#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5p n SER 2 N 0.00 -2.67 -4.82 1.61 7.64 -1.26 -4.99 113.62 109.13 1x5p n SER 2 Ca 0.00 -0.15 -0.24 0.00 1.01 0.00 0.00 58.87 59.48 1x5p n SER 2 Cb 0.00 -0.76 -0.05 0.00 -1.01 0.00 0.00 64.21 62.39 1x5p n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x5p s SER 3 N -1.60 5.60 -0.02 6.43 0.15 -1.26 -5.07 113.70 117.92 1x5p s SER 3 Ca 0.43 -0.15 -0.11 0.00 0.70 0.00 0.00 55.95 56.81 1x5p s SER 3 Cb -0.04 -1.47 -0.06 0.00 -1.71 0.00 0.00 66.02 62.74 1x5p s SER 3 CO 0.55 0.02 0.57 1.23 1.20 0.00 0.00 173.24 176.81 1x5p h GLY 4 N 1.98 -0.42 0.00 9.45 0.00 -1.94 -3.42 103.07 108.73 1x5p h GLY 4 Ca -0.48 0.15 -0.24 0.00 0.00 0.00 0.00 47.33 46.76 1x5p h GLY 4 CO 0.62 -0.15 -1.42 -1.26 0.00 0.00 0.00 176.54 174.34 1x5p n SER 5 N -4.25 1.88 -4.59 0.19 2.88 -1.26 -4.57 113.62 103.90 1x5p n SER 5 Ca -0.05 0.43 -0.35 0.00 -1.33 0.00 0.00 58.87 57.58 1x5p n SER 5 Cb 0.16 -0.91 0.10 0.00 -0.75 0.00 0.00 64.21 62.81 1x5p n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x5p n SER 6 N -4.42 0.09 0.00 -3.46 2.88 -1.26 -4.27 113.62 103.17 1x5p n SER 6 Ca -0.32 0.58 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 1x5p n SER 6 Cb 0.66 -1.39 0.00 0.00 -0.75 0.00 0.00 64.21 62.73 1x5p n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5p n GLY 7 N 1.03 1.79 3.07 0.46 0.00 -1.26 -4.44 105.19 105.84 1x5p n GLY 7 Ca 0.12 -0.06 -0.18 0.00 0.00 0.00 0.00 46.02 45.90 1x5p n GLY 7 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1x5p s GLU 8 N 0.00 0.77 0.61 1.61 -1.05 -1.26 -5.15 118.70 114.24 1x5p s GLU 8 Ca 0.00 -0.52 -0.14 0.00 -0.15 0.00 0.00 54.97 54.17 1x5p s GLU 8 Cb 0.00 -0.73 -0.03 0.00 -0.44 0.00 0.00 34.13 32.93 1x5p s GLU 8 CO 0.00 0.19 1.04 1.03 0.95 0.00 0.00 175.26 178.47 1x5p s ARG 9 N -0.68 3.34 -0.72 -4.83 0.52 -1.26 -4.80 118.95 110.51 1x5p s ARG 9 Ca 0.01 1.03 -0.05 0.00 -0.52 0.00 0.00 55.73 56.20 1x5p s ARG 9 Cb -0.06 -2.04 0.19 0.00 0.52 0.00 0.00 34.95 33.56 1x5p s ARG 9 CO 0.00 -0.78 0.58 1.03 0.02 0.00 0.00 175.30 176.15 1x5p s ARG 10 N -4.49 2.93 0.07 3.54 1.81 -1.26 -5.05 118.95 116.50 1x5p s ARG 10 Ca 0.60 -2.65 0.06 0.00 -1.72 0.00 0.00 55.73 52.02 1x5p s ARG 10 Cb -0.14 -3.93 -0.03 0.00 -0.45 0.00 0.00 34.95 30.40 1x5p s ARG 10 CO 0.43 -1.21 -0.16 0.00 -0.68 0.00 0.00 175.30 173.68 1x5p s ALA 11 N -0.25 1.36 1.08 2.13 0.00 -1.26 -5.16 121.76 119.66 1x5p s ALA 11 Ca 0.19 -1.03 -0.07 0.00 0.00 0.00 0.00 51.96 51.05 1x5p s ALA 11 Cb -0.16 -0.16 0.10 0.00 0.00 0.00 0.00 23.12 22.90 1x5p s ALA 11 CO -0.06 0.24 0.35 -0.35 0.00 0.00 0.00 175.76 175.94 1x5p n PRO 12 N 1.38 -1.70 -4.38 0.00 -0.04 -1.26 -4.15 135.00 124.84 1x5p n PRO 12 Ca -0.20 -0.57 -0.36 0.00 -0.04 0.00 0.00 63.50 62.33 1x5p n PRO 12 Cb 0.54 -0.53 -0.08 0.00 -0.04 0.00 0.00 33.50 33.39 1x5p n PRO 12 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1x5p n ARG 13 N -2.59 -1.26 -0.10 0.54 1.85 -1.26 -4.81 116.66 109.03 1x5p n ARG 13 Ca 0.05 0.17 -0.20 0.00 -1.00 0.00 0.00 57.85 56.86 1x5p n ARG 13 Cb 0.19 -4.30 -0.08 0.00 -1.05 0.00 0.00 32.46 27.22 1x5p n ARG 13 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 1x5p n LYS 14 N -4.33 0.44 -1.55 2.89 4.81 -1.26 -4.86 118.16 114.29 1x5p n LYS 14 Ca -0.09 0.18 -0.15 0.00 -0.87 0.00 0.00 58.31 57.38 1x5p n LYS 14 Cb 0.57 -1.25 -0.08 0.00 0.02 0.00 0.00 35.03 34.29 1x5p n LYS 14 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1x5p n GLY 15 N 1.87 -0.17 0.26 3.14 0.00 -1.26 -4.58 105.19 104.44 1x5p n GLY 15 Ca -0.39 0.30 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 1x5p n GLY 15 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1x5p n ASN 16 N 17.53 2.15 -4.84 1.61 6.94 -1.26 -4.33 115.26 133.06 1x5p n ASN 16 Ca 0.49 0.03 -0.33 0.00 -0.02 0.00 0.00 54.58 54.75 1x5p n ASN 16 Cb 0.41 -0.31 -0.06 0.00 -2.36 0.00 0.00 39.78 37.45 1x5p n ASN 16 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1x5p s THR 17 N -2.28 4.59 -0.05 5.53 2.01 -1.26 -1.68 115.64 122.49 1x5p s THR 17 Ca -0.20 1.12 0.01 0.00 0.31 0.00 0.00 61.69 62.93 1x5p s THR 17 Cb 0.06 -3.64 0.02 0.00 0.01 0.00 0.00 72.50 68.95 1x5p s THR 17 CO 0.30 -0.17 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.24 1x5p s LEU 18 N -2.91 1.37 -0.45 4.42 1.43 0.14 -3.97 118.68 118.70 1x5p s LEU 18 Ca 0.55 -0.18 -0.27 0.00 -1.03 0.00 0.00 54.13 53.20 1x5p s LEU 18 Cb -0.11 -0.56 0.03 0.00 0.03 0.00 0.00 46.19 45.58 1x5p s LEU 18 CO 0.17 -0.04 1.03 -0.47 0.23 0.00 0.00 176.35 177.26 1x5p s TYR 19 N 0.94 2.90 0.02 0.29 6.14 0.85 -1.60 117.35 126.88 1x5p s TYR 19 Ca -0.11 0.60 0.00 0.00 0.64 0.00 0.00 57.07 58.20 1x5p s TYR 19 Cb -0.15 -4.14 -0.04 0.00 0.42 0.00 0.00 41.96 38.06 1x5p s TYR 19 CO 0.00 -1.14 0.11 0.08 0.64 0.00 0.00 175.55 175.24 1x5p s VAL 20 N 4.04 4.86 -0.00 3.14 1.01 0.25 -0.37 120.40 133.32 1x5p s VAL 20 Ca 0.42 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.96 1x5p s VAL 20 Cb -0.09 -3.27 -0.00 0.00 0.00 0.00 0.00 36.38 33.02 1x5p s VAL 20 CO 0.28 0.27 -0.03 -0.47 0.00 0.00 0.00 175.10 175.15 1x5p s TYR 21 N -1.29 0.29 0.38 5.22 5.04 0.13 0.04 117.35 127.16 1x5p s TYR 21 Ca 0.26 -0.05 -0.14 0.00 -2.44 0.00 0.00 57.07 54.70 1x5p s TYR 21 Cb -0.12 -0.19 0.05 0.00 0.35 0.00 0.00 41.96 42.04 1x5p s TYR 21 CO 0.18 -0.01 0.75 0.20 -1.34 0.00 0.00 175.55 175.33 1x5p s GLY 22 N -0.03 0.49 0.08 8.97 0.00 -0.59 -0.74 107.32 115.50 1x5p s GLY 22 Ca 0.01 -0.83 -0.01 0.00 0.00 0.00 0.00 44.72 43.89 1x5p s GLY 22 CO -0.00 -0.39 -0.01 1.18 0.00 0.00 0.00 173.10 173.88 1x5p n GLU 23 N -0.53 0.02 -2.23 2.90 4.71 -1.26 -4.51 120.64 119.73 1x5p n GLU 23 Ca -0.07 0.01 -0.34 0.00 -0.01 0.00 0.00 57.16 56.75 1x5p n GLU 23 Cb 0.60 -0.48 0.02 0.00 -1.01 0.00 0.00 31.44 30.57 1x5p n GLU 23 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 1x5p n ASP 24 N -3.42 6.12 -4.38 1.62 2.03 -1.26 -5.00 116.55 112.26 1x5p n ASP 24 Ca -0.01 -3.77 -0.28 0.00 0.52 0.00 0.00 54.79 51.25 1x5p n ASP 24 Cb 0.02 -0.77 -0.13 0.00 -0.72 0.00 0.00 41.12 39.52 1x5p n ASP 24 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1x5p s MET 25 N -3.82 1.37 0.24 -0.67 0.23 -1.26 -4.92 119.30 110.46 1x5p s MET 25 Ca 0.50 -1.33 0.11 0.00 -1.03 0.00 0.00 55.69 53.93 1x5p s MET 25 Cb 0.41 -1.82 -0.05 0.00 -1.53 0.00 0.00 34.83 31.85 1x5p s MET 25 CO -0.30 0.43 -0.19 0.95 -2.03 0.00 0.00 175.02 173.88 1x5p s THR 26 N -1.12 2.21 0.10 3.16 -4.23 -1.26 -5.05 115.64 109.45 1x5p s THR 26 Ca 0.13 -2.25 -0.28 0.00 -1.18 0.00 0.00 61.69 58.11 1x5p s THR 26 Cb -0.10 -2.16 -0.10 0.00 1.34 0.00 0.00 72.50 71.48 1x5p s THR 26 CO 0.06 -0.39 1.46 -0.65 -0.54 0.00 0.00 174.62 174.56 1x5p h PRO 27 N 2.60 -0.44 -1.23 3.99 0.11 -1.99 -0.28 132.00 134.77 1x5p h PRO 27 Ca -0.41 0.03 0.38 0.00 0.11 0.00 0.00 66.00 66.11 1x5p h PRO 27 Cb 1.24 0.10 -0.11 0.00 0.11 0.00 0.00 31.00 32.33 1x5p h PRO 27 CO 0.57 -0.29 0.79 1.15 -0.21 0.00 0.00 178.00 180.02 1x5p h THR 28 N -0.45 0.26 0.24 -1.15 2.02 -2.00 0.17 112.91 112.01 1x5p h THR 28 Ca 0.03 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 1x5p h THR 28 Cb 0.55 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.03 1x5p h THR 28 CO -0.40 0.03 -0.12 0.25 0.37 0.00 0.00 175.52 175.66 1x5p h LEU 29 N 0.18 -0.28 -1.84 2.58 6.46 -1.48 -2.90 115.31 118.04 1x5p h LEU 29 Ca 0.74 -0.16 0.10 0.00 -0.12 0.00 0.00 57.88 58.43 1x5p h LEU 29 Cb 2.22 0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 42.19 1x5p h LEU 29 CO -0.36 0.02 0.32 -0.07 -0.62 0.00 0.00 178.44 177.72 1x5p h LEU 30 N -0.59 0.16 -0.96 2.25 3.38 -0.18 -0.75 115.31 118.64 1x5p h LEU 30 Ca -0.03 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.97 1x5p h LEU 30 Cb 0.43 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.09 1x5p h LEU 30 CO 0.06 0.10 0.62 0.03 0.09 0.00 0.00 178.44 179.34 1x5p h ARG 31 N 0.18 1.17 -0.01 1.13 3.08 -1.06 0.22 114.38 119.09 1x5p h ARG 31 Ca 0.22 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1x5p h ARG 31 Cb 0.61 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1x5p h ARG 31 CO -0.03 0.78 -0.31 0.41 -1.07 0.00 0.00 179.97 179.74 1x5p n GLY 32 N -1.36 -0.58 0.11 0.04 0.00 -0.39 -2.43 105.19 100.59 1x5p n GLY 32 Ca 0.13 -0.43 -0.13 0.00 0.00 0.00 0.00 46.02 45.58 1x5p n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x5p n ALA 33 N -0.64 1.38 -0.01 4.61 0.00 -0.58 -4.31 120.51 120.97 1x5p n ALA 33 Ca 0.11 -1.01 0.00 0.00 0.00 0.00 0.00 53.44 52.55 1x5p n ALA 33 Cb 0.36 -0.43 -0.12 0.00 0.00 0.00 0.00 19.45 19.27 1x5p n ALA 33 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1x5p n PHE 34 N -3.06 0.54 -0.16 0.00 3.01 0.68 -4.29 117.46 114.18 1x5p n PHE 34 Ca -0.31 0.18 -0.04 0.00 1.01 0.00 0.00 57.45 58.29 1x5p n PHE 34 Cb 1.08 -0.94 0.05 0.00 -0.01 0.00 0.00 39.48 39.66 1x5p n PHE 34 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1x5p h SER 35 N 0.00 0.33 -0.04 4.37 0.87 -1.64 -1.40 113.55 116.04 1x5p h SER 35 Ca -0.21 0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.39 1x5p h SER 35 Cb 1.59 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 63.53 1x5p h SER 35 CO 0.03 0.23 0.61 -0.65 -0.53 0.00 0.00 176.83 176.52 1x5p h PRO 36 N 0.47 0.00 0.04 2.24 0.11 -1.75 0.62 132.00 133.73 1x5p h PRO 36 Ca 0.23 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 66.02 1x5p h PRO 36 Cb 0.16 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.23 1x5p h PRO 36 CO -0.17 0.00 -1.84 1.19 -0.21 0.00 0.00 178.00 176.97 1x5p n PHE 37 N -2.78 1.05 0.00 0.65 3.01 -0.54 -5.07 117.46 113.79 1x5p n PHE 37 Ca -0.00 0.32 0.00 0.00 1.01 0.00 0.00 57.45 58.77 1x5p n PHE 37 Cb 0.65 -1.17 0.00 0.00 -0.01 0.00 0.00 39.48 38.95 1x5p n PHE 37 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1x5p n GLY 38 N 1.72 0.19 3.19 1.37 0.00 0.22 -4.91 105.19 106.97 1x5p n GLY 38 Ca -0.23 0.46 -0.25 0.00 0.00 0.00 0.00 46.02 45.99 1x5p n GLY 38 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1x5p s ASN 39 N 2.00 2.19 -0.38 1.61 2.47 -1.26 -4.58 114.94 117.00 1x5p s ASN 39 Ca 0.00 -0.36 -0.11 0.00 0.42 0.00 0.00 52.86 52.81 1x5p s ASN 39 Cb 0.00 -0.23 0.03 0.00 -1.45 0.00 0.00 41.25 39.59 1x5p s ASN 39 CO 0.00 0.22 0.21 -0.63 -3.72 0.00 0.00 177.10 173.18 1x5p s ILE 40 N -0.49 4.62 -0.13 -5.21 1.01 -1.26 -2.90 121.20 116.85 1x5p s ILE 40 Ca 0.07 -0.84 0.19 0.00 0.00 0.00 0.00 60.65 60.07 1x5p s ILE 40 Cb -0.07 -3.58 -0.21 0.00 0.01 0.00 0.00 42.46 38.62 1x5p s ILE 40 CO -0.00 -0.24 0.58 2.30 0.00 0.00 0.00 174.94 177.58 1x5p n ILE 41 N 5.01 0.80 -3.58 2.92 -5.35 -0.80 -4.86 119.36 113.50 1x5p n ILE 41 Ca -0.12 -0.65 -0.19 0.00 -0.27 0.00 0.00 62.75 61.52 1x5p n ILE 41 Cb 0.46 -0.40 -0.15 0.00 -1.74 0.00 0.00 39.64 37.81 1x5p n ILE 41 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1x5p s ASP 42 N -5.28 1.34 -0.15 7.28 2.15 -1.24 -5.00 116.67 115.77 1x5p s ASP 42 Ca -0.06 -0.10 -0.03 0.00 0.43 0.00 0.00 52.55 52.80 1x5p s ASP 42 Cb 0.10 0.21 0.05 0.00 -0.30 0.00 0.00 42.92 42.98 1x5p s ASP 42 CO 0.84 -0.30 0.04 -0.22 -0.17 0.00 0.00 175.17 175.36 1x5p s LEU 43 N 2.28 0.85 0.08 -1.34 2.96 -1.25 0.18 118.68 122.44 1x5p s LEU 43 Ca 0.04 -0.57 0.09 0.00 -0.22 0.00 0.00 54.13 53.48 1x5p s LEU 43 Cb -0.14 -0.48 -0.03 0.00 0.50 0.00 0.00 46.19 46.04 1x5p s LEU 43 CO -0.09 -0.28 -0.23 -0.55 -1.32 0.00 0.00 176.35 173.87 1x5p s SER 44 N 1.95 2.84 0.00 3.68 0.15 -0.78 -4.96 113.70 116.58 1x5p s SER 44 Ca 0.01 -0.63 0.05 0.00 0.70 0.00 0.00 55.95 56.08 1x5p s SER 44 Cb -0.15 -0.21 -0.02 0.00 -1.71 0.00 0.00 66.02 63.93 1x5p s SER 44 CO -0.07 0.16 -0.16 -0.04 1.20 0.00 0.00 173.24 174.32 1x5p s MET 45 N -1.59 1.24 -0.38 5.44 -1.94 -1.26 -0.62 119.30 120.19 1x5p s MET 45 Ca 0.10 -0.65 0.02 0.00 -1.71 0.00 0.00 55.69 53.44 1x5p s MET 45 Cb -0.10 -1.23 0.11 0.00 2.01 0.00 0.00 34.83 35.62 1x5p s MET 45 CO 0.03 0.33 0.15 -0.51 -0.01 0.00 0.00 175.02 175.01 1x5p s ASP 46 N -0.62 4.13 0.28 3.03 1.01 -0.08 -4.99 116.67 119.43 1x5p s ASP 46 Ca 0.06 -2.24 0.02 0.00 0.71 0.00 0.00 52.55 51.09 1x5p s ASP 46 Cb -0.07 -1.20 0.68 0.00 1.01 0.00 0.00 42.92 43.34 1x5p s ASP 46 CO 0.00 -0.34 1.69 -0.65 0.21 0.00 0.00 175.17 176.08 1x5p h PRO 47 N 7.35 0.35 -0.16 8.23 0.11 -1.94 0.51 132.00 146.45 1x5p h PRO 47 Ca -0.07 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.05 1x5p h PRO 47 Cb 0.97 -0.08 -0.05 0.00 0.11 0.00 0.00 31.00 31.95 1x5p h PRO 47 CO 0.51 0.23 -0.43 -1.35 -0.21 0.00 0.00 178.00 176.75 1x5p h PRO 48 N 0.36 -0.41 -0.01 1.05 0.11 -1.95 -1.34 132.00 129.81 1x5p h PRO 48 Ca 0.53 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.67 1x5p h PRO 48 Cb 1.00 0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1x5p h PRO 48 CO -0.54 -0.27 -0.09 0.54 -0.21 0.00 0.00 178.00 177.43 1x5p n ARG 49 N -4.82 0.99 -3.20 1.05 3.00 -0.98 -4.92 116.66 107.78 1x5p n ARG 49 Ca -0.04 -0.41 -0.23 0.00 -0.01 0.00 0.00 57.85 57.16 1x5p n ARG 49 Cb 0.29 -1.49 0.02 0.00 0.00 0.00 0.00 32.46 31.28 1x5p n ARG 49 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1x5p n ASN 50 N -0.65 -5.24 -4.22 0.55 4.13 0.17 -4.87 115.26 105.14 1x5p n ASN 50 Ca 0.17 -0.35 -0.27 0.00 1.68 0.00 0.00 54.58 55.80 1x5p n ASN 50 Cb 0.28 -4.25 -0.06 0.00 -1.54 0.00 0.00 39.78 34.21 1x5p n ASN 50 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1x5p s ALA 52 N -2.79 -0.71 -0.20 0.00 0.00 0.11 -0.90 121.76 117.27 1x5p s ALA 52 Ca 0.03 -0.65 -0.04 0.00 0.00 0.00 0.00 51.96 51.29 1x5p s ALA 52 Cb 0.00 0.89 0.08 0.00 0.00 0.00 0.00 23.12 24.09 1x5p s ALA 52 CO 0.02 -0.96 0.15 -0.06 0.00 0.00 0.00 175.76 174.91 1x5p s PHE 53 N -3.51 -0.01 -0.15 0.00 0.40 0.21 -0.59 117.98 114.34 1x5p s PHE 53 Ca 0.16 -0.13 -0.05 0.00 -0.60 0.00 0.00 56.93 56.32 1x5p s PHE 53 Cb -0.04 -0.56 -0.03 0.00 0.51 0.00 0.00 43.02 42.89 1x5p s PHE 53 CO 0.10 -0.58 0.02 0.08 0.70 0.00 0.00 175.22 175.53 1x5p s VAL 54 N 2.22 4.42 -0.13 -0.44 1.01 -0.63 -1.87 120.40 124.99 1x5p s VAL 54 Ca 0.05 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 61.86 1x5p s VAL 54 Cb -0.16 -2.94 -0.01 0.00 0.00 0.00 0.00 36.38 33.27 1x5p s VAL 54 CO -0.13 0.51 -0.16 -0.89 0.00 0.00 0.00 175.10 174.43 1x5p s THR 55 N -0.02 2.72 0.00 3.92 2.01 0.13 0.23 115.64 124.63 1x5p s THR 55 Ca 0.04 -0.78 -0.09 0.00 0.31 0.00 0.00 61.69 61.17 1x5p s THR 55 Cb -0.13 -2.12 -0.05 0.00 0.01 0.00 0.00 72.50 70.21 1x5p s THR 55 CO 0.02 0.53 0.31 -0.31 -0.69 0.00 0.00 174.62 174.48 1x5p s TYR 56 N 0.45 3.61 0.46 4.92 2.02 -0.68 -1.90 117.35 126.24 1x5p s TYR 56 Ca -0.12 0.70 0.36 0.00 -0.37 0.00 0.00 57.07 57.65 1x5p s TYR 56 Cb -0.16 -2.08 1.97 0.00 -0.40 0.00 0.00 41.96 41.28 1x5p s TYR 56 CO 0.05 0.62 2.10 1.49 -1.57 0.00 0.00 175.55 178.24 1x5p h GLU 57 N 4.21 0.00 -4.99 -0.62 4.81 -1.87 -3.42 114.58 112.70 1x5p h GLU 57 Ca -0.51 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.39 1x5p h GLU 57 Cb 1.21 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 30.44 1x5p h GLU 57 CO 0.64 0.00 -0.68 0.15 -0.73 0.00 0.00 179.01 178.39 1x5p s LYS 58 N -3.98 1.16 0.24 1.92 1.02 -1.26 -5.05 119.74 113.78 1x5p s LYS 58 Ca -0.04 -1.54 0.18 0.00 0.02 0.00 0.00 55.97 54.59 1x5p s LYS 58 Cb 0.10 -0.51 0.05 0.00 -0.52 0.00 0.00 37.83 36.95 1x5p s LYS 58 CO 0.33 -0.04 1.24 0.00 -0.92 0.00 0.00 175.35 175.96 1x5p h MET 59 N 2.66 0.00 0.00 1.68 -0.00 -1.82 -3.27 114.93 114.18 1x5p h MET 59 Ca -0.37 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.33 1x5p h MET 59 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.80 1x5p h MET 59 CO 0.64 0.27 0.00 1.05 -0.00 0.00 0.00 176.91 178.87 1x5p h GLU 60 N 0.00 0.00 0.00 -0.10 4.11 -1.97 -1.82 114.58 114.81 1x5p h GLU 60 Ca -0.04 0.00 -0.30 0.00 0.07 0.00 0.00 59.36 59.09 1x5p h GLU 60 Cb 1.30 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.50 1x5p h GLU 60 CO 0.04 0.00 -1.76 0.43 0.07 0.00 0.00 179.01 177.79 1x5p n SER 61 N -3.07 0.84 0.12 3.06 7.64 -1.23 -3.59 113.62 117.38 1x5p n SER 61 Ca -0.02 0.39 -0.13 0.00 1.01 0.00 0.00 58.87 60.12 1x5p n SER 61 Cb 0.14 -0.01 -0.06 0.00 -1.01 0.00 0.00 64.21 63.27 1x5p n SER 61 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x5p h ALA 62 N 0.98 -0.45 -0.63 -0.43 0.00 -1.43 -0.35 119.26 116.94 1x5p h ALA 62 Ca -0.30 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.48 1x5p h ALA 62 Cb 2.03 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 20.20 1x5p h ALA 62 CO 0.08 -0.80 0.07 0.22 0.00 0.00 0.00 179.25 178.82 1x5p h ASP 63 N -0.48 1.02 0.12 0.00 1.82 -1.73 -2.54 116.42 114.63 1x5p h ASP 63 Ca 0.02 -0.25 -0.00 0.00 -0.39 0.00 0.00 57.03 56.41 1x5p h ASP 63 Cb 0.49 -0.27 -0.00 0.00 0.68 0.00 0.00 39.33 40.23 1x5p h ASP 63 CO -0.13 1.03 -0.09 1.56 -1.61 0.00 0.00 179.24 180.00 1x5p h GLN 64 N 0.99 -0.20 -0.45 0.28 4.20 -1.52 -0.95 115.11 117.46 1x5p h GLN 64 Ca 0.19 0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.99 1x5p h GLN 64 Cb 0.47 0.04 -0.09 0.00 0.30 0.00 0.00 27.48 28.20 1x5p h GLN 64 CO 0.02 -0.13 -0.44 0.00 -0.67 0.00 0.00 178.83 177.60 1x5p h ALA 65 N -1.70 -0.43 0.00 3.87 0.00 -1.14 0.88 119.26 120.73 1x5p h ALA 65 Ca -0.02 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1x5p h ALA 65 Cb 0.17 0.93 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1x5p h ALA 65 CO 0.01 -0.87 0.22 0.28 0.00 0.00 0.00 179.25 178.89 1x5p h VAL 66 N -0.31 0.00 0.04 0.00 2.07 -1.44 1.33 116.25 117.94 1x5p h VAL 66 Ca 0.14 0.00 -0.33 0.00 0.82 0.00 0.00 66.70 67.33 1x5p h VAL 66 Cb 0.58 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 1x5p h VAL 66 CO -0.60 0.00 -1.90 0.00 0.02 0.00 0.00 177.57 175.09 1x5p n ALA 67 N -1.78 1.29 -0.09 1.67 0.00 0.28 -3.76 120.51 118.11 1x5p n ALA 67 Ca -0.02 -0.77 -0.12 0.00 0.00 0.00 0.00 53.44 52.54 1x5p n ALA 67 Cb 0.26 -0.71 -0.04 0.00 0.00 0.00 0.00 19.45 18.96 1x5p n ALA 67 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1x5p n GLU 68 N -3.18 0.53 0.31 0.00 1.02 0.47 -4.36 120.64 115.42 1x5p n GLU 68 Ca -0.24 0.30 0.18 0.00 -0.02 0.00 0.00 57.16 57.38 1x5p n GLU 68 Cb 1.06 -1.51 0.94 0.00 -0.02 0.00 0.00 31.44 31.91 1x5p n GLU 68 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1x5p h LEU 69 N -1.00 0.00 -9.07 -4.62 3.38 0.14 -3.37 115.31 100.77 1x5p h LEU 69 Ca -0.12 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.23 1x5p h LEU 69 Cb 1.01 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.77 1x5p h LEU 69 CO -0.08 0.00 1.26 -3.20 0.09 0.00 0.00 178.44 176.52 1x5p n ASN 70 N -3.12 3.21 -1.86 -0.43 5.15 -1.20 -0.89 115.26 116.12 1x5p n ASN 70 Ca -0.01 0.68 -0.18 0.00 -0.60 0.00 0.00 54.58 54.47 1x5p n ASN 70 Cb 0.29 -1.40 -0.05 0.00 -0.53 0.00 0.00 39.78 38.09 1x5p n ASN 70 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1x5p n GLY 71 N 5.15 0.82 3.85 8.20 0.00 -0.97 -4.93 105.19 117.31 1x5p n GLY 71 Ca 0.28 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.98 1x5p n GLY 71 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1x5p s THR 72 N -2.64 4.63 -0.48 2.61 -1.32 -0.07 -4.85 115.64 113.52 1x5p s THR 72 Ca 0.00 0.98 -0.01 0.00 -1.21 0.00 0.00 61.69 61.45 1x5p s THR 72 Cb 0.00 -3.71 0.13 0.00 -1.51 0.00 0.00 72.50 67.40 1x5p s THR 72 CO 0.00 -0.58 0.27 -1.58 -2.21 0.00 0.00 174.62 170.52 1x5p s GLN 73 N -3.88 2.10 0.02 7.08 0.74 -1.26 -0.42 119.66 124.04 1x5p s GLN 73 Ca 0.56 -2.18 0.06 0.00 0.05 0.00 0.00 55.36 53.85 1x5p s GLN 73 Cb -0.10 -3.54 -0.03 0.00 1.10 0.00 0.00 33.01 30.44 1x5p s GLN 73 CO 0.30 -1.09 -0.17 0.14 -0.55 0.00 0.00 175.29 173.91 1x5p s VAL 74 N 0.51 2.82 -1.43 1.34 -7.23 -0.25 -4.63 120.40 111.53 1x5p s VAL 74 Ca 0.13 -1.09 -0.09 0.00 -1.81 0.00 0.00 61.98 59.12 1x5p s VAL 74 Cb -0.22 -2.16 0.05 0.00 0.56 0.00 0.00 36.38 34.61 1x5p s VAL 74 CO -0.04 0.40 0.68 -0.62 -0.31 0.00 0.00 175.10 175.21 1x5p n GLU 75 N 1.73 -4.57 -2.24 4.82 -0.58 -1.26 -0.13 120.64 118.42 1x5p n GLU 75 Ca -0.16 0.65 -0.19 0.00 -0.42 0.00 0.00 57.16 57.03 1x5p n GLU 75 Cb 0.52 -5.46 -0.02 0.00 -0.57 0.00 0.00 31.44 25.91 1x5p n GLU 75 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1x5p n SER 76 N -2.53 -5.53 -3.78 1.62 7.64 -1.26 -4.98 113.62 104.80 1x5p n SER 76 Ca -0.03 0.06 -0.18 0.00 1.01 0.00 0.00 58.87 59.74 1x5p n SER 76 Cb 0.56 -4.59 -0.17 0.00 -1.01 0.00 0.00 64.21 59.00 1x5p n SER 76 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1x5p s VAL 77 N -2.93 0.14 -0.60 0.44 1.01 0.82 -5.03 120.40 114.25 1x5p s VAL 77 Ca 0.00 0.16 -0.28 0.00 0.00 0.00 0.00 61.98 61.86 1x5p s VAL 77 Cb 0.00 -0.27 0.03 0.00 0.00 0.00 0.00 36.38 36.14 1x5p s VAL 77 CO 0.00 0.16 1.19 -1.10 0.00 0.00 0.00 175.10 175.35 1x5p s GLN 78 N 1.33 3.48 -0.02 2.72 -0.21 -1.26 -1.08 119.66 124.61 1x5p s GLN 78 Ca -0.05 0.18 -0.11 0.00 0.02 0.00 0.00 55.36 55.40 1x5p s GLN 78 Cb -0.13 -4.03 -0.05 0.00 1.00 0.00 0.00 33.01 29.80 1x5p s GLN 78 CO -0.02 -1.72 0.32 -0.51 -2.12 0.00 0.00 175.29 171.23 1x5p s LEU 79 N 5.00 4.42 -0.22 2.90 1.43 0.44 -4.64 118.68 128.01 1x5p s LEU 79 Ca 0.42 0.76 0.02 0.00 -1.03 0.00 0.00 54.13 54.29 1x5p s LEU 79 Cb -0.08 -2.51 0.05 0.00 0.03 0.00 0.00 46.19 43.68 1x5p s LEU 79 CO 0.24 0.32 -0.12 -0.75 0.23 0.00 0.00 176.35 176.27 1x5p s LYS 80 N -1.26 2.24 0.01 1.70 2.20 0.08 -2.30 119.74 122.42 1x5p s LYS 80 Ca 0.23 -1.04 0.03 0.00 -0.36 0.00 0.00 55.97 54.82 1x5p s LYS 80 Cb -0.15 -2.64 -0.04 0.00 -1.51 0.00 0.00 37.83 33.50 1x5p s LYS 80 CO 0.12 -0.46 -0.03 0.08 -0.36 0.00 0.00 175.35 174.70 1x5p s VAL 81 N 1.27 3.91 0.07 4.02 1.01 -1.26 0.22 120.40 129.64 1x5p s VAL 81 Ca -0.03 -0.73 -0.11 0.00 0.00 0.00 0.00 61.98 61.11 1x5p s VAL 81 Cb -0.17 -2.74 0.01 0.00 0.00 0.00 0.00 36.38 33.48 1x5p s VAL 81 CO -0.08 0.35 0.24 0.20 0.00 0.00 0.00 175.10 175.81 1x5p s ASN 82 N -1.58 0.01 -0.85 3.32 -0.87 0.50 -4.56 114.94 110.91 1x5p s ASN 82 Ca 0.19 -0.43 -0.25 0.00 -1.57 0.00 0.00 52.86 50.80 1x5p s ASN 82 Cb -0.11 0.34 0.02 0.00 -0.02 0.00 0.00 41.25 41.48 1x5p s ASN 82 CO 0.10 -0.66 1.51 -0.63 -2.57 0.00 0.00 177.10 174.85 1x5p s ILE 83 N -3.17 3.71 -0.46 0.60 -1.09 -1.26 -0.11 121.20 119.42 1x5p s ILE 83 Ca -0.00 -0.15 -0.46 0.00 -2.23 0.00 0.00 60.65 57.80 1x5p s ILE 83 Cb 0.02 -4.72 -0.20 0.00 -1.58 0.00 0.00 42.46 35.98 1x5p s ILE 83 CO -0.07 -1.64 1.60 0.00 -1.23 0.00 0.00 174.94 173.60 1x5p n ALA 84 N 10.27 -1.29 0.24 9.38 0.00 -1.25 -4.79 120.51 133.07 1x5p n ALA 84 Ca 0.21 0.49 0.12 0.00 0.00 0.00 0.00 53.44 54.26 1x5p n ALA 84 Cb 0.50 -1.95 0.58 0.00 0.00 0.00 0.00 19.45 18.58 1x5p n ALA 84 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1x5p h ARG 85 N 5.19 0.00 -4.73 0.00 2.43 -1.95 -3.39 114.38 111.94 1x5p h ARG 85 Ca -0.44 0.00 -0.67 0.00 -0.81 0.00 0.00 59.98 58.06 1x5p h ARG 85 Cb 1.37 0.00 -0.38 0.00 -0.42 0.00 0.00 29.97 30.54 1x5p h ARG 85 CO 0.97 0.16 -0.73 -1.59 -1.51 0.00 0.00 179.97 177.27 1x5p s LYS 86 N -3.79 1.84 -0.66 0.20 0.00 -1.26 -5.02 119.74 111.06 1x5p s LYS 86 Ca -0.00 -1.66 0.06 0.00 0.00 0.00 0.00 55.97 54.36 1x5p s LYS 86 Cb 0.11 -3.15 0.24 0.00 0.00 0.00 0.00 37.83 35.03 1x5p s LYS 86 CO 0.60 -0.81 0.73 1.04 0.00 0.00 0.00 175.35 176.91 1x5p n GLN 87 N 4.37 2.49 -0.50 1.78 6.02 -1.26 -5.09 117.38 125.19 1x5p n GLN 87 Ca -0.04 -4.66 -0.14 0.00 -0.01 0.00 0.00 57.00 52.16 1x5p n GLN 87 Cb 0.42 -2.27 0.12 0.00 1.02 0.00 0.00 30.24 29.53 1x5p n GLN 87 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1x5p n PRO 88 N 0.99 -2.04 -2.04 -1.09 -0.04 -1.26 -3.75 135.00 125.76 1x5p n PRO 88 Ca 0.29 -0.83 0.00 0.00 -0.04 0.00 0.00 63.50 62.91 1x5p n PRO 88 Cb 0.40 -0.78 0.00 0.00 -0.04 0.00 0.00 33.50 33.08 1x5p n PRO 88 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1x5p n MET 89 N -3.11 -2.47 -1.05 0.54 2.81 -1.26 -4.82 117.12 107.76 1x5p n MET 89 Ca 0.07 0.00 -0.31 0.00 -1.81 0.00 0.00 57.70 55.66 1x5p n MET 89 Cb 0.28 -3.85 0.13 0.00 -0.71 0.00 0.00 33.22 29.07 1x5p n MET 89 CO 0.00 0.00 0.00 -0.48 1.51 0.00 0.00 175.97 177.00 1x5p s LEU 90 N -3.97 2.79 0.25 4.03 2.34 -1.25 -4.92 118.68 117.96 1x5p s LEU 90 Ca 0.00 1.88 -0.30 0.00 0.06 0.00 0.00 54.13 55.77 1x5p s LEU 90 Cb 0.00 -4.41 -0.14 0.00 -0.56 0.00 0.00 46.19 41.08 1x5p s LEU 90 CO 0.00 -2.53 1.29 -0.90 -1.06 0.00 0.00 176.35 173.14 1x5p n ASP 91 N -3.85 2.31 -3.59 1.48 5.68 -1.26 -4.98 116.55 112.34 1x5p n ASP 91 Ca 0.09 1.16 -0.09 0.00 -0.50 0.00 0.00 54.79 55.45 1x5p n ASP 91 Cb 0.53 -1.38 -0.05 0.00 -1.14 0.00 0.00 41.12 39.08 1x5p n ASP 91 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1x5p s SER 92 N 0.02 -0.33 0.00 -1.12 0.15 -1.26 -5.09 113.70 106.06 1x5p s SER 92 Ca 0.65 0.37 0.00 0.00 0.70 0.00 0.00 55.95 57.68 1x5p s SER 92 Cb -0.68 0.29 0.00 0.00 -1.71 0.00 0.00 66.02 63.92 1x5p s SER 92 CO 0.54 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 175.29 1x5p n GLY 93 N 0.75 0.31 0.24 9.45 0.00 -1.26 -5.03 105.19 109.64 1x5p n GLY 93 Ca -0.09 -0.50 0.12 0.00 0.00 0.00 0.00 46.02 45.55 1x5p n GLY 93 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5p h PRO 94 N 0.00 0.00 -6.21 1.61 0.13 -2.05 -3.46 132.00 122.02 1x5p h PRO 94 Ca 0.00 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.46 1x5p h PRO 94 Cb 0.00 0.00 0.09 0.00 0.13 0.00 0.00 31.00 31.22 1x5p h PRO 94 CO 0.00 0.17 -0.02 -1.13 -0.23 0.00 0.00 178.00 176.78 1x5p n SER 95 N -3.39 0.36 -4.14 1.44 3.41 -1.26 -4.83 113.62 105.22 1x5p n SER 95 Ca -0.00 1.15 -0.36 0.00 -0.26 0.00 0.00 58.87 59.40 1x5p n SER 95 Cb 0.37 -1.11 0.05 0.00 -0.26 0.00 0.00 64.21 63.26 1x5p n SER 95 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1x5p n SER 96 N 1.79 -4.69 0.00 4.04 2.88 -1.26 -5.26 113.62 111.12 1x5p n SER 96 Ca 0.16 0.30 0.00 0.00 -1.33 0.00 0.00 58.87 58.00 1x5p n SER 96 Cb 0.24 -0.88 0.00 0.00 -0.75 0.00 0.00 64.21 62.81 1x5p n SER 96 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42