#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dir s SER 2 N 0.00 6.06 -0.28 1.61 0.15 -1.26 -5.10 113.70 114.89 2dir s SER 2 Ca 0.00 -0.04 -0.06 0.00 0.70 0.00 0.00 55.95 56.55 2dir s SER 2 Cb 0.00 -1.68 0.01 0.00 -1.71 0.00 0.00 66.02 62.64 2dir s SER 2 CO 0.00 -0.09 0.05 -0.94 1.20 0.00 0.00 173.24 173.46 2dir s SER 3 N -3.95 4.95 0.00 5.45 1.04 -1.26 -4.99 113.70 114.93 2dir s SER 3 Ca 0.34 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 56.07 2dir s SER 3 Cb -0.09 -1.84 0.00 0.00 0.10 0.00 0.00 66.02 64.20 2dir s SER 3 CO 0.28 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.94 2dir n GLY 4 N 4.83 2.72 3.15 7.32 0.00 -1.26 -5.18 105.19 116.77 2dir n GLY 4 Ca -0.15 0.07 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 2dir n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dir s SER 5 N 1.78 -0.05 0.48 1.61 0.15 -1.26 -5.01 113.70 111.40 2dir s SER 5 Ca 0.00 -0.11 0.22 0.00 0.70 0.00 0.00 55.95 56.75 2dir s SER 5 Cb 0.00 0.24 1.17 0.00 -1.71 0.00 0.00 66.02 65.72 2dir s SER 5 CO 0.00 -0.40 1.61 0.77 1.20 0.00 0.00 173.24 176.43 2dir h SER 6 N 4.13 0.00 -1.73 5.45 4.64 -2.00 -3.46 113.55 120.59 2dir h SER 6 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 2dir h SER 6 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2dir h SER 6 CO 0.40 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.97 2dir n GLY 7 N -1.25 3.32 0.14 -0.77 0.00 -1.26 -4.94 105.19 100.42 2dir n GLY 7 Ca -0.01 -1.61 -0.22 0.00 0.00 0.00 0.00 46.02 44.17 2dir n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dir h LYS 8 N 0.00 0.35 -0.84 1.61 1.79 -2.00 -3.36 116.57 114.11 2dir h LYS 8 Ca 0.00 -0.59 0.31 0.00 -2.18 0.00 0.00 60.65 58.19 2dir h LYS 8 Cb 0.00 0.22 -0.15 0.00 -1.58 0.00 0.00 32.23 30.72 2dir h LYS 8 CO 0.00 1.28 0.31 0.00 -1.08 0.00 0.00 179.45 179.96 2dir n ALA 9 N -2.92 0.72 -0.18 3.86 0.00 -1.26 0.24 120.51 120.97 2dir n ALA 9 Ca -0.27 0.87 -0.10 0.00 0.00 0.00 0.00 53.44 53.94 2dir n ALA 9 Cb 1.05 -0.79 0.01 0.00 0.00 0.00 0.00 19.45 19.72 2dir n ALA 9 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2dir h PHE 10 N 0.00 1.04 0.14 0.00 3.04 -1.93 -3.06 116.94 116.18 2dir h PHE 10 Ca 0.65 -0.19 -0.01 0.00 3.98 0.00 0.00 57.97 62.40 2dir h PHE 10 Cb 1.61 -0.27 0.00 0.00 2.56 0.00 0.00 35.95 39.86 2dir h PHE 10 CO -0.15 0.96 -0.07 -0.07 -2.02 0.00 0.00 178.31 176.97 2dir h LEU 11 N 0.81 -0.16 -1.47 0.59 3.38 0.28 -3.09 115.31 115.66 2dir h LEU 11 Ca 0.14 0.01 0.43 0.00 0.09 0.00 0.00 57.88 58.54 2dir h LEU 11 Cb 0.57 0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.30 2dir h LEU 11 CO 0.03 0.30 1.20 -1.84 0.09 0.00 0.00 178.44 178.22 2dir n GLU 12 N -4.83 0.00 -0.01 1.13 0.28 0.19 -0.03 120.64 117.38 2dir n GLU 12 Ca -0.02 0.94 -0.01 0.00 -0.16 0.00 0.00 57.16 57.90 2dir n GLU 12 Cb 0.07 -2.22 -0.01 0.00 1.43 0.00 0.00 31.44 30.72 2dir n GLU 12 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 177.13 177.19 2dir h ASP 13 N 0.00 -0.06 -0.61 -1.84 3.58 -1.59 -3.33 116.42 112.57 2dir h ASP 13 Ca 0.70 0.00 0.11 0.00 0.42 0.00 0.00 57.03 58.26 2dir h ASP 13 Cb 3.09 0.02 -0.12 0.00 1.72 0.00 0.00 39.33 44.04 2dir h ASP 13 CO -0.01 0.36 -0.29 -0.03 -2.88 0.00 0.00 179.24 176.39 2dir h MET 14 N -0.87 -0.12 -0.93 0.28 4.05 -0.36 -0.89 114.93 116.10 2dir h MET 14 Ca -0.01 0.01 0.14 0.00 -0.28 0.00 0.00 59.70 59.56 2dir h MET 14 Cb 0.05 0.03 -0.15 0.00 -0.80 0.00 0.00 31.60 30.74 2dir h MET 14 CO 0.01 -0.08 -0.38 1.63 0.23 0.00 0.00 176.91 178.32 2dir n LYS 15 N -5.44 -0.24 0.00 0.39 5.02 -0.57 0.85 118.16 118.17 2dir n LYS 15 Ca 0.05 1.43 0.00 0.00 -2.02 0.00 0.00 58.31 57.77 2dir n LYS 15 Cb 0.36 -2.11 0.00 0.00 -0.02 0.00 0.00 35.03 33.25 2dir n LYS 15 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2dir n LYS 16 N -5.34 0.00 -0.22 1.97 4.81 -0.39 -1.79 118.16 117.19 2dir n LYS 16 Ca 0.09 0.44 -0.08 0.00 -0.87 0.00 0.00 58.31 57.89 2dir n LYS 16 Cb 0.36 -1.36 -0.07 0.00 0.02 0.00 0.00 35.03 33.98 2dir n LYS 16 CO 0.00 0.00 0.00 -0.92 1.17 0.00 0.00 177.40 177.65 2dir h TYR 17 N 0.00 -1.22 -1.21 5.64 5.03 -0.93 0.73 116.97 125.02 2dir h TYR 17 Ca 0.00 0.08 0.35 0.00 2.58 0.00 0.00 58.73 61.74 2dir h TYR 17 Cb 0.00 0.60 -0.10 0.00 1.55 0.00 0.00 36.73 38.79 2dir h TYR 17 CO 0.17 -0.27 0.80 0.00 -1.32 0.00 0.00 178.16 177.54 2dir h ALA 18 N -0.14 2.64 0.28 1.82 0.00 0.34 0.93 119.26 125.13 2dir h ALA 18 Ca 0.09 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2dir h ALA 18 Cb 0.31 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2dir h ALA 18 CO -0.56 -1.11 -0.13 1.49 0.00 0.00 0.00 179.25 178.94 2dir h GLU 19 N 0.20 -0.36 0.00 0.00 4.81 0.11 0.15 114.58 119.50 2dir h GLU 19 Ca 0.68 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.94 2dir h GLU 19 Cb 2.11 0.08 0.00 0.00 0.63 0.00 0.00 28.75 31.57 2dir h GLU 19 CO -0.28 -0.24 0.00 0.00 -0.73 0.00 0.00 179.01 177.76 2dir h THR 20 N -0.81 0.00 0.02 0.32 1.03 0.06 0.57 112.91 114.11 2dir h THR 20 Ca -0.04 -0.06 -0.33 0.00 -0.01 0.00 0.00 66.41 65.97 2dir h THR 20 Cb 0.29 0.64 -0.05 0.00 -1.07 0.00 0.00 68.15 67.96 2dir h THR 20 CO 0.06 0.00 -1.99 0.33 -0.01 0.00 0.00 175.52 173.91 2dir n PHE 21 N -2.33 0.71 1.11 0.00 7.35 0.32 -4.16 117.46 120.47 2dir n PHE 21 Ca -0.01 0.23 0.12 0.00 -0.76 0.00 0.00 57.45 57.03 2dir n PHE 21 Cb 0.08 -1.12 0.16 0.00 0.35 0.00 0.00 39.48 38.95 2dir n PHE 21 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 2dir n LEU 22 N -3.07 1.88 -0.21 -2.13 4.77 0.53 -4.48 117.00 114.30 2dir n LEU 22 Ca -0.26 -0.65 -0.10 0.00 -0.03 0.00 0.00 56.01 54.97 2dir n LEU 22 Cb 1.07 -0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 42.08 2dir n LEU 22 CO 0.43 0.34 0.54 -0.33 -1.33 0.00 0.00 177.39 177.04 2dir h GLU 23 N 2.49 -0.24 0.00 3.23 5.08 -0.05 1.59 114.58 126.68 2dir h GLU 23 Ca 0.00 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2dir h GLU 23 Cb 0.71 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2dir h GLU 23 CO 0.00 -0.16 0.00 -0.35 -1.00 0.00 0.00 179.01 177.50 2dir n PRO 24 N -5.39 0.17 -0.01 2.33 -0.04 -1.26 0.34 135.00 131.14 2dir n PRO 24 Ca 0.01 0.17 0.08 0.00 -0.04 0.00 0.00 63.50 63.71 2dir n PRO 24 Cb 0.34 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.18 2dir n PRO 24 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 2dir n TRP 25 N -1.33 0.00 0.00 0.54 8.01 0.25 -4.63 117.44 120.28 2dir n TRP 25 Ca 0.06 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.25 2dir n TRP 25 Cb 0.13 -0.34 0.00 0.00 -2.01 0.00 0.00 31.31 29.09 2dir n TRP 25 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.69 177.87 2dir n PHE 26 N -2.02 0.00 -2.52 -5.99 3.72 0.48 -4.46 117.46 106.67 2dir n PHE 26 Ca -0.03 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.96 2dir n PHE 26 Cb 0.39 0.07 -0.04 0.00 -0.94 0.00 0.00 39.48 38.96 2dir n PHE 26 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 2dir s LYS 27 N -1.55 4.59 0.86 -1.08 2.20 1.04 -3.84 119.74 121.96 2dir s LYS 27 Ca 0.00 1.70 -0.17 0.00 -0.36 0.00 0.00 55.97 57.14 2dir s LYS 27 Cb 0.00 -3.29 -0.13 0.00 -1.51 0.00 0.00 37.83 32.90 2dir s LYS 27 CO 0.00 0.06 -0.46 0.00 -0.36 0.00 0.00 175.35 174.58 2dir n ALA 28 N 2.53 -4.44 0.90 3.13 0.00 -1.26 -2.15 120.51 119.22 2dir n ALA 28 Ca 0.03 -0.50 0.08 0.00 0.00 0.00 0.00 53.44 53.05 2dir n ALA 28 Cb 0.46 -1.30 0.44 0.00 0.00 0.00 0.00 19.45 19.05 2dir n ALA 28 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2dir n PRO 29 N 1.73 0.41 -2.90 0.00 -0.04 -1.26 -4.83 135.00 128.12 2dir n PRO 29 Ca 0.02 0.04 -0.33 0.00 -0.04 0.00 0.00 63.50 63.19 2dir n PRO 29 Cb 0.53 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.42 2dir n PRO 29 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2dir s ASN 30 N -2.15 6.93 -0.04 3.54 0.01 -0.91 -5.06 114.94 117.26 2dir s ASN 30 Ca 0.21 1.60 -0.31 0.00 -0.71 0.00 0.00 52.86 53.65 2dir s ASN 30 Cb 0.10 -2.50 0.12 0.00 0.41 0.00 0.00 41.25 39.38 2dir s ASN 30 CO 0.19 -0.30 1.23 -1.59 -1.51 0.00 0.00 177.10 175.13 2dir s LYS 31 N -3.03 0.45 0.00 -0.60 -2.85 -1.25 -3.74 119.74 108.72 2dir s LYS 31 Ca 0.59 -0.23 0.00 0.00 -1.00 0.00 0.00 55.97 55.33 2dir s LYS 31 Cb -0.10 0.16 0.00 0.00 -2.06 0.00 0.00 37.83 35.83 2dir s LYS 31 CO 0.15 -0.20 0.00 0.41 0.10 0.00 0.00 175.35 175.80 2dir n GLY 32 N -0.39 0.45 3.93 0.59 0.00 -1.26 -4.99 105.19 103.50 2dir n GLY 32 Ca -0.06 -1.49 -0.20 0.00 0.00 0.00 0.00 46.02 44.27 2dir n GLY 32 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dir s THR 33 N -3.53 2.66 0.15 2.61 -4.23 -1.26 -1.38 115.64 110.66 2dir s THR 33 Ca 0.00 -1.23 -0.25 0.00 -1.18 0.00 0.00 61.69 59.03 2dir s THR 33 Cb 0.00 -2.89 0.06 0.00 1.34 0.00 0.00 72.50 71.01 2dir s THR 33 CO 0.00 0.00 0.97 0.72 -0.54 0.00 0.00 174.62 175.77 2dir s PHE 34 N -2.47 -0.13 -0.14 3.99 -0.71 -1.24 -2.24 117.98 115.05 2dir s PHE 34 Ca 0.50 -0.18 -0.04 0.00 -1.04 0.00 0.00 56.93 56.18 2dir s PHE 34 Cb -0.05 0.64 0.05 0.00 -1.21 0.00 0.00 43.02 42.45 2dir s PHE 34 CO 0.30 -0.81 0.07 1.14 -1.34 0.00 0.00 175.22 174.57 2dir s GLN 35 N -3.26 0.20 0.21 1.99 -2.07 -0.42 0.10 119.66 116.41 2dir s GLN 35 Ca 0.12 -0.05 -0.23 0.00 -1.82 0.00 0.00 55.36 53.38 2dir s GLN 35 Cb -0.01 -1.58 -0.08 0.00 -1.09 0.00 0.00 33.01 30.24 2dir s GLN 35 CO 0.02 -0.57 0.78 0.42 -1.32 0.00 0.00 175.29 174.62 2dir s ILE 36 N 2.08 4.43 -0.07 3.63 1.01 -1.26 -2.00 121.20 129.02 2dir s ILE 36 Ca 0.02 1.55 -0.03 0.00 0.00 0.00 0.00 60.65 62.19 2dir s ILE 36 Cb -0.15 -4.00 0.04 0.00 0.01 0.00 0.00 42.46 38.35 2dir s ILE 36 CO -0.07 0.33 0.15 -0.69 0.00 0.00 0.00 174.94 174.66 2dir s VAL 37 N -1.38 -0.05 -0.40 2.92 1.01 -1.02 -4.98 120.40 116.51 2dir s VAL 37 Ca 0.41 0.17 -0.19 0.00 0.00 0.00 0.00 61.98 62.37 2dir s VAL 37 Cb -0.20 -0.25 0.01 0.00 0.00 0.00 0.00 36.38 35.95 2dir s VAL 37 CO 0.24 0.07 0.54 -0.47 0.00 0.00 0.00 175.10 175.47 2dir s TYR 38 N 1.10 3.13 -0.30 5.22 5.04 -1.26 -1.48 117.35 128.80 2dir s TYR 38 Ca -0.08 -0.08 -0.01 0.00 -2.44 0.00 0.00 57.07 54.45 2dir s TYR 38 Cb -0.11 -3.07 0.05 0.00 0.35 0.00 0.00 41.96 39.18 2dir s TYR 38 CO -0.06 -0.71 -0.01 0.15 -1.34 0.00 0.00 175.55 173.58 2dir s LYS 39 N 2.47 2.40 -0.00 4.97 1.02 -0.86 -4.99 119.74 124.76 2dir s LYS 39 Ca 0.18 -1.28 -0.02 0.00 0.02 0.00 0.00 55.97 54.87 2dir s LYS 39 Cb -0.15 -3.15 -0.00 0.00 -0.52 0.00 0.00 37.83 34.00 2dir s LYS 39 CO 0.15 -0.62 0.03 0.45 -0.92 0.00 0.00 175.35 174.45 2dir s SER 40 N 1.24 0.06 0.78 2.83 0.15 -1.26 -2.15 113.70 115.34 2dir s SER 40 Ca -0.06 -0.15 -0.13 0.00 0.70 0.00 0.00 55.95 56.31 2dir s SER 40 Cb -0.20 0.11 0.07 0.00 -1.71 0.00 0.00 66.02 64.29 2dir s SER 40 CO -0.02 -0.16 1.17 -0.60 1.20 0.00 0.00 173.24 174.84 2dir s ARG 41 N -0.67 1.91 1.04 5.44 3.52 -1.26 -4.94 118.95 123.99 2dir s ARG 41 Ca -0.07 1.62 -0.21 0.00 -0.13 0.00 0.00 55.73 56.94 2dir s ARG 41 Cb -0.05 -1.82 -0.04 0.00 -1.56 0.00 0.00 34.95 31.48 2dir s ARG 41 CO -0.00 -1.98 -0.58 -1.71 -0.81 0.00 0.00 175.30 170.23 2dir n ASN 42 N -3.16 -3.09 -3.83 -2.12 2.85 -1.26 -3.39 115.26 101.26 2dir n ASN 42 Ca 0.12 0.03 -0.25 0.00 -0.11 0.00 0.00 54.58 54.38 2dir n ASN 42 Cb 0.51 -0.81 0.00 0.00 1.24 0.00 0.00 39.78 40.72 2dir n ASN 42 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 2dir n ASN 43 N 0.85 -1.19 -4.82 1.20 5.15 -1.26 -4.94 115.26 110.26 2dir n ASN 43 Ca 0.00 -0.94 -0.33 0.00 -0.60 0.00 0.00 54.58 52.71 2dir n ASN 43 Cb 0.65 -3.44 -0.07 0.00 -0.53 0.00 0.00 39.78 36.39 2dir n ASN 43 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 2dir s SER 44 N -4.26 6.95 -0.09 1.20 1.04 -1.22 -5.02 113.70 112.30 2dir s SER 44 Ca 0.06 1.67 -0.09 0.00 0.48 0.00 0.00 55.95 58.07 2dir s SER 44 Cb -0.02 -2.53 -0.03 0.00 0.10 0.00 0.00 66.02 63.54 2dir s SER 44 CO 0.86 -0.33 -0.17 1.57 0.98 0.00 0.00 173.24 176.14 2dir n HIS 45 N -0.56 0.00 -1.80 5.02 -0.00 -1.26 -4.94 115.22 111.68 2dir n HIS 45 Ca 0.07 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.82 2dir n HIS 45 Cb 0.54 -0.25 -0.03 0.00 -0.12 0.00 0.00 29.99 30.13 2dir n HIS 45 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 2dir s VAL 46 N -1.96 2.88 1.05 3.57 0.11 -1.26 -4.87 120.40 119.92 2dir s VAL 46 Ca -0.14 0.24 -0.17 0.00 -2.93 0.00 0.00 61.98 58.98 2dir s VAL 46 Cb 0.02 -3.16 0.11 0.00 -1.53 0.00 0.00 36.38 31.83 2dir s VAL 46 CO 0.21 -0.01 0.03 -3.20 -3.33 0.00 0.00 175.10 168.81 2dir n ASN 47 N 6.15 -2.77 -0.05 3.54 5.15 -1.26 -5.00 115.26 121.02 2dir n ASN 47 Ca 0.17 -0.26 -0.11 0.00 -0.60 0.00 0.00 54.58 53.79 2dir n ASN 47 Cb 0.40 -0.81 -0.04 0.00 -0.53 0.00 0.00 39.78 38.80 2dir n ASN 47 CO 0.00 0.00 0.00 -2.11 1.40 0.00 0.00 177.26 176.55 2dir n ARG 48 N -1.51 0.21 -0.14 1.20 1.85 -1.26 -4.59 116.66 112.42 2dir n ARG 48 Ca 0.03 0.09 -0.09 0.00 -1.00 0.00 0.00 57.85 56.89 2dir n ARG 48 Cb 0.49 -0.85 -0.06 0.00 -1.05 0.00 0.00 32.46 30.99 2dir n ARG 48 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 2dir h GLU 49 N -0.35 -0.19 -0.97 2.89 5.08 -1.98 0.20 114.58 119.26 2dir h GLU 49 Ca -0.25 0.01 0.32 0.00 -1.00 0.00 0.00 59.36 58.44 2dir h GLU 49 Cb 1.21 0.04 -0.17 0.00 0.50 0.00 0.00 28.75 30.34 2dir h GLU 49 CO -0.15 -0.12 0.35 0.93 -1.00 0.00 0.00 179.01 179.01 2dir h GLU 50 N -0.19 0.11 0.49 2.33 4.39 -1.98 0.64 114.58 120.36 2dir h GLU 50 Ca 0.06 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.73 2dir h GLU 50 Cb 0.36 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 2dir h GLU 50 CO -0.44 0.08 -0.23 0.28 -1.16 0.00 0.00 179.01 177.53 2dir h VAL 51 N 0.12 0.00 0.44 3.13 2.07 -1.00 -1.96 116.25 119.05 2dir h VAL 51 Ca 0.69 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.93 2dir h VAL 51 Cb 1.61 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 2dir h VAL 51 CO -0.75 0.00 -0.48 0.40 0.02 0.00 0.00 177.57 176.76 2dir h ILE 52 N -0.92 0.00 -0.71 4.57 2.04 0.40 0.24 117.51 123.12 2dir h ILE 52 Ca -0.07 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.93 2dir h ILE 52 Cb 0.50 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.45 2dir h ILE 52 CO 0.11 0.00 -0.21 0.03 0.00 0.00 0.00 178.15 178.08 2dir h ARG 53 N -0.94 -0.03 0.62 2.37 2.47 0.09 -2.07 114.38 116.89 2dir h ARG 53 Ca -0.06 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.64 2dir h ARG 53 Cb 0.82 0.01 0.01 0.00 -1.65 0.00 0.00 29.97 29.15 2dir h ARG 53 CO -0.08 -0.02 -0.30 1.49 0.56 0.00 0.00 179.97 181.62 2dir h GLU 54 N -0.03 -0.80 -1.20 0.04 4.57 -1.02 -1.86 114.58 114.27 2dir h GLU 54 Ca 0.33 0.05 0.39 0.00 -1.18 0.00 0.00 59.36 58.95 2dir h GLU 54 Cb 0.54 0.18 -0.09 0.00 -0.16 0.00 0.00 28.75 29.22 2dir h GLU 54 CO -0.74 -0.54 0.81 1.28 -1.18 0.00 0.00 179.01 178.65 2dir n LEU 55 N -4.38 0.10 -0.05 1.64 4.77 0.80 0.17 117.00 120.05 2dir n LEU 55 Ca -0.10 0.94 -0.14 0.00 -0.03 0.00 0.00 56.01 56.68 2dir n LEU 55 Cb 0.33 -0.47 -0.13 0.00 -2.33 0.00 0.00 43.42 40.82 2dir n LEU 55 CO 0.25 -1.00 0.38 0.00 -1.33 0.00 0.00 177.39 175.68 2dir h ALA 56 N 1.05 -0.01 -0.37 -1.18 0.00 -1.09 -3.06 119.26 114.59 2dir h ALA 56 Ca 0.68 -0.50 0.11 0.00 0.00 0.00 0.00 54.91 55.20 2dir h ALA 56 Cb 2.39 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 20.18 2dir h ALA 56 CO -0.23 0.02 0.35 0.78 0.00 0.00 0.00 179.25 180.16 2dir h GLY 57 N -0.89 0.00 0.11 0.00 0.00 0.25 -2.38 103.07 100.17 2dir h GLY 57 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.31 2dir h GLY 57 CO 0.01 0.00 -0.02 -2.22 0.00 0.00 0.00 176.54 174.31 2dir h ILE 58 N 0.00 1.04 -0.85 2.60 2.04 -1.28 -3.33 117.51 117.73 2dir h ILE 58 Ca 0.18 -1.62 0.23 0.00 1.00 0.00 0.00 64.86 64.65 2dir h ILE 58 Cb 0.87 1.90 -0.16 0.00 -0.74 0.00 0.00 36.82 38.70 2dir h ILE 58 CO -0.00 0.33 0.01 0.52 0.00 0.00 0.00 178.15 179.01 2dir n VAL 59 N -4.75 -0.36 0.11 1.67 0.31 -0.90 0.49 118.33 114.90 2dir n VAL 59 Ca -0.07 1.87 -0.13 0.00 -0.01 0.00 0.00 64.34 66.00 2dir n VAL 59 Cb 0.28 -2.72 -0.06 0.00 -0.91 0.00 0.00 33.84 30.44 2dir n VAL 59 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2dir h THR 61 N -0.50 0.04 0.03 0.00 1.03 -0.07 -0.96 112.91 112.48 2dir h THR 61 Ca 0.03 0.00 -0.00 0.00 -0.01 0.00 0.00 66.41 66.43 2dir h THR 61 Cb 0.54 0.05 0.00 0.00 -1.07 0.00 0.00 68.15 67.66 2dir h THR 61 CO -0.18 0.00 -0.02 -0.07 -0.01 0.00 0.00 175.52 175.25 2dir h LEU 62 N 0.00 -0.04 -7.71 0.00 3.38 -1.10 -3.46 115.31 106.38 2dir h LEU 62 Ca 0.70 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 58.19 2dir h LEU 62 Cb 3.24 0.01 -0.36 0.00 0.09 0.00 0.00 40.66 43.64 2dir h LEU 62 CO -0.01 0.02 -0.79 0.21 0.09 0.00 0.00 178.44 177.96 2dir s ASN 63 N -3.08 1.73 0.51 -0.43 3.84 -0.36 -4.61 114.94 112.55 2dir s ASN 63 Ca -0.01 -0.22 0.19 0.00 0.21 0.00 0.00 52.86 53.04 2dir s ASN 63 Cb 0.00 -0.67 1.29 0.00 -0.55 0.00 0.00 41.25 41.32 2dir s ASN 63 CO 0.02 -0.10 2.07 -1.28 -2.79 0.00 0.00 177.10 175.02 2dir h SER 64 N 7.80 0.05 0.36 -4.21 0.87 -1.89 0.10 113.55 116.62 2dir h SER 64 Ca -0.29 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.26 2dir h SER 64 Cb 1.14 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 63.09 2dir h SER 64 CO 0.40 0.03 -0.05 -0.33 -0.53 0.00 0.00 176.83 176.35 2dir h GLU 65 N 0.05 0.00 -6.72 2.24 4.39 -1.95 -3.43 114.58 109.16 2dir h GLU 65 Ca 0.13 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.31 2dir h GLU 65 Cb 0.46 0.00 0.06 0.00 -0.10 0.00 0.00 28.75 29.17 2dir h GLU 65 CO -0.01 0.05 0.80 -0.80 -1.16 0.00 0.00 179.01 177.89 2dir s ASN 66 N -5.76 6.60 -0.25 1.42 0.01 0.35 -4.39 114.94 112.92 2dir s ASN 66 Ca -0.03 2.69 -0.02 0.00 -0.71 0.00 0.00 52.86 54.80 2dir s ASN 66 Cb 0.12 -2.62 0.13 0.00 0.41 0.00 0.00 41.25 39.29 2dir s ASN 66 CO 0.52 -0.76 0.33 -0.54 -1.51 0.00 0.00 177.10 175.14 2dir s LYS 67 N -0.05 0.32 0.07 -0.60 1.02 -0.48 -4.83 119.74 115.20 2dir s LYS 67 Ca 0.62 0.25 -0.30 0.00 0.02 0.00 0.00 55.97 56.56 2dir s LYS 67 Cb -0.43 -0.66 -0.09 0.00 -0.52 0.00 0.00 37.83 36.13 2dir s LYS 67 CO 0.41 -0.79 1.83 0.54 -0.92 0.00 0.00 175.35 176.42 2dir s VAL 68 N 2.46 2.88 0.06 3.17 0.11 -1.26 -3.58 120.40 124.23 2dir s VAL 68 Ca 0.10 0.18 0.06 0.00 -2.93 0.00 0.00 61.98 59.39 2dir s VAL 68 Cb -0.15 -3.11 -0.03 0.00 -1.53 0.00 0.00 36.38 31.56 2dir s VAL 68 CO -0.21 -0.01 -0.16 -0.62 -3.33 0.00 0.00 175.10 170.78 2dir s ASP 69 N 3.29 1.87 0.00 3.54 2.15 0.28 -4.81 116.67 123.00 2dir s ASP 69 Ca 0.81 -0.55 0.13 0.00 0.43 0.00 0.00 52.55 53.37 2dir s ASP 69 Cb -0.43 -0.10 0.21 0.00 -0.30 0.00 0.00 42.92 42.30 2dir s ASP 69 CO 0.37 0.01 1.08 0.18 -0.17 0.00 0.00 175.17 176.64 2dir n LEU 70 N 1.57 2.51 -0.05 -1.34 4.77 -1.26 -3.69 117.00 119.51 2dir n LEU 70 Ca -0.19 -1.43 -0.11 0.00 -0.03 0.00 0.00 56.01 54.25 2dir n LEU 70 Cb 0.54 -0.12 -0.04 0.00 -2.33 0.00 0.00 43.42 41.48 2dir n LEU 70 CO 0.22 0.55 -0.71 0.41 -1.33 0.00 0.00 177.39 176.53 2dir n THR 71 N 0.71 1.14 -2.62 -5.08 -1.04 -1.26 -4.80 114.28 101.32 2dir n THR 71 Ca 0.10 0.02 -0.27 0.00 -2.04 0.00 0.00 64.05 61.86 2dir n THR 71 Cb 0.38 -1.88 -0.01 0.00 -1.82 0.00 0.00 70.33 67.00 2dir n THR 71 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2dir n ASN 72 N -3.89 4.63 -4.71 8.00 4.13 -1.26 -5.07 115.26 117.09 2dir n ASN 72 Ca -0.19 -3.71 -0.42 0.00 1.68 0.00 0.00 54.58 51.94 2dir n ASN 72 Cb 0.50 -0.49 -0.03 0.00 -1.54 0.00 0.00 39.78 38.22 2dir n ASN 72 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2dir s PRO 73 N -3.52 4.33 0.05 3.52 0.04 -1.26 -4.81 135.00 133.36 2dir s PRO 73 Ca 0.48 2.04 0.16 0.00 0.04 0.00 0.00 61.00 63.72 2dir s PRO 73 Cb 0.36 -3.27 -0.14 0.00 0.04 0.00 0.00 34.50 31.49 2dir s PRO 73 CO -0.17 -0.42 0.82 1.04 0.04 0.00 0.00 177.00 178.30 2dir n GLN 74 N 3.99 0.62 -3.78 4.56 1.13 -1.11 -4.72 117.38 118.07 2dir n GLN 74 Ca 0.11 0.24 -0.21 0.00 -1.94 0.00 0.00 57.00 55.19 2dir n GLN 74 Cb 0.43 -1.81 -0.17 0.00 0.11 0.00 0.00 30.24 28.79 2dir n GLN 74 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 2dir s TYR 75 N -2.89 0.47 -0.46 1.08 2.02 -0.95 -3.25 117.35 113.36 2dir s TYR 75 Ca -0.03 -0.04 -0.18 0.00 -0.37 0.00 0.00 57.07 56.46 2dir s TYR 75 Cb 0.09 -0.67 0.04 0.00 -0.40 0.00 0.00 41.96 41.02 2dir s TYR 75 CO 0.81 -0.26 0.51 0.99 -1.57 0.00 0.00 175.55 176.03 2dir s THR 76 N 1.88 5.01 -0.55 -0.71 2.01 -0.46 -1.30 115.64 121.52 2dir s THR 76 Ca 0.03 -0.49 -0.17 0.00 0.31 0.00 0.00 61.69 61.37 2dir s THR 76 Cb -0.12 -4.16 0.12 0.00 0.01 0.00 0.00 72.50 68.34 2dir s THR 76 CO -0.04 -0.60 0.55 0.68 -0.69 0.00 0.00 174.62 174.52 2dir s VAL 77 N 2.28 5.10 -0.08 3.82 -7.23 -0.85 -2.21 120.40 121.23 2dir s VAL 77 Ca 0.13 -1.31 -0.04 0.00 -1.81 0.00 0.00 61.98 58.94 2dir s VAL 77 Cb -0.19 -4.37 -0.04 0.00 0.56 0.00 0.00 36.38 32.34 2dir s VAL 77 CO 0.12 -0.92 0.11 0.68 -0.31 0.00 0.00 175.10 174.78 2dir s VAL 78 N 1.93 5.18 -0.38 1.32 -7.23 -0.86 -2.42 120.40 117.94 2dir s VAL 78 Ca 0.06 -0.02 -0.02 0.00 -1.81 0.00 0.00 61.98 60.19 2dir s VAL 78 Cb -0.28 -3.29 0.10 0.00 0.56 0.00 0.00 36.38 33.47 2dir s VAL 78 CO 0.04 0.53 0.15 0.68 -0.31 0.00 0.00 175.10 176.19 2dir s VAL 79 N -1.08 3.11 0.14 1.32 -7.23 -0.55 -1.34 120.40 114.78 2dir s VAL 79 Ca 0.18 -1.96 -0.13 0.00 -1.81 0.00 0.00 61.98 58.25 2dir s VAL 79 Cb -0.12 -3.09 -0.07 0.00 0.56 0.00 0.00 36.38 33.66 2dir s VAL 79 CO 0.08 -0.57 0.52 -0.70 -0.31 0.00 0.00 175.10 174.11 2dir s GLU 80 N 1.13 3.92 -0.33 4.82 2.12 0.51 -2.03 118.70 128.83 2dir s GLU 80 Ca 0.06 0.41 -0.03 0.00 0.36 0.00 0.00 54.97 55.77 2dir s GLU 80 Cb -0.22 -2.91 0.06 0.00 0.26 0.00 0.00 34.13 31.33 2dir s GLU 80 CO -0.04 0.48 0.07 0.42 -0.54 0.00 0.00 175.26 175.64 2dir s ILE 81 N -1.49 3.19 -0.24 -3.70 -1.09 -0.91 -1.12 121.20 115.83 2dir s ILE 81 Ca 0.38 -1.51 0.02 0.00 -2.23 0.00 0.00 60.65 57.30 2dir s ILE 81 Cb -0.14 -2.92 0.06 0.00 -1.58 0.00 0.00 42.46 37.87 2dir s ILE 81 CO 0.19 -0.27 -0.07 -0.63 -1.23 0.00 0.00 174.94 172.93 2dir s ILE 82 N 1.25 1.77 -1.44 2.92 1.01 -1.21 -4.51 121.20 120.99 2dir s ILE 82 Ca -0.01 -1.37 -0.00 0.00 0.00 0.00 0.00 60.65 59.26 2dir s ILE 82 Cb -0.20 -1.97 0.00 0.00 0.01 0.00 0.00 42.46 40.29 2dir s ILE 82 CO -0.01 -0.07 0.05 0.29 0.00 0.00 0.00 174.94 175.20 2dir n LYS 83 N 4.58 -1.63 -2.71 2.79 4.76 -1.26 -2.57 118.16 122.13 2dir n LYS 83 Ca -0.13 0.82 -0.07 0.00 -2.87 0.00 0.00 58.31 56.06 2dir n LYS 83 Cb 0.43 -5.27 0.03 0.00 -1.84 0.00 0.00 35.03 28.38 2dir n LYS 83 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2dir n ALA 84 N -1.97 -0.48 -2.53 7.82 0.00 -1.26 -5.06 120.51 117.03 2dir n ALA 84 Ca -0.19 0.08 -0.20 0.00 0.00 0.00 0.00 53.44 53.12 2dir n ALA 84 Cb 0.65 -1.74 -0.12 0.00 0.00 0.00 0.00 19.45 18.25 2dir n ALA 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2dir s VAL 85 N -3.10 1.50 -0.54 0.00 0.11 -1.06 -5.11 120.40 112.19 2dir s VAL 85 Ca 0.12 -1.66 -0.19 0.00 -2.93 0.00 0.00 61.98 57.31 2dir s VAL 85 Cb -0.05 -1.54 0.07 0.00 -1.53 0.00 0.00 36.38 33.33 2dir s VAL 85 CO 0.23 -0.28 0.68 0.00 -3.33 0.00 0.00 175.10 172.39 2dir s LEU 88 N 1.29 4.06 -0.17 0.00 1.02 -1.26 -0.37 118.68 123.25 2dir s LEU 88 Ca 0.06 0.44 0.00 0.00 0.02 0.00 0.00 54.13 54.65 2dir s LEU 88 Cb -0.26 -2.60 0.01 0.00 0.02 0.00 0.00 46.19 43.36 2dir s LEU 88 CO -0.01 -0.27 -0.16 -0.55 0.02 0.00 0.00 176.35 175.38 2dir s SER 89 N 1.58 3.48 -0.21 2.29 0.15 -0.45 -4.97 113.70 115.57 2dir s SER 89 Ca 0.19 -0.55 -0.08 0.00 0.70 0.00 0.00 55.95 56.22 2dir s SER 89 Cb -0.16 -1.54 -0.04 0.00 -1.71 0.00 0.00 66.02 62.57 2dir s SER 89 CO 0.09 0.03 0.09 -0.69 1.20 0.00 0.00 173.24 173.97 2dir s VAL 90 N 1.11 4.83 -0.13 4.45 1.01 -1.26 -2.03 120.40 128.38 2dir s VAL 90 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 61.98 61.98 2dir s VAL 90 Cb -0.14 -3.21 0.02 0.00 0.00 0.00 0.00 36.38 33.05 2dir s VAL 90 CO -0.06 0.41 -0.13 -0.69 0.00 0.00 0.00 175.10 174.63 2dir s VAL 91 N 0.76 1.46 -0.48 2.92 1.01 -0.94 -4.95 120.40 120.18 2dir s VAL 91 Ca 0.04 -0.58 -0.20 0.00 0.00 0.00 0.00 61.98 61.24 2dir s VAL 91 Cb -0.13 -1.37 0.04 0.00 0.00 0.00 0.00 36.38 34.92 2dir s VAL 91 CO 0.02 0.44 0.65 -0.75 0.00 0.00 0.00 175.10 175.46 2dir s LYS 92 N 1.36 3.19 -0.02 2.72 2.20 -1.26 -1.36 119.74 126.57 2dir s LYS 92 Ca 0.01 -0.64 0.06 0.00 -0.36 0.00 0.00 55.97 55.05 2dir s LYS 92 Cb -0.13 -4.03 -0.02 0.00 -1.51 0.00 0.00 37.83 32.14 2dir s LYS 92 CO -0.07 -1.15 -0.21 0.45 -0.36 0.00 0.00 175.35 174.01 2dir s SER 93 N 2.40 2.50 0.00 1.43 0.15 -1.20 -4.99 113.70 113.99 2dir s SER 93 Ca 0.19 -0.39 0.00 0.00 0.70 0.00 0.00 55.95 56.45 2dir s SER 93 Cb -0.17 -0.33 0.00 0.00 -1.71 0.00 0.00 66.02 63.81 2dir s SER 93 CO 0.15 0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.45 2dir n GLY 94 N 2.62 1.07 3.57 9.45 0.00 -1.26 -4.55 105.19 116.09 2dir n GLY 94 Ca -0.16 -0.60 -0.27 0.00 0.00 0.00 0.00 46.02 44.99 2dir n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dir s PRO 95 N -0.08 2.53 -0.29 1.61 0.04 -1.26 -4.82 135.00 132.72 2dir s PRO 95 Ca 0.00 -0.62 -0.18 0.00 0.04 0.00 0.00 61.00 60.24 2dir s PRO 95 Cb 0.00 -5.13 0.17 0.00 0.04 0.00 0.00 34.50 29.58 2dir s PRO 95 CO 0.00 -3.61 1.12 0.45 0.04 0.00 0.00 177.00 175.00 2dir s SER 96 N 7.46 -0.32 0.09 6.66 0.15 -1.26 -5.09 113.70 121.39 2dir s SER 96 Ca 0.69 0.53 0.00 0.00 0.70 0.00 0.00 55.95 57.88 2dir s SER 96 Cb -0.04 0.98 0.00 0.00 -1.71 0.00 0.00 66.02 65.24 2dir s SER 96 CO 0.04 -0.09 0.00 -0.24 1.20 0.00 0.00 173.24 174.16 2dir n SER 97 N 3.06 0.78 0.00 5.45 2.88 -1.26 -5.18 113.62 119.35 2dir n SER 97 Ca -0.16 0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 2dir n SER 97 Cb 0.57 -0.21 0.00 0.00 -0.75 0.00 0.00 64.21 63.82 2dir n SER 97 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42