#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 -2.28 -2.49 1.61 7.64 -1.26 -4.84 113.62 112.00 1x5p n SER 2 Ca 0.00 -0.99 -0.36 0.00 1.01 0.00 0.00 58.87 58.53 1x5p n SER 2 Cb 0.00 -2.96 0.06 0.00 -1.01 0.00 0.00 64.21 60.31 1x5p n SER 2 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1x5p n SER 3 N -2.80 7.49 -2.22 6.43 3.41 -1.26 -4.96 113.62 119.72 1x5p n SER 3 Ca -0.08 -3.80 -0.07 0.00 -0.26 0.00 0.00 58.87 54.66 1x5p n SER 3 Cb 0.57 -0.97 -0.02 0.00 -0.26 0.00 0.00 64.21 63.53 1x5p n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x5p n GLY 4 N -0.79 3.93 3.54 5.00 0.00 -1.26 -5.14 105.19 110.46 1x5p n GLY 4 Ca 0.59 -2.04 -0.35 0.00 0.00 0.00 0.00 46.02 44.23 1x5p n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x5p s SER 5 N -1.65 5.21 -0.51 1.61 1.04 -1.26 -5.00 113.70 113.14 1x5p s SER 5 Ca 0.04 -0.07 0.03 0.00 0.48 0.00 0.00 55.95 56.43 1x5p s SER 5 Cb 0.00 -1.89 0.44 0.00 0.10 0.00 0.00 66.02 64.67 1x5p s SER 5 CO 0.03 0.12 1.56 -0.24 0.98 0.00 0.00 173.24 175.69 1x5p n SER 6 N 3.89 6.14 -4.61 7.02 2.88 -1.26 -5.05 113.62 122.63 1x5p n SER 6 Ca -0.17 -3.77 -0.30 0.00 -1.33 0.00 0.00 58.87 53.31 1x5p n SER 6 Cb 0.52 -0.66 0.19 0.00 -0.75 0.00 0.00 64.21 63.52 1x5p n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x5p s GLY 7 N -2.70 1.61 -1.34 0.46 0.00 -1.26 -3.70 107.32 100.39 1x5p s GLY 7 Ca 0.55 0.15 -0.07 0.00 0.00 0.00 0.00 44.72 45.36 1x5p s GLY 7 CO -0.07 0.71 1.10 -2.21 0.00 0.00 0.00 173.10 172.64 1x5p n GLU 8 N -4.43 -7.30 -0.12 2.90 4.07 -1.26 -4.89 120.64 109.61 1x5p n GLU 8 Ca 0.07 0.80 -0.05 0.00 -0.06 0.00 0.00 57.16 57.92 1x5p n GLU 8 Cb 0.54 -5.81 0.01 0.00 -0.06 0.00 0.00 31.44 26.12 1x5p n GLU 8 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1x5p h ARG 9 N -2.43 -0.12 -7.26 5.31 2.47 -2.02 -3.42 114.38 106.90 1x5p h ARG 9 Ca -0.58 0.01 -0.49 0.00 -1.26 0.00 0.00 59.98 57.66 1x5p h ARG 9 Cb 1.36 0.03 0.18 0.00 -1.65 0.00 0.00 29.97 29.89 1x5p h ARG 9 CO 0.56 -0.08 0.20 1.03 0.56 0.00 0.00 179.97 182.24 1x5p s ARG 10 N -6.14 0.84 -0.02 0.04 3.00 -1.26 -5.04 118.95 110.38 1x5p s ARG 10 Ca -0.14 1.20 0.04 0.00 0.00 0.00 0.00 55.73 56.82 1x5p s ARG 10 Cb 0.15 -1.73 -0.03 0.00 0.00 0.00 0.00 34.95 33.33 1x5p s ARG 10 CO 0.70 -2.64 -0.11 0.00 0.00 0.00 0.00 175.30 173.25 1x5p s ALA 11 N -2.70 2.82 -2.00 2.13 0.00 -1.26 -5.00 121.76 115.75 1x5p s ALA 11 Ca 0.66 -1.01 0.15 0.00 0.00 0.00 0.00 51.96 51.75 1x5p s ALA 11 Cb -0.21 -1.03 0.89 0.00 0.00 0.00 0.00 23.12 22.77 1x5p s ALA 11 CO 0.59 0.58 1.30 -0.35 0.00 0.00 0.00 175.76 177.88 1x5p n PRO 12 N 1.93 0.49 -1.47 0.00 -0.04 -1.26 -4.83 135.00 129.81 1x5p n PRO 12 Ca -0.17 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 62.93 1x5p n PRO 12 Cb 0.52 -1.48 0.08 0.00 -0.04 0.00 0.00 33.50 32.59 1x5p n PRO 12 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1x5p n ARG 13 N -0.98 0.70 -0.03 0.54 0.00 -1.26 -4.89 116.66 110.75 1x5p n ARG 13 Ca 0.11 0.30 -0.01 0.00 -0.00 0.00 0.00 57.85 58.25 1x5p n ARG 13 Cb 0.05 -2.36 -0.01 0.00 0.00 0.00 0.00 32.46 30.14 1x5p n ARG 13 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1x5p n LYS 14 N -2.02 -0.03 -2.03 -0.14 5.02 -1.26 -4.92 118.16 112.77 1x5p n LYS 14 Ca 0.14 0.73 -0.03 0.00 -2.02 0.00 0.00 58.31 57.13 1x5p n LYS 14 Cb 0.49 -1.09 -0.02 0.00 -0.02 0.00 0.00 35.03 34.39 1x5p n LYS 14 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x5p n GLY 15 N -1.02 -4.27 0.02 0.72 0.00 -1.26 -4.84 105.19 94.54 1x5p n GLY 15 Ca 0.00 0.66 -0.02 0.00 0.00 0.00 0.00 46.02 46.66 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 0.94 3.94 -4.88 1.61 6.94 -1.26 -4.53 115.26 118.00 1x5p n ASN 16 Ca -0.20 -0.01 -0.29 0.00 -0.02 0.00 0.00 54.58 54.06 1x5p n ASN 16 Cb 0.31 0.27 -0.02 0.00 -2.36 0.00 0.00 39.78 37.98 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 -2.08 4.83 -0.05 5.53 2.01 -1.26 -2.13 115.64 122.50 1x5p s THR 17 Ca -0.04 0.48 0.01 0.00 0.31 0.00 0.00 61.69 62.45 1x5p s THR 17 Cb 0.01 -3.77 0.02 0.00 0.01 0.00 0.00 72.50 68.78 1x5p s THR 17 CO 0.12 -0.60 -0.04 -0.76 -0.69 0.00 0.00 174.62 172.66 1x5p s LEU 18 N -4.07 1.25 -0.46 4.42 1.43 -0.41 -4.05 118.68 116.80 1x5p s LEU 18 Ca 0.50 -0.12 -0.26 0.00 -1.03 0.00 0.00 54.13 53.22 1x5p s LEU 18 Cb -0.10 -0.43 0.03 0.00 0.03 0.00 0.00 46.19 45.71 1x5p s LEU 18 CO 0.35 -0.07 0.96 -0.47 0.23 0.00 0.00 176.35 177.35 1x5p s TYR 19 N 1.02 2.91 0.02 0.29 6.14 0.12 -2.29 117.35 125.58 1x5p s TYR 19 Ca -0.09 0.46 0.02 0.00 0.64 0.00 0.00 57.07 58.09 1x5p s TYR 19 Cb -0.14 -4.03 -0.04 0.00 0.42 0.00 0.00 41.96 38.18 1x5p s TYR 19 CO -0.01 -1.11 0.01 0.08 0.64 0.00 0.00 175.55 175.16 1x5p s VAL 20 N 3.85 4.18 -0.03 3.14 1.01 0.11 0.05 120.40 132.72 1x5p s VAL 20 Ca 0.39 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.71 1x5p s VAL 20 Cb -0.10 -2.90 0.01 0.00 0.00 0.00 0.00 36.38 33.39 1x5p s VAL 20 CO 0.27 0.31 -0.06 -0.47 0.00 0.00 0.00 175.10 175.15 1x5p s TYR 21 N -1.15 0.72 0.19 5.22 6.14 0.94 -0.13 117.35 129.27 1x5p s TYR 21 Ca 0.22 -0.17 -0.01 0.00 0.64 0.00 0.00 57.07 57.74 1x5p s TYR 21 Cb -0.12 -0.56 0.00 0.00 0.42 0.00 0.00 41.96 41.70 1x5p s TYR 21 CO 0.13 -0.11 0.26 0.41 0.64 0.00 0.00 175.55 176.87 1x5p n GLY 22 N 3.53 2.63 0.88 8.97 0.00 0.19 -1.67 105.19 119.73 1x5p n GLY 22 Ca -0.20 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.30 1x5p n GLY 22 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1x5p n GLU 23 N -0.31 0.00 -2.20 1.61 0.28 -1.26 -4.64 120.64 114.11 1x5p n GLU 23 Ca 0.01 0.00 -0.22 0.00 -0.16 0.00 0.00 57.16 56.78 1x5p n GLU 23 Cb 0.31 -0.41 0.02 0.00 1.43 0.00 0.00 31.44 32.79 1x5p n GLU 23 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1x5p n ASP 24 N -2.30 4.52 -4.59 -1.84 2.03 -1.26 -5.05 116.55 108.06 1x5p n ASP 24 Ca 0.00 -3.57 -0.27 0.00 0.52 0.00 0.00 54.79 51.47 1x5p n ASP 24 Cb 0.18 -0.38 -0.09 0.00 -0.72 0.00 0.00 41.12 40.11 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 -3.59 2.13 0.16 -0.67 0.23 -1.26 -4.94 119.30 111.36 1x5p s MET 25 Ca 0.48 -1.23 0.08 0.00 -1.03 0.00 0.00 55.69 53.99 1x5p s MET 25 Cb 0.40 -2.20 -0.04 0.00 -1.53 0.00 0.00 34.83 31.46 1x5p s MET 25 CO -0.02 0.44 -0.17 0.95 -2.03 0.00 0.00 175.02 174.19 1x5p s THR 26 N -1.70 1.74 0.07 3.16 -4.23 -1.26 -5.05 115.64 108.36 1x5p s THR 26 Ca 0.25 -1.91 -0.21 0.00 -1.18 0.00 0.00 61.69 58.65 1x5p s THR 26 Cb -0.09 -1.81 -0.08 0.00 1.34 0.00 0.00 72.50 71.87 1x5p s THR 26 CO 0.16 -0.35 1.34 -0.65 -0.54 0.00 0.00 174.62 174.57 1x5p h PRO 27 N 3.24 -0.32 -1.34 3.99 0.11 -1.99 0.20 132.00 135.90 1x5p h PRO 27 Ca -0.42 0.02 0.39 0.00 0.11 0.00 0.00 66.00 66.10 1x5p h PRO 27 Cb 1.21 0.07 -0.06 0.00 0.11 0.00 0.00 31.00 32.32 1x5p h PRO 27 CO 0.52 -0.21 0.95 1.15 -0.21 0.00 0.00 178.00 180.19 1x5p h THR 28 N -0.33 0.32 -0.09 -1.15 2.02 -2.00 0.29 112.91 111.97 1x5p h THR 28 Ca 0.02 -0.01 -0.03 0.00 0.77 0.00 0.00 66.41 67.16 1x5p h THR 28 Cb 0.40 0.28 -0.00 0.00 -1.74 0.00 0.00 68.15 67.09 1x5p h THR 28 CO -0.29 0.01 -0.05 0.25 0.37 0.00 0.00 175.52 175.81 1x5p h LEU 29 N 0.04 0.19 -1.82 2.58 6.46 -1.40 -3.03 115.31 118.34 1x5p h LEU 29 Ca 0.66 -0.43 -0.02 0.00 -0.12 0.00 0.00 57.88 57.97 1x5p h LEU 29 Cb 2.51 -0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 42.39 1x5p h LEU 29 CO -0.06 0.58 -0.09 -0.07 -0.62 0.00 0.00 178.44 178.18 1x5p h LEU 30 N -0.19 0.00 -0.64 2.25 3.38 0.23 -1.74 115.31 118.61 1x5p h LEU 30 Ca 0.02 -0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.03 1x5p h LEU 30 Cb 0.52 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 1x5p h LEU 30 CO 0.01 0.09 0.38 0.03 0.09 0.00 0.00 178.44 179.05 1x5p h ARG 31 N 0.00 0.71 -0.01 1.13 3.08 -1.21 0.39 114.38 118.47 1x5p h ARG 31 Ca -0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1x5p h ARG 31 Cb 0.16 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1x5p h ARG 31 CO 0.01 0.47 -0.23 0.41 -1.07 0.00 0.00 179.97 179.56 1x5p n GLY 32 N -1.28 -0.56 0.10 0.04 0.00 -0.92 -2.28 105.19 100.30 1x5p n GLY 32 Ca 0.07 -0.41 -0.12 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.57 1.45 -0.00 4.61 0.00 -0.68 -4.39 120.51 120.92 1x5p n ALA 33 Ca 0.13 -1.14 0.04 0.00 0.00 0.00 0.00 53.44 52.48 1x5p n ALA 33 Cb 0.35 -0.34 -0.13 0.00 0.00 0.00 0.00 19.45 19.33 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 -2.94 0.34 -0.16 0.00 3.01 0.13 -4.33 117.46 113.51 1x5p n PHE 34 Ca -0.31 0.11 -0.04 0.00 1.01 0.00 0.00 57.45 58.21 1x5p n PHE 34 Cb 1.10 -0.79 0.05 0.00 -0.01 0.00 0.00 39.48 39.83 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 0.32 -0.22 4.37 0.87 -1.61 -1.41 113.55 115.86 1x5p h SER 35 Ca -0.15 0.03 0.06 0.00 -1.23 0.00 0.00 61.79 60.51 1x5p h SER 35 Cb 1.38 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 63.31 1x5p h SER 35 CO 0.02 0.22 0.65 -0.65 -0.53 0.00 0.00 176.83 176.54 1x5p h PRO 36 N 0.46 0.00 0.08 2.24 0.11 -1.77 0.28 132.00 133.40 1x5p h PRO 36 Ca 0.22 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.97 1x5p h PRO 36 Cb 0.15 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.23 1x5p h PRO 36 CO -0.17 0.00 -2.08 1.19 -0.21 0.00 0.00 178.00 176.73 1x5p n PHE 37 N -2.99 0.91 -1.95 0.65 3.01 -0.55 -5.08 117.46 111.45 1x5p n PHE 37 Ca 0.04 0.21 0.00 0.00 1.01 0.00 0.00 57.45 58.71 1x5p n PHE 37 Cb 0.75 -1.13 0.00 0.00 -0.01 0.00 0.00 39.48 39.09 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 1.98 1.69 3.59 1.37 0.00 0.99 -4.87 105.19 109.95 1x5p n GLY 38 Ca -0.33 -0.42 -0.35 0.00 0.00 0.00 0.00 46.02 44.93 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 5.51 -0.41 1.61 2.47 -1.26 -4.21 114.94 120.66 1x5p s ASN 39 Ca 0.00 0.01 -0.22 0.00 0.42 0.00 0.00 52.86 53.07 1x5p s ASN 39 Cb 0.00 -1.96 0.02 0.00 -1.45 0.00 0.00 41.25 37.86 1x5p s ASN 39 CO 0.00 0.12 0.74 -0.63 -3.72 0.00 0.00 177.10 173.61 1x5p s ILE 40 N 0.68 4.74 -0.11 -5.21 1.01 -1.26 -1.91 121.20 119.14 1x5p s ILE 40 Ca 0.03 0.54 0.21 0.00 0.00 0.00 0.00 60.65 61.43 1x5p s ILE 40 Cb -0.13 -4.23 -0.24 0.00 0.01 0.00 0.00 42.46 37.86 1x5p s ILE 40 CO 0.02 -0.55 0.52 2.30 0.00 0.00 0.00 174.94 177.23 1x5p n ILE 41 N 5.91 0.54 -3.49 2.92 -5.35 -0.80 -4.85 119.36 114.25 1x5p n ILE 41 Ca 0.01 -0.61 -0.19 0.00 -0.27 0.00 0.00 62.75 61.69 1x5p n ILE 41 Cb 0.48 -0.25 -0.13 0.00 -1.74 0.00 0.00 39.64 38.01 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 -5.02 1.59 -0.21 7.28 2.15 -1.24 -5.00 116.67 116.22 1x5p s ASP 42 Ca -0.07 -0.38 -0.00 0.00 0.43 0.00 0.00 52.55 52.53 1x5p s ASP 42 Cb 0.11 0.33 0.06 0.00 -0.30 0.00 0.00 42.92 43.12 1x5p s ASP 42 CO 0.86 -0.34 -0.03 -0.22 -0.17 0.00 0.00 175.17 175.27 1x5p s LEU 43 N 2.31 2.04 -0.03 -1.34 2.96 -1.25 -0.16 118.68 123.21 1x5p s LEU 43 Ca 0.07 -0.99 0.06 0.00 -0.22 0.00 0.00 54.13 53.06 1x5p s LEU 43 Cb -0.16 -0.99 -0.01 0.00 0.50 0.00 0.00 46.19 45.54 1x5p s LEU 43 CO -0.16 -0.24 -0.21 -0.94 -1.32 0.00 0.00 176.35 173.47 1x5p s SER 44 N 1.55 2.57 -0.07 3.68 1.04 -0.86 -4.97 113.70 116.63 1x5p s SER 44 Ca -0.03 -0.41 0.05 0.00 0.48 0.00 0.00 55.95 56.03 1x5p s SER 44 Cb -0.18 -0.52 -0.01 0.00 0.10 0.00 0.00 66.02 65.42 1x5p s SER 44 CO -0.07 0.23 -0.23 -0.04 0.98 0.00 0.00 173.24 174.11 1x5p s MET 45 N -0.27 2.74 -0.44 4.02 -1.94 -1.26 -0.52 119.30 121.63 1x5p s MET 45 Ca 0.02 -0.86 0.02 0.00 -1.71 0.00 0.00 55.69 53.16 1x5p s MET 45 Cb -0.11 -2.26 0.12 0.00 2.01 0.00 0.00 34.83 34.60 1x5p s MET 45 CO 0.01 0.34 0.19 -0.51 -0.01 0.00 0.00 175.02 175.04 1x5p s ASP 46 N -0.05 4.75 0.28 3.03 1.01 -0.45 -4.98 116.67 120.27 1x5p s ASP 46 Ca -0.06 -2.51 0.02 0.00 0.71 0.00 0.00 52.55 50.71 1x5p s ASP 46 Cb -0.15 -1.69 0.68 0.00 1.01 0.00 0.00 42.92 42.77 1x5p s ASP 46 CO 0.05 -0.36 1.69 -0.65 0.21 0.00 0.00 175.17 176.11 1x5p h PRO 47 N 7.24 0.35 -0.12 8.23 0.11 -1.94 0.69 132.00 146.56 1x5p h PRO 47 Ca -0.06 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 66.05 1x5p h PRO 47 Cb 0.97 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 31.96 1x5p h PRO 47 CO 0.63 0.23 -0.34 -1.35 -0.21 0.00 0.00 178.00 176.96 1x5p h PRO 48 N 0.36 -0.33 -0.01 1.05 0.11 -1.96 -1.68 132.00 129.55 1x5p h PRO 48 Ca 0.53 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.67 1x5p h PRO 48 Cb 1.00 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1x5p h PRO 48 CO -0.54 -0.22 -0.06 0.54 -0.21 0.00 0.00 178.00 177.51 1x5p n ARG 49 N -4.36 1.15 -3.38 1.05 5.12 -1.01 -4.92 116.66 110.31 1x5p n ARG 49 Ca -0.03 -0.50 -0.25 0.00 -1.93 0.00 0.00 57.85 55.14 1x5p n ARG 49 Cb 0.23 -1.49 0.03 0.00 -1.16 0.00 0.00 32.46 30.07 1x5p n ARG 49 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1x5p n ASN 50 N -0.49 -5.22 -4.87 0.55 4.13 0.24 -4.83 115.26 104.77 1x5p n ASN 50 Ca 0.18 -0.45 -0.28 0.00 1.68 0.00 0.00 54.58 55.70 1x5p n ASN 50 Cb 0.28 -4.21 -0.02 0.00 -1.54 0.00 0.00 39.78 34.29 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 -2.82 -1.85 -0.39 0.00 0.00 0.82 -1.34 121.76 116.19 1x5p s ALA 52 Ca 0.25 2.24 -0.07 0.00 0.00 0.00 0.00 51.96 54.37 1x5p s ALA 52 Cb -0.01 -1.33 0.07 0.00 0.00 0.00 0.00 23.12 21.85 1x5p s ALA 52 CO 0.15 -0.36 0.19 -0.06 0.00 0.00 0.00 175.76 175.69 1x5p s PHE 53 N 1.05 3.34 -0.23 0.00 0.40 0.32 0.06 117.98 122.92 1x5p s PHE 53 Ca -0.05 -1.61 -0.07 0.00 -0.60 0.00 0.00 56.93 54.59 1x5p s PHE 53 Cb -0.05 -2.74 -0.03 0.00 0.51 0.00 0.00 43.02 40.71 1x5p s PHE 53 CO -0.10 -0.82 0.07 0.08 0.70 0.00 0.00 175.22 175.14 1x5p s VAL 54 N 1.38 4.42 -0.15 -0.44 1.01 -0.97 -2.03 120.40 123.62 1x5p s VAL 54 Ca 0.02 -0.14 -0.05 0.00 0.00 0.00 0.00 61.98 61.81 1x5p s VAL 54 Cb -0.22 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 1x5p s VAL 54 CO 0.01 0.36 0.03 -0.89 0.00 0.00 0.00 175.10 174.61 1x5p s THR 55 N 1.34 4.48 0.02 3.92 2.01 0.77 -1.28 115.64 126.89 1x5p s THR 55 Ca 0.05 -0.16 -0.03 0.00 0.31 0.00 0.00 61.69 61.87 1x5p s THR 55 Cb -0.15 -2.97 -0.04 0.00 0.01 0.00 0.00 72.50 69.35 1x5p s THR 55 CO 0.04 0.51 0.21 -0.31 -0.69 0.00 0.00 174.62 174.38 1x5p s TYR 56 N 0.01 3.54 0.61 4.92 2.02 -0.90 -1.91 117.35 125.65 1x5p s TYR 56 Ca 0.04 0.38 0.33 0.00 -0.37 0.00 0.00 57.07 57.44 1x5p s TYR 56 Cb -0.13 -1.85 1.89 0.00 -0.40 0.00 0.00 41.96 41.48 1x5p s TYR 56 CO 0.02 0.62 2.21 1.49 -1.57 0.00 0.00 175.55 178.32 1x5p h GLU 57 N 3.62 0.00 -5.22 -0.62 4.81 -1.73 -3.43 114.58 112.01 1x5p h GLU 57 Ca -0.48 0.00 -0.46 0.00 -0.13 0.00 0.00 59.36 58.29 1x5p h GLU 57 Cb 1.18 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 30.42 1x5p h GLU 57 CO 0.70 0.00 -0.62 0.15 -0.73 0.00 0.00 179.01 178.51 1x5p s LYS 58 N -4.50 1.59 -0.07 1.92 -0.14 -1.26 -5.07 119.74 112.20 1x5p s LYS 58 Ca -0.05 -1.86 -0.21 0.00 -1.36 0.00 0.00 55.97 52.49 1x5p s LYS 58 Cb 0.14 -0.83 -0.30 0.00 -1.68 0.00 0.00 37.83 35.16 1x5p s LYS 58 CO 0.50 -0.16 0.79 0.00 -0.76 0.00 0.00 175.35 175.73 1x5p h MET 59 N 2.20 0.26 -0.97 1.68 -0.00 -1.83 -3.35 114.93 112.92 1x5p h MET 59 Ca -0.40 -0.45 0.26 0.00 -0.00 0.00 0.00 59.70 59.11 1x5p h MET 59 Cb 1.24 0.17 -0.18 0.00 -0.00 0.00 0.00 31.60 32.82 1x5p h MET 59 CO 0.68 1.21 -0.02 -0.85 -0.00 0.00 0.00 176.91 177.93 1x5p n GLU 60 N -4.12 -0.08 -0.01 -0.10 0.28 -1.26 0.51 120.64 115.86 1x5p n GLU 60 Ca -0.17 1.47 -0.09 0.00 -0.16 0.00 0.00 57.16 58.21 1x5p n GLU 60 Cb 0.82 -2.31 -0.04 0.00 1.43 0.00 0.00 31.44 31.34 1x5p n GLU 60 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 177.13 177.74 1x5p h SER 61 N 0.00 -0.14 -0.86 -1.84 0.02 -1.90 -1.42 113.55 107.42 1x5p h SER 61 Ca 0.57 0.04 0.08 0.00 -0.84 0.00 0.00 61.79 61.64 1x5p h SER 61 Cb 1.13 0.09 -0.10 0.00 0.14 0.00 0.00 62.40 63.66 1x5p h SER 61 CO -0.93 -0.05 -0.50 0.00 -1.14 0.00 0.00 176.83 174.20 1x5p n ALA 62 N -2.31 -0.55 -0.21 3.77 0.00 0.18 0.09 120.51 121.49 1x5p n ALA 62 Ca -0.04 0.73 -0.07 0.00 0.00 0.00 0.00 53.44 54.05 1x5p n ALA 62 Cb 0.10 -0.08 0.03 0.00 0.00 0.00 0.00 19.45 19.50 1x5p n ALA 62 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1x5p h ASP 63 N 0.00 0.83 0.14 0.00 1.82 -1.45 -2.33 116.42 115.44 1x5p h ASP 63 Ca 0.14 -0.18 -0.00 0.00 -0.39 0.00 0.00 57.03 56.60 1x5p h ASP 63 Cb 0.35 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 40.13 1x5p h ASP 63 CO -0.80 0.78 -0.21 1.56 -1.61 0.00 0.00 179.24 178.96 1x5p h GLN 64 N 0.83 -0.35 -0.05 0.28 4.20 0.58 -0.45 115.11 120.15 1x5p h GLN 64 Ca 0.20 0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.95 1x5p h GLN 64 Cb 0.22 0.08 -0.05 0.00 0.30 0.00 0.00 27.48 28.03 1x5p h GLN 64 CO -0.01 -0.24 -0.43 0.00 -0.67 0.00 0.00 178.83 177.48 1x5p h ALA 65 N -1.31 -0.83 -0.10 3.87 0.00 -0.38 0.29 119.26 120.79 1x5p h ALA 65 Ca -0.02 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.86 1x5p h ALA 65 Cb 0.33 0.90 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1x5p h ALA 65 CO -0.06 -0.98 0.58 0.28 0.00 0.00 0.00 179.25 179.07 1x5p h VAL 66 N -0.50 0.04 0.09 0.00 2.07 -1.39 1.42 116.25 117.98 1x5p h VAL 66 Ca 0.02 0.00 -0.30 0.00 0.82 0.00 0.00 66.70 67.23 1x5p h VAL 66 Cb 0.56 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 1x5p h VAL 66 CO -0.32 0.00 -1.57 0.00 0.02 0.00 0.00 177.57 175.70 1x5p h ALA 67 N 0.93 0.36 0.00 1.67 0.00 0.13 -3.27 119.26 119.09 1x5p h ALA 67 Ca 0.05 -1.17 -0.10 0.00 0.00 0.00 0.00 54.91 53.68 1x5p h ALA 67 Cb 1.21 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 19.31 1x5p h ALA 67 CO -0.00 1.23 -1.24 0.39 0.00 0.00 0.00 179.25 179.63 1x5p n GLU 68 N -3.39 0.53 0.22 0.00 1.02 0.25 -4.34 120.64 114.93 1x5p n GLU 68 Ca -0.17 0.28 0.11 0.00 -0.02 0.00 0.00 57.16 57.37 1x5p n GLU 68 Cb 1.04 -1.50 0.60 0.00 -0.02 0.00 0.00 31.44 31.56 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 -9.03 -4.62 3.38 0.13 -3.35 115.31 100.82 1x5p h LEU 69 Ca -0.15 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.25 1x5p h LEU 69 Cb 1.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1x5p h LEU 69 CO -0.09 0.00 1.32 0.21 0.09 0.00 0.00 178.44 179.97 1x5p s ASN 70 N -3.95 5.91 -1.30 -0.43 2.47 -1.23 -1.85 114.94 114.57 1x5p s ASN 70 Ca -0.02 1.83 0.00 0.00 0.42 0.00 0.00 52.86 55.09 1x5p s ASN 70 Cb 0.06 -2.52 0.00 0.00 -1.45 0.00 0.00 41.25 37.34 1x5p s ASN 70 CO 0.20 -1.61 0.00 0.61 -3.72 0.00 0.00 177.10 172.58 1x5p n GLY 71 N 5.25 1.26 3.83 1.21 0.00 -0.95 -4.96 105.19 110.82 1x5p n GLY 71 Ca 0.24 -0.19 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.26 4.44 -0.48 2.61 -1.32 -0.77 -4.84 115.64 113.02 1x5p s THR 72 Ca 0.00 1.39 -0.04 0.00 -1.21 0.00 0.00 61.69 61.83 1x5p s THR 72 Cb 0.00 -3.61 0.13 0.00 -1.51 0.00 0.00 72.50 67.51 1x5p s THR 72 CO 0.00 -0.31 0.30 -1.58 -2.21 0.00 0.00 174.62 170.82 1x5p s GLN 73 N -3.18 2.25 -0.02 7.08 0.74 -1.26 -0.75 119.66 124.51 1x5p s GLN 73 Ca 0.61 -2.02 0.05 0.00 0.05 0.00 0.00 55.36 54.05 1x5p s GLN 73 Cb -0.09 -3.69 -0.03 0.00 1.10 0.00 0.00 33.01 30.30 1x5p s GLN 73 CO 0.14 -1.12 -0.15 0.14 -0.55 0.00 0.00 175.29 173.75 1x5p s VAL 74 N 0.83 3.00 -1.38 1.34 -7.23 -0.59 -4.59 120.40 111.79 1x5p s VAL 74 Ca 0.10 -0.86 -0.01 0.00 -1.81 0.00 0.00 61.98 59.40 1x5p s VAL 74 Cb -0.22 -2.21 0.01 0.00 0.56 0.00 0.00 36.38 34.52 1x5p s VAL 74 CO -0.04 0.51 0.11 -0.62 -0.31 0.00 0.00 175.10 174.75 1x5p n GLU 75 N 2.05 -2.45 -1.99 4.82 -0.58 -1.26 -0.12 120.64 121.10 1x5p n GLU 75 Ca -0.17 0.76 -0.14 0.00 -0.42 0.00 0.00 57.16 57.20 1x5p n GLU 75 Cb 0.52 -5.42 -0.02 0.00 -0.57 0.00 0.00 31.44 25.94 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 -2.00 -4.35 -3.79 1.62 7.64 -1.26 -5.00 113.62 106.48 1x5p n SER 76 Ca -0.17 0.09 -0.21 0.00 1.01 0.00 0.00 58.87 59.60 1x5p n SER 76 Cb 0.63 -3.38 -0.17 0.00 -1.01 0.00 0.00 64.21 60.29 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 -2.63 0.31 -0.42 0.44 1.01 0.82 -5.07 120.40 114.87 1x5p s VAL 77 Ca 0.00 0.11 -0.29 0.00 0.00 0.00 0.00 61.98 61.80 1x5p s VAL 77 Cb 0.00 -0.44 0.01 0.00 0.00 0.00 0.00 36.38 35.96 1x5p s VAL 77 CO 0.00 0.22 1.35 -1.10 0.00 0.00 0.00 175.10 175.57 1x5p s GLN 78 N 1.60 3.62 -0.12 2.72 -0.21 -1.26 -1.54 119.66 124.47 1x5p s GLN 78 Ca -0.01 0.89 -0.09 0.00 0.02 0.00 0.00 55.36 56.16 1x5p s GLN 78 Cb -0.13 -3.99 -0.05 0.00 1.00 0.00 0.00 33.01 29.84 1x5p s GLN 78 CO -0.03 -1.50 0.19 -0.51 -2.12 0.00 0.00 175.29 171.32 1x5p s LEU 79 N 5.18 4.35 -0.27 2.90 1.43 0.07 -4.72 118.68 127.61 1x5p s LEU 79 Ca 0.58 0.50 0.02 0.00 -1.03 0.00 0.00 54.13 54.21 1x5p s LEU 79 Cb -0.13 -2.18 0.06 0.00 0.03 0.00 0.00 46.19 43.97 1x5p s LEU 79 CO 0.32 0.32 -0.08 -0.54 0.23 0.00 0.00 176.35 176.60 1x5p s LYS 80 N -0.62 2.25 0.07 1.70 1.02 -0.67 -2.24 119.74 121.26 1x5p s LYS 80 Ca 0.15 -1.36 0.03 0.00 0.02 0.00 0.00 55.97 54.82 1x5p s LYS 80 Cb -0.13 -2.97 -0.04 0.00 -0.52 0.00 0.00 37.83 34.17 1x5p s LYS 80 CO 0.04 -0.60 0.06 0.08 -0.92 0.00 0.00 175.35 174.01 1x5p s VAL 81 N 1.13 4.40 -0.08 3.17 1.01 -1.26 -0.04 120.40 128.73 1x5p s VAL 81 Ca -0.07 -0.77 -0.18 0.00 0.00 0.00 0.00 61.98 60.95 1x5p s VAL 81 Cb -0.20 -3.10 0.04 0.00 0.00 0.00 0.00 36.38 33.12 1x5p s VAL 81 CO -0.04 0.16 0.44 0.21 0.00 0.00 0.00 175.10 175.87 1x5p s ASN 82 N -2.25 -0.39 -0.60 3.32 2.47 0.11 -4.66 114.94 112.93 1x5p s ASN 82 Ca 0.27 0.53 -0.27 0.00 0.42 0.00 0.00 52.86 53.82 1x5p s ASN 82 Cb -0.12 0.60 -0.02 0.00 -1.45 0.00 0.00 41.25 40.26 1x5p s ASN 82 CO 0.20 -0.37 1.85 -0.63 -3.72 0.00 0.00 177.10 174.43 1x5p s ILE 83 N -0.70 3.36 -0.41 -5.21 -1.09 -1.26 0.16 121.20 116.05 1x5p s ILE 83 Ca -0.08 0.22 -0.41 0.00 -2.23 0.00 0.00 60.65 58.15 1x5p s ILE 83 Cb -0.03 -3.93 -0.16 0.00 -1.58 0.00 0.00 42.46 36.75 1x5p s ILE 83 CO 0.04 -0.89 1.99 0.00 -1.23 0.00 0.00 174.94 174.84 1x5p n ALA 84 N 12.63 0.14 -1.80 9.38 0.00 -1.26 -4.89 120.51 134.71 1x5p n ALA 84 Ca 0.20 0.21 -0.34 0.00 0.00 0.00 0.00 53.44 53.52 1x5p n ALA 84 Cb 0.52 -2.22 -0.05 0.00 0.00 0.00 0.00 19.45 17.70 1x5p n ALA 84 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1x5p s ARG 85 N 5.07 4.02 -1.26 0.00 1.70 -1.26 -3.88 118.95 123.33 1x5p s ARG 85 Ca 1.10 1.28 -0.01 0.00 -0.47 0.00 0.00 55.73 57.63 1x5p s ARG 85 Cb -1.22 -2.19 0.00 0.00 -0.57 0.00 0.00 34.95 30.97 1x5p s ARG 85 CO 0.64 -0.23 0.90 1.63 -1.08 0.00 0.00 175.30 177.16 1x5p n LYS 86 N -0.71 -6.04 -3.55 3.89 5.02 -1.26 -4.94 118.16 110.55 1x5p n LYS 86 Ca 0.08 0.75 -0.39 0.00 -2.02 0.00 0.00 58.31 56.73 1x5p n LYS 86 Cb 0.53 -5.60 -0.05 0.00 -0.02 0.00 0.00 35.03 29.89 1x5p n LYS 86 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 1x5p s GLN 87 N -5.71 3.45 1.21 1.97 -2.07 -1.25 -5.07 119.66 112.19 1x5p s GLN 87 Ca 0.07 -3.13 -0.19 0.00 -1.82 0.00 0.00 55.36 50.28 1x5p s GLN 87 Cb -0.03 -4.11 0.29 0.00 -1.09 0.00 0.00 33.01 28.07 1x5p s GLN 87 CO 0.76 -1.25 1.11 -1.25 -1.32 0.00 0.00 175.29 173.34 1x5p s PRO 88 N -1.09 -1.28 -0.77 9.60 0.04 -1.26 -4.78 135.00 135.45 1x5p s PRO 88 Ca 0.26 -0.08 -0.31 0.00 0.04 0.00 0.00 61.00 60.91 1x5p s PRO 88 Cb -0.09 -1.59 -0.17 0.00 0.04 0.00 0.00 34.50 32.69 1x5p s PRO 88 CO -0.10 -3.75 2.54 -1.33 0.04 0.00 0.00 177.00 174.40 1x5p n MET 89 N -4.78 0.39 -0.01 4.56 2.81 -1.26 -4.79 117.12 114.04 1x5p n MET 89 Ca 0.13 0.02 -0.12 0.00 -1.81 0.00 0.00 57.70 55.92 1x5p n MET 89 Cb 0.60 -2.14 -0.10 0.00 -0.71 0.00 0.00 33.22 30.87 1x5p n MET 89 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1x5p h LEU 90 N 14.02 -0.05 -9.16 4.03 6.46 -2.02 -3.43 115.31 125.15 1x5p h LEU 90 Ca -0.13 -0.58 -0.57 0.00 -0.12 0.00 0.00 57.88 56.49 1x5p h LEU 90 Cb 1.31 0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 41.21 1x5p h LEU 90 CO 1.27 0.59 0.86 -0.62 -0.62 0.00 0.00 178.44 179.92 1x5p s ASP 91 N -5.76 6.98 0.15 1.25 2.15 -1.26 -4.98 116.67 115.20 1x5p s ASP 91 Ca -0.16 1.67 -0.25 0.00 0.43 0.00 0.00 52.55 54.25 1x5p s ASP 91 Cb 0.00 -2.54 0.06 0.00 -0.30 0.00 0.00 42.92 40.14 1x5p s ASP 91 CO 0.61 -0.73 0.91 -0.94 -0.17 0.00 0.00 175.17 174.86 1x5p s SER 92 N 1.82 -0.22 0.00 -0.34 1.04 -1.26 -5.19 113.70 109.55 1x5p s SER 92 Ca 0.54 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.59 1x5p s SER 92 Cb -0.21 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.42 1x5p s SER 92 CO 0.15 -0.94 0.00 0.61 0.98 0.00 0.00 173.24 174.04 1x5p n GLY 93 N -0.44 1.79 0.25 7.32 0.00 -1.26 -5.03 105.19 107.81 1x5p n GLY 93 Ca -0.06 -0.51 -0.11 0.00 0.00 0.00 0.00 46.02 45.34 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 0.78 -5.12 1.61 0.13 -2.06 -3.42 132.00 123.91 1x5p h PRO 94 Ca 0.00 -0.41 -0.65 0.00 -0.87 0.00 0.00 66.00 64.07 1x5p h PRO 94 Cb 0.00 0.01 -0.26 0.00 0.13 0.00 0.00 31.00 30.89 1x5p h PRO 94 CO 0.00 1.04 -0.71 0.45 -0.23 0.00 0.00 178.00 178.54 1x5p s SER 95 N -6.85 4.40 -0.30 1.44 0.15 -1.26 -5.09 113.70 106.19 1x5p s SER 95 Ca -0.09 -0.31 -0.17 0.00 0.70 0.00 0.00 55.95 56.07 1x5p s SER 95 Cb 0.12 -1.73 -0.02 0.00 -1.71 0.00 0.00 66.02 62.67 1x5p s SER 95 CO 0.86 0.06 0.47 -0.44 1.20 0.00 0.00 173.24 175.39 1x5p s SER 96 N 1.03 6.33 0.00 5.45 0.01 -1.26 -5.16 113.70 120.09 1x5p s SER 96 Ca 0.00 0.22 0.00 0.00 1.31 0.00 0.00 55.95 57.49 1x5p s SER 96 Cb -0.15 -2.26 0.00 0.00 0.21 0.00 0.00 66.02 63.83 1x5p s SER 96 CO 0.00 -0.34 0.25 0.61 0.41 0.00 0.00 173.24 174.17