117.51 123.26 1eef h ILE 74 Ca -0.01 -1.53 -0.07 0.00 -1.37 0.00 0.00 64.86 61.88 1eef h ILE 74 Cb 0.16 1.69 -0.03 0.00 0.47 0.00 0.00 36.82 39.11 1eef h ILE 74 CO 0.02 0.46 0.12 0.74 -3.07 0.00 0.00 178.15 176.42 1eef h THR 75 N 0.21 1.26 0.11 2.19 2.02 -0.89 -0.80 112.91 117.02 1eef h THR 75 Ca 0.02 -0.98 -0.01 0.00 0.77 0.00 0.00 66.41 66.21 1eef h THR 75 Cb 0.83 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 1eef h THR 75 CO 0.07 0.37 -0.05 0.22 0.37 0.00 0.00 175.52 176.49 1eef h TYR 76 N 0.95 -0.14 -0.40 3.16 3.20 -0.70 -1.40 116.97 121.64 1eef h TYR 76 Ca 0.20 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.07 1eef h TYR 76 Cb 0.40 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.70 1eef h TYR 76 CO 0.03 0.14 0.27 -0.07 -1.64 0.00 0.00 178.16 176.88 1eef h LEU 77 N -0.41 0.45 -1.31 2.82 3.38 -1.03 -1.86 115.31 117.34 1eef h LEU 77 Ca -0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1eef h LEU 77 Cb 0.34 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1eef h LEU 77 CO 0.03 0.32 0.00 0.35 0.09 0.00 0.00 178.44 179.23 1eef n THR 78 N -4.48 0.21 -3.89 0.22 -2.24 -0.32 -4.94 114.28 98.86 1eef n THR 78 Ca 0.03 -0.40 -0.29 0.00 -2.27 0.00 0.00 64.05 61.11 1eef n THR 78 Cb 0.07 0.54 0.03 0.00 -2.10 0.00 0.00 70.33 68.87 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 0.53 -5.71 -2.68 -0.78 1.02 -0.70 -4.94 120.64 107.38 1eef n GLU 79 Ca 0.17 0.62 -0.41 0.00 -0.02 0.00 0.00 57.16 57.52 1eef n GLU 79 Cb 0.39 -5.51 -0.05 0.00 -0.02 0.00 0.00 31.44 26.25 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 -3.32 4.23 0.07 2.62 2.01 -0.60 -4.83 115.64 115.82 1eef s THR 80 Ca 0.64 1.97 -0.31 0.00 0.31 0.00 0.00 61.69 64.30 1eef s THR 80 Cb -0.32 -4.25 -0.06 0.00 0.01 0.00 0.00 72.50 67.88 1eef s THR 80 CO 0.82 0.36 1.29 -0.54 -0.69 0.00 0.00 174.62 175.86 1eef s LYS 81 N -0.41 4.37 -0.02 4.92 1.02 -1.26 -4.35 119.74 124.01 1eef s LYS 81 Ca 0.46 1.89 -0.18 0.00 0.02 0.00 0.00 55.97 58.16 1eef s LYS 81 Cb -0.25 -3.34 -0.05 0.00 -0.52 0.00 0.00 37.83 33.66 1eef s LYS 81 CO 0.32 -0.36 0.51 0.42 -0.92 0.00 0.00 175.35 175.31 1eef s ILE 82 N 1.27 4.97 0.00 2.17 1.01 0.11 -3.65 121.20 127.08 1eef s ILE 82 Ca 0.61 1.06 0.00 0.00 0.00 0.00 0.00 60.65 62.32 1eef s ILE 82 Cb -0.32 -3.84 0.00 0.00 0.01 0.00 0.00 42.46 38.31 1eef s ILE 82 CO 0.29 0.47 0.00 -0.67 0.00 0.00 0.00 174.94 175.03 1eef n ASP 83 N 2.51 0.00 -4.30 3.58 -0.08 0.62 -0.66 116.55 118.22 1eef n ASP 83 Ca -0.10 0.16 -0.17 0.00 -1.51 0.00 0.00 54.79 53.17 1eef n ASP 83 Cb 0.51 -0.21 -0.10 0.00 2.34 0.00 0.00 41.12 43.67 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 -0.41 1.20 -0.06 -0.67 1.02 -1.18 -0.10 119.74 119.54 1eef s LYS 84 Ca 0.00 -1.48 0.02 0.00 0.02 0.00 0.00 55.97 54.53 1eef s LYS 84 Cb 0.00 -0.97 0.01 0.00 -0.52 0.00 0.00 37.83 36.35 1eef s LYS 84 CO 0.00 0.16 -0.11 -0.51 -0.92 0.00 0.00 175.35 173.97 1eef s LEU 85 N -3.07 1.62 -0.26 3.17 1.43 0.30 -1.23 118.68 120.63 1eef s LEU 85 Ca 0.18 -0.28 -0.10 0.00 -1.03 0.00 0.00 54.13 52.90 1eef s LEU 85 Cb -0.01 -0.78 -0.05 0.00 0.03 0.00 0.00 46.19 45.38 1eef s LEU 85 CO 0.04 0.03 0.16 0.00 0.23 0.00 0.00 176.35 176.82 1eef s VAL 87 N 1.51 0.92 -0.09 0.00 -7.23 -0.25 -0.22 120.40 115.04 1eef s VAL 87 Ca 0.07 -1.44 -0.26 0.00 -1.81 0.00 0.00 61.98 58.54 1eef s VAL 87 Cb -0.15 -1.14 -0.03 0.00 0.56 0.00 0.00 36.38 35.63 1eef s VAL 87 CO 0.08 -0.43 0.83 0.26 -0.31 0.00 0.00 175.10 175.53 1eef s TRP 88 N -1.90 3.54 -2.02 2.82 0.51 0.15 -1.56 118.94 120.48 1eef s TRP 88 Ca 0.00 1.37 0.21 0.00 -2.12 0.00 0.00 56.10 55.57 1eef s TRP 88 Cb -0.06 -2.97 0.58 0.00 -0.81 0.00 0.00 33.47 30.21 1eef s TRP 88 CO 0.01 -0.07 1.49 0.27 -0.51 0.00 0.00 176.95 178.14 1eef n ASN 89 N 4.40 3.55 -2.12 2.95 0.23 0.11 -1.64 115.26 122.73 1eef n ASN 89 Ca 0.03 -2.00 -0.14 0.00 -0.53 0.00 0.00 54.58 51.95 1eef n ASN 89 Cb 0.50 -0.44 0.26 0.00 -2.08 0.00 0.00 39.78 38.02 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 1.45 4.42 -3.89 0.53 6.94 -1.26 -4.90 115.26 118.55 1eef n ASN 90 Ca 0.22 -3.39 -0.11 0.00 -0.02 0.00 0.00 54.58 51.29 1eef n ASN 90 Cb 0.56 -0.79 -0.11 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 -3.13 0.31 -0.20 -3.83 -0.14 -1.26 -5.08 119.74 106.41 1eef s LYS 91 Ca 0.56 -0.29 0.01 0.00 -1.36 0.00 0.00 55.97 54.89 1eef s LYS 91 Cb 0.46 0.12 0.03 0.00 -1.68 0.00 0.00 37.83 36.77 1eef s LYS 91 CO 0.13 -0.06 -0.16 0.99 -0.76 0.00 0.00 175.35 175.48 1eef s THR 92 N -0.94 1.97 0.91 2.17 2.01 -1.26 -2.17 115.64 118.32 1eef s THR 92 Ca -0.10 -1.06 -0.12 0.00 0.31 0.00 0.00 61.69 60.72 1eef s THR 92 Cb -0.06 -1.88 0.13 0.00 0.01 0.00 0.00 72.50 70.70 1eef s THR 92 CO 0.00 0.36 1.11 -2.84 -0.69 0.00 0.00 174.62 172.57 1eef s PRO 93 N 1.29 1.18 0.46 4.92 0.02 -1.26 -5.06 135.00 136.55 1eef s PRO 93 Ca 0.01 0.48 -0.24 0.00 0.02 0.00 0.00 61.00 61.28 1eef s PRO 93 Cb -0.15 -1.83 -0.09 0.00 0.02 0.00 0.00 34.50 32.46 1eef s PRO 93 CO -0.10 -2.21 1.20 0.09 -0.33 0.00 0.00 177.00 175.64 1eef n ASN 94 N -3.81 2.10 -4.76 2.53 4.13 -0.92 -4.54 115.26 109.99 1eef n ASN 94 Ca 0.06 1.04 -0.36 0.00 1.68 0.00 0.00 54.58 57.00 1eef n ASN 94 Cb 0.58 -1.47 -0.07 0.00 -1.54 0.00 0.00 39.78 37.27 1eef n ASN 94 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1eef s SER 95 N -0.71 6.30 -0.14 6.41 0.15 -0.65 -1.22 113.70 123.85 1eef s SER 95 Ca 0.65 0.35 -0.29 0.00 0.70 0.00 0.00 55.95 57.35 1eef s SER 95 Cb -0.49 -2.11 -0.02 0.00 -1.71 0.00 0.00 66.02 61.69 1eef s SER 95 CO 0.55 0.22 1.34 -0.63 1.20 0.00 0.00 173.24 175.92 1eef s ILE 96 N 0.05 4.13 -0.21 6.45 1.01 -0.01 0.34 121.20 132.95 1eef s ILE 96 Ca 0.11 1.37 0.10 0.00 0.00 0.00 0.00 60.65 62.23 1eef s ILE 96 Cb -0.12 -3.88 -0.20 0.00 0.01 0.00 0.00 42.46 38.27 1eef s ILE 96 CO 0.01 -0.12 -0.06 0.00 0.00 0.00 0.00 174.94 174.77 1eef n ALA 97 N 6.67 1.51 -3.39 9.38 0.00 0.69 -4.88 120.51 130.49 1eef n ALA 97 Ca 0.15 -1.16 -0.11 0.00 0.00 0.00 0.00 53.44 52.32 1eef n ALA 97 Cb 0.44 -0.11 -0.03 0.00 0.00 0.00 0.00 19.45 19.76 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 -2.47 -1.35 -0.01 0.00 0.00 -0.92 -4.99 121.76 112.02 1eef s ALA 98 Ca -0.20 0.20 -0.07 0.00 0.00 0.00 0.00 51.96 51.89 1eef s ALA 98 Cb 0.07 0.85 0.00 0.00 0.00 0.00 0.00 23.12 24.04 1eef s ALA 98 CO 0.68 -0.79 0.14 -1.50 0.00 0.00 0.00 175.76 174.29 1eef s ILE 99 N -3.80 0.06 0.04 0.00 2.07 -1.26 -1.38 121.20 116.93 1eef s ILE 99 Ca 0.04 -0.51 0.04 0.00 -1.41 0.00 0.00 60.65 58.81 1eef s ILE 99 Cb -0.01 -0.38 -0.02 0.00 0.13 0.00 0.00 42.46 42.18 1eef s ILE 99 CO -0.09 -0.28 -0.13 -0.94 -1.91 0.00 0.00 174.94 171.59 1eef s SER 100 N -1.00 1.49 -0.04 4.50 1.04 -0.37 -4.99 113.70 114.33 1eef s SER 100 Ca -0.11 -0.45 0.03 0.00 0.48 0.00 0.00 55.95 55.90 1eef s SER 100 Cb -0.06 -0.08 0.01 0.00 0.10 0.00 0.00 66.02 65.98 1eef s SER 100 CO 0.01 0.00 -0.10 -0.04 0.98 0.00 0.00 173.24 174.09 1eef s MET 101 N -1.13 1.21 -0.18 4.02 -1.94 -1.26 -0.27 119.30 119.74 1eef s MET 101 Ca 0.00 -0.34 -0.15 0.00 -1.71 0.00 0.00 55.69 53.49 1eef s MET 101 Cb -0.08 -1.08 0.05 0.00 2.01 0.00 0.00 34.83 35.73 1eef s MET 101 CO 0.01 0.09 0.47 0.21 -0.01 0.00 0.00 175.02 175.79 1eef s LYS 102 N 0.36 0.52 0.00 2.03 2.20 -1.24 -4.83 119.74 118.78 1eef s LYS 102 Ca -0.07 0.72 0.00 0.00 -0.36 0.00 0.00 55.97 56.26 1eef s LYS 102 Cb -0.11 0.20 0.00 0.00 -1.51 0.00 0.00 37.83 36.41 1eef s LYS 102 CO 0.01 -0.09 0.00 0.09 -0.36 0.00 0.00 175.35 175.00