#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 2.32 -0.24 1.61 2.88 -1.26 -4.84 113.62 114.09 1x5p n SER 2 Ca 0.00 0.92 -0.11 0.00 -1.33 0.00 0.00 58.87 58.34 1x5p n SER 2 Cb 0.00 -1.16 -0.09 0.00 -0.75 0.00 0.00 64.21 62.20 1x5p n SER 2 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1x5p h SER 3 N 8.48 -1.83 0.00 -3.46 0.87 -2.14 -3.47 113.55 112.00 1x5p h SER 3 Ca -0.41 0.26 0.00 0.00 -1.23 0.00 0.00 61.79 60.41 1x5p h SER 3 Cb 1.32 0.78 0.00 0.00 -0.44 0.00 0.00 62.40 64.06 1x5p h SER 3 CO 0.98 -0.30 0.00 0.61 -0.53 0.00 0.00 176.83 177.59 1x5p n GLY 4 N -1.29 1.14 3.83 5.77 0.00 -1.26 -5.09 105.19 108.29 1x5p n GLY 4 Ca -0.01 -0.60 -0.04 0.00 0.00 0.00 0.00 46.02 45.36 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 -4.00 -0.06 -0.28 1.61 1.04 -1.26 -5.14 113.70 105.61 1x5p s SER 5 Ca 0.00 -0.68 -0.01 0.00 0.48 0.00 0.00 55.95 55.75 1x5p s SER 5 Cb 0.00 0.57 0.09 0.00 0.10 0.00 0.00 66.02 66.78 1x5p s SER 5 CO 0.00 -1.11 0.06 -0.44 0.98 0.00 0.00 173.24 172.73 1x5p s SER 6 N -3.18 3.84 -0.19 7.02 0.01 -1.26 -5.11 113.70 114.84 1x5p s SER 6 Ca 0.17 -1.44 0.00 0.00 1.31 0.00 0.00 55.95 55.99 1x5p s SER 6 Cb -0.03 -0.93 0.01 0.00 0.21 0.00 0.00 66.02 65.29 1x5p s SER 6 CO 0.06 -0.36 -0.17 -0.83 0.41 0.00 0.00 173.24 172.34 1x5p s GLY 7 N 1.57 1.43 -0.05 3.44 0.00 -1.26 -4.98 107.32 107.47 1x5p s GLY 7 Ca 0.05 -1.20 -0.05 0.00 0.00 0.00 0.00 44.72 43.52 1x5p s GLY 7 CO -0.17 0.29 -0.12 1.18 0.00 0.00 0.00 173.10 174.28 1x5p n GLU 8 N 4.62 0.19 -1.76 2.90 -0.58 -1.26 -4.75 120.64 120.00 1x5p n GLU 8 Ca -0.20 0.08 -0.37 0.00 -0.42 0.00 0.00 57.16 56.25 1x5p n GLU 8 Cb 0.50 -0.82 0.05 0.00 -0.57 0.00 0.00 31.44 30.60 1x5p n GLU 8 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1x5p n ARG 9 N -3.57 2.81 -1.97 3.49 3.00 -1.26 -5.02 116.66 114.15 1x5p n ARG 9 Ca -0.13 -3.54 -0.36 0.00 -0.01 0.00 0.00 57.85 53.82 1x5p n ARG 9 Cb 0.45 -2.28 0.04 0.00 0.00 0.00 0.00 32.46 30.67 1x5p n ARG 9 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.63 176.65 1x5p s ARG 10 N -3.94 2.91 0.34 5.56 1.70 -1.26 -5.04 118.95 119.22 1x5p s ARG 10 Ca 0.56 1.80 0.07 0.00 -0.47 0.00 0.00 55.73 57.69 1x5p s ARG 10 Cb 0.46 -1.92 -0.01 0.00 -0.57 0.00 0.00 34.95 32.90 1x5p s ARG 10 CO -0.25 -1.25 0.43 0.00 -1.08 0.00 0.00 175.30 173.16 1x5p s ALA 11 N -1.65 4.16 -2.00 7.88 0.00 -1.26 -4.98 121.76 123.90 1x5p s ALA 11 Ca 0.77 -1.52 0.15 0.00 0.00 0.00 0.00 51.96 51.36 1x5p s ALA 11 Cb -0.30 -1.55 0.89 0.00 0.00 0.00 0.00 23.12 22.16 1x5p s ALA 11 CO 0.34 -0.03 1.31 -0.35 0.00 0.00 0.00 175.76 177.02 1x5p n PRO 12 N -1.58 0.49 -3.66 0.00 -0.04 -1.26 -4.30 135.00 124.65 1x5p n PRO 12 Ca -0.00 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.08 1x5p n PRO 12 Cb 0.59 -1.48 -0.09 0.00 -0.04 0.00 0.00 33.50 32.48 1x5p n PRO 12 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1x5p s ARG 13 N -2.00 2.69 -0.12 0.54 3.00 -1.26 -4.79 118.95 117.01 1x5p s ARG 13 Ca 0.22 -2.47 0.07 0.00 0.00 0.00 0.00 55.73 53.56 1x5p s ARG 13 Cb 0.10 -3.83 -0.13 0.00 0.00 0.00 0.00 34.95 31.09 1x5p s ARG 13 CO 0.17 -1.19 -0.01 0.36 0.00 0.00 0.00 175.30 174.63 1x5p n LYS 14 N 3.64 1.62 -3.42 3.54 -0.00 -1.26 -4.92 118.16 117.36 1x5p n LYS 14 Ca 0.08 0.02 -0.22 0.00 -0.00 0.00 0.00 58.31 58.19 1x5p n LYS 14 Cb 0.39 -1.29 -0.10 0.00 -0.00 0.00 0.00 35.03 34.03 1x5p n LYS 14 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1x5p s GLY 15 N -4.69 0.21 -0.22 2.58 0.00 -1.26 -4.98 107.32 98.96 1x5p s GLY 15 Ca -0.10 -0.99 -0.03 0.00 0.00 0.00 0.00 44.72 43.61 1x5p s GLY 15 CO 0.43 2.46 -0.04 1.16 0.00 0.00 0.00 173.10 177.11 1x5p n ASN 16 N 4.69 2.02 -4.88 1.64 6.94 -1.26 -4.48 115.26 119.93 1x5p n ASN 16 Ca 0.04 0.03 -0.30 0.00 -0.02 0.00 0.00 54.58 54.34 1x5p n ASN 16 Cb 0.43 -0.61 -0.02 0.00 -2.36 0.00 0.00 39.78 37.22 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 -2.52 4.81 -0.05 5.53 2.01 -1.26 -2.07 115.64 122.09 1x5p s THR 17 Ca -0.31 0.53 0.01 0.00 0.31 0.00 0.00 61.69 62.23 1x5p s THR 17 Cb 0.09 -3.77 0.02 0.00 0.01 0.00 0.00 72.50 68.85 1x5p s THR 17 CO 0.64 -0.62 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.16 1x5p s LEU 18 N -4.11 1.23 -0.43 4.42 1.43 0.17 -3.93 118.68 117.46 1x5p s LEU 18 Ca 0.50 -0.11 -0.26 0.00 -1.03 0.00 0.00 54.13 53.23 1x5p s LEU 18 Cb -0.10 -0.42 0.02 0.00 0.03 0.00 0.00 46.19 45.72 1x5p s LEU 18 CO 0.35 -0.07 0.94 -0.47 0.23 0.00 0.00 176.35 177.33 1x5p s TYR 19 N 1.04 2.97 0.05 0.29 6.14 0.56 -1.93 117.35 126.47 1x5p s TYR 19 Ca -0.09 0.55 0.03 0.00 0.64 0.00 0.00 57.07 58.20 1x5p s TYR 19 Cb -0.14 -3.89 -0.04 0.00 0.42 0.00 0.00 41.96 38.32 1x5p s TYR 19 CO -0.01 -1.01 0.00 0.08 0.64 0.00 0.00 175.55 175.25 1x5p s VAL 20 N 3.70 4.08 -0.04 3.14 1.01 0.89 -0.40 120.40 132.78 1x5p s VAL 20 Ca 0.38 -0.81 -0.02 0.00 0.00 0.00 0.00 61.98 61.54 1x5p s VAL 20 Cb -0.11 -2.88 0.03 0.00 0.00 0.00 0.00 36.38 33.42 1x5p s VAL 20 CO 0.24 0.24 0.07 -0.47 0.00 0.00 0.00 175.10 175.18 1x5p s TYR 21 N -1.21 -0.00 0.17 5.22 6.14 0.92 -0.33 117.35 128.27 1x5p s TYR 21 Ca 0.23 0.30 0.03 0.00 0.64 0.00 0.00 57.07 58.27 1x5p s TYR 21 Cb -0.12 -0.36 -0.01 0.00 0.42 0.00 0.00 41.96 41.89 1x5p s TYR 21 CO 0.15 -0.18 0.13 0.41 0.64 0.00 0.00 175.55 176.70 1x5p n GLY 22 N 4.95 3.51 1.35 8.97 0.00 -0.97 -1.44 105.19 121.56 1x5p n GLY 22 Ca -0.11 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.08 1x5p n GLY 22 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x5p n GLU 23 N -0.35 0.00 -2.07 1.61 -0.58 -1.26 -4.59 120.64 113.39 1x5p n GLU 23 Ca 0.02 0.00 -0.32 0.00 -0.42 0.00 0.00 57.16 56.44 1x5p n GLU 23 Cb 0.30 -0.32 0.03 0.00 -0.57 0.00 0.00 31.44 30.88 1x5p n GLU 23 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1x5p n ASP 24 N -3.45 6.15 -4.50 1.62 2.03 -1.26 -5.01 116.55 112.14 1x5p n ASP 24 Ca 0.00 -3.78 -0.26 0.00 0.52 0.00 0.00 54.79 51.27 1x5p n ASP 24 Cb 0.00 -0.73 -0.10 0.00 -0.72 0.00 0.00 41.12 39.56 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 -3.78 1.80 0.14 -0.67 0.23 -1.26 -4.94 119.30 110.81 1x5p s MET 25 Ca 0.52 -1.46 0.08 0.00 -1.03 0.00 0.00 55.69 53.80 1x5p s MET 25 Cb 0.43 -1.97 -0.04 0.00 -1.53 0.00 0.00 34.83 31.72 1x5p s MET 25 CO -0.22 0.40 -0.17 0.95 -2.03 0.00 0.00 175.02 173.94 1x5p s THR 26 N -1.85 1.64 0.12 3.16 -4.23 -1.26 -5.06 115.64 108.17 1x5p s THR 26 Ca 0.24 -1.77 -0.33 0.00 -1.18 0.00 0.00 61.69 58.65 1x5p s THR 26 Cb -0.08 -1.68 -0.12 0.00 1.34 0.00 0.00 72.50 71.97 1x5p s THR 26 CO 0.13 -0.29 1.55 -0.65 -0.54 0.00 0.00 174.62 174.82 1x5p h PRO 27 N 3.51 -0.51 -1.20 3.99 0.11 -1.99 0.07 132.00 135.98 1x5p h PRO 27 Ca -0.42 0.04 0.35 0.00 0.11 0.00 0.00 66.00 66.07 1x5p h PRO 27 Cb 1.20 0.12 -0.10 0.00 0.11 0.00 0.00 31.00 32.32 1x5p h PRO 27 CO 0.48 -0.34 0.79 1.15 -0.21 0.00 0.00 178.00 179.87 1x5p h THR 28 N -0.53 0.34 -0.03 -1.15 2.02 -2.00 0.20 112.91 111.75 1x5p h THR 28 Ca 0.05 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 1x5p h THR 28 Cb 0.66 0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 67.18 1x5p h THR 28 CO -0.48 0.04 -0.00 0.25 0.37 0.00 0.00 175.52 175.70 1x5p h LEU 29 N 0.21 0.05 -1.89 2.58 6.46 -1.42 -2.93 115.31 118.37 1x5p h LEU 29 Ca 0.69 -0.34 0.05 0.00 -0.12 0.00 0.00 57.88 58.16 1x5p h LEU 29 Cb 2.10 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 42.00 1x5p h LEU 29 CO -0.29 0.38 0.19 -0.07 -0.62 0.00 0.00 178.44 178.02 1x5p h LEU 30 N -0.28 0.12 -0.88 2.25 3.38 -0.09 -0.92 115.31 118.88 1x5p h LEU 30 Ca 0.01 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.01 1x5p h LEU 30 Cb 0.35 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 1x5p h LEU 30 CO 0.00 0.08 0.57 0.03 0.09 0.00 0.00 178.44 179.22 1x5p h ARG 31 N 0.14 1.09 -0.00 1.13 3.08 -1.12 0.38 114.38 119.08 1x5p h ARG 31 Ca 0.12 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1x5p h ARG 31 Cb 0.30 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1x5p h ARG 31 CO -0.02 0.72 -0.51 0.41 -1.07 0.00 0.00 179.97 179.50 1x5p n GLY 32 N -1.34 -1.19 0.10 0.04 0.00 -0.60 -2.23 105.19 99.97 1x5p n GLY 32 Ca 0.11 -0.37 -0.11 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.44 1.41 -0.00 4.61 0.00 -0.45 -4.32 120.51 120.32 1x5p n ALA 33 Ca 0.06 -0.90 0.04 0.00 0.00 0.00 0.00 53.44 52.64 1x5p n ALA 33 Cb 0.34 -0.62 -0.12 0.00 0.00 0.00 0.00 19.45 19.04 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 -3.05 0.36 -0.18 0.00 3.01 0.13 -4.33 117.46 113.40 1x5p n PHE 34 Ca -0.24 0.11 -0.03 0.00 1.01 0.00 0.00 57.45 58.30 1x5p n PHE 34 Cb 1.07 -0.80 0.07 0.00 -0.01 0.00 0.00 39.48 39.82 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 0.26 -1.05 4.37 0.87 -1.58 -1.84 113.55 114.59 1x5p h SER 35 Ca -0.15 0.05 0.28 0.00 -1.23 0.00 0.00 61.79 60.74 1x5p h SER 35 Cb 1.39 0.02 -0.11 0.00 -0.44 0.00 0.00 62.40 63.26 1x5p h SER 35 CO 0.02 0.18 0.66 -0.65 -0.53 0.00 0.00 176.83 176.50 1x5p h PRO 36 N 0.43 0.40 -0.00 2.24 0.11 -1.75 0.15 132.00 133.57 1x5p h PRO 36 Ca 0.26 -0.02 -0.24 0.00 0.11 0.00 0.00 66.00 66.10 1x5p h PRO 36 Cb 0.25 -0.09 0.01 0.00 0.11 0.00 0.00 31.00 31.28 1x5p h PRO 36 CO -0.23 0.27 -0.98 0.74 -0.21 0.00 0.00 178.00 177.59 1x5p h PHE 37 N 0.41 0.79 -0.47 0.65 -1.00 -1.60 -3.49 116.94 112.23 1x5p h PHE 37 Ca 0.64 -0.43 0.00 0.00 2.81 0.00 0.00 57.97 60.99 1x5p h PHE 37 Cb 1.53 -0.09 0.00 0.00 3.61 0.00 0.00 35.95 41.00 1x5p h PHE 37 CO -0.00 1.25 0.00 0.41 -1.61 0.00 0.00 178.31 178.36 1x5p n GLY 38 N 0.99 1.00 3.66 -1.45 0.00 0.52 -4.86 105.19 105.05 1x5p n GLY 38 Ca -0.08 -0.68 -0.38 0.00 0.00 0.00 0.00 46.02 44.87 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 1.13 6.43 -0.36 1.61 2.47 -1.26 -3.99 114.94 120.96 1x5p s ASN 39 Ca 0.00 0.50 -0.25 0.00 0.42 0.00 0.00 52.86 53.53 1x5p s ASN 39 Cb 0.00 -2.23 0.01 0.00 -1.45 0.00 0.00 41.25 37.58 1x5p s ASN 39 CO 0.00 -0.09 0.90 -0.63 -3.72 0.00 0.00 177.10 173.56 1x5p s ILE 40 N 1.39 4.62 -0.05 -5.21 1.01 -1.26 -2.63 121.20 119.07 1x5p s ILE 40 Ca 0.19 1.18 0.20 0.00 0.00 0.00 0.00 60.65 62.22 1x5p s ILE 40 Cb -0.15 -4.30 -0.30 0.00 0.01 0.00 0.00 42.46 37.72 1x5p s ILE 40 CO 0.08 -0.49 0.40 2.30 0.00 0.00 0.00 174.94 177.23 1x5p n ILE 41 N 5.90 0.16 -3.48 2.92 -5.35 -1.00 -4.87 119.36 113.64 1x5p n ILE 41 Ca 0.06 -0.50 -0.19 0.00 -0.27 0.00 0.00 62.75 61.85 1x5p n ILE 41 Cb 0.48 -0.03 -0.12 0.00 -1.74 0.00 0.00 39.64 38.23 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 -4.44 1.72 -0.22 7.28 -1.08 -1.25 -4.99 116.67 113.69 1x5p s ASP 42 Ca -0.08 -0.49 -0.00 0.00 -0.52 0.00 0.00 52.55 51.46 1x5p s ASP 42 Cb 0.12 0.32 0.06 0.00 -1.46 0.00 0.00 42.92 41.96 1x5p s ASP 42 CO 0.83 -0.36 -0.03 -0.22 0.52 0.00 0.00 175.17 175.92 1x5p s LEU 43 N 2.31 2.20 -0.06 -1.34 2.96 -1.26 0.64 118.68 124.13 1x5p s LEU 43 Ca 0.08 -1.09 0.05 0.00 -0.22 0.00 0.00 54.13 52.95 1x5p s LEU 43 Cb -0.15 -1.02 -0.02 0.00 0.50 0.00 0.00 46.19 45.50 1x5p s LEU 43 CO -0.20 -0.26 -0.22 -0.44 -1.32 0.00 0.00 176.35 173.91 1x5p s SER 44 N 1.52 3.38 -0.07 3.68 0.01 -1.04 -4.98 113.70 116.20 1x5p s SER 44 Ca -0.04 -0.42 0.04 0.00 1.31 0.00 0.00 55.95 56.84 1x5p s SER 44 Cb -0.18 -0.85 0.00 0.00 0.21 0.00 0.00 66.02 65.20 1x5p s SER 44 CO -0.07 0.27 -0.19 -0.04 0.41 0.00 0.00 173.24 173.62 1x5p s MET 45 N -0.30 2.29 -0.39 12.44 -1.94 -1.26 -0.95 119.30 129.18 1x5p s MET 45 Ca 0.01 -0.68 0.02 0.00 -1.71 0.00 0.00 55.69 53.33 1x5p s MET 45 Cb -0.13 -1.84 0.11 0.00 2.01 0.00 0.00 34.83 34.99 1x5p s MET 45 CO 0.02 0.17 0.15 -0.51 -0.01 0.00 0.00 175.02 174.85 1x5p s ASP 46 N 0.30 4.24 0.28 3.03 1.11 -0.14 -4.99 116.67 120.51 1x5p s ASP 46 Ca -0.12 -2.32 0.02 0.00 0.18 0.00 0.00 52.55 50.31 1x5p s ASP 46 Cb -0.15 -1.31 0.68 0.00 1.07 0.00 0.00 42.92 43.20 1x5p s ASP 46 CO 0.05 -0.33 1.69 -0.65 1.18 0.00 0.00 175.17 177.11 1x5p h PRO 47 N 7.29 0.35 -0.12 8.23 0.11 -1.96 -0.29 132.00 145.61 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 0.54 0.23 -0.34 -1.35 -0.21 0.00 0.00 178.00 176.86 1x5p h PRO 48 N 0.36 -0.33 -0.04 1.05 0.11 -1.94 -0.01 132.00 131.21 1x5p h PRO 48 Ca 0.54 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.67 1x5p h PRO 48 Cb 1.01 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 0.00 0.54 -0.21 0.00 0.00 178.00 177.57 1x5p n ARG 49 N -4.37 1.13 -4.18 1.05 5.12 -1.01 -4.89 116.66 109.51 1x5p n ARG 49 Ca -0.03 -0.20 -0.30 0.00 -1.93 0.00 0.00 57.85 55.38 1x5p n ARG 49 Cb 0.23 -1.22 -0.06 0.00 -1.16 0.00 0.00 32.46 30.26 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 -0.50 -0.16 -3.74 0.55 3.02 -0.02 -4.93 115.26 109.49 1x5p n ASN 50 Ca 0.10 -1.14 -0.13 0.00 -0.03 0.00 0.00 54.58 53.38 1x5p n ASN 50 Cb 0.09 -2.30 -0.07 0.00 -0.61 0.00 0.00 39.78 36.89 1x5p n ASN 50 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1x5p s ALA 52 N -3.68 -0.56 -0.28 0.00 0.00 0.55 -0.96 121.76 116.82 1x5p s ALA 52 Ca 0.32 -0.60 -0.02 0.00 0.00 0.00 0.00 51.96 51.66 1x5p s ALA 52 Cb 0.02 0.95 0.09 0.00 0.00 0.00 0.00 23.12 24.18 1x5p s ALA 52 CO 0.16 -0.84 0.10 -0.06 0.00 0.00 0.00 175.76 175.11 1x5p s PHE 53 N -3.96 1.17 -0.16 0.00 0.08 -0.13 -0.07 117.98 114.92 1x5p s PHE 53 Ca 0.16 -1.32 -0.14 0.00 0.12 0.00 0.00 56.93 55.75 1x5p s PHE 53 Cb -0.01 -1.35 -0.05 0.00 -0.57 0.00 0.00 43.02 41.04 1x5p s PHE 53 CO 0.04 -0.81 0.30 0.08 -0.10 0.00 0.00 175.22 174.72 1x5p s VAL 54 N 1.80 5.30 -0.07 -0.44 1.01 -0.81 -2.50 120.40 124.70 1x5p s VAL 54 Ca 0.08 0.56 0.01 0.00 0.00 0.00 0.00 61.98 62.62 1x5p s VAL 54 Cb -0.17 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 1x5p s VAL 54 CO -0.26 0.39 -0.06 -0.89 0.00 0.00 0.00 175.10 174.28 1x5p s THR 55 N 0.42 3.74 -0.05 3.92 2.01 0.21 -0.66 115.64 125.23 1x5p s THR 55 Ca 0.17 -0.46 0.01 0.00 0.31 0.00 0.00 61.69 61.71 1x5p s THR 55 Cb -0.13 -2.53 -0.03 0.00 0.01 0.00 0.00 72.50 69.81 1x5p s THR 55 CO 0.04 0.59 -0.03 -0.31 -0.69 0.00 0.00 174.62 174.22 1x5p s TYR 56 N -0.76 3.02 0.46 4.92 2.02 -0.88 -2.38 117.35 123.76 1x5p s TYR 56 Ca 0.12 0.07 0.14 0.00 -0.37 0.00 0.00 57.07 57.03 1x5p s TYR 56 Cb -0.11 -1.71 1.09 0.00 -0.40 0.00 0.00 41.96 40.83 1x5p s TYR 56 CO 0.02 0.41 2.05 1.49 -1.57 0.00 0.00 175.55 177.94 1x5p h GLU 57 N 4.90 0.28 -4.64 -0.62 4.57 -1.85 -3.39 114.58 113.83 1x5p h GLU 57 Ca -0.49 -0.02 -0.59 0.00 -1.18 0.00 0.00 59.36 57.08 1x5p h GLU 57 Cb 1.18 -0.06 -0.36 0.00 -0.16 0.00 0.00 28.75 29.35 1x5p h GLU 57 CO 0.54 0.18 -0.83 0.15 -1.18 0.00 0.00 179.01 177.88 1x5p s LYS 58 N -5.29 2.20 0.41 1.92 1.02 -1.26 -5.00 119.74 113.74 1x5p s LYS 58 Ca -0.07 -0.53 0.25 0.00 0.02 0.00 0.00 55.97 55.65 1x5p s LYS 58 Cb 0.18 -1.99 1.30 0.00 -0.52 0.00 0.00 37.83 36.80 1x5p s LYS 58 CO 0.72 -0.19 1.66 0.00 -0.92 0.00 0.00 175.35 176.62 1x5p h MET 59 N 7.90 0.18 -1.66 1.68 -0.00 -1.80 0.19 114.93 121.42 1x5p h MET 59 Ca -0.36 -0.01 0.51 0.00 -0.00 0.00 0.00 59.70 59.85 1x5p h MET 59 Cb 1.15 -0.04 -0.10 0.00 -0.00 0.00 0.00 31.60 32.60 1x5p h MET 59 CO 0.51 0.12 1.15 0.39 -0.00 0.00 0.00 176.91 179.07 1x5p n GLU 60 N -4.74 -0.02 -0.01 -0.10 1.02 -1.26 0.12 120.64 115.64 1x5p n GLU 60 Ca 0.34 1.12 -0.16 0.00 -0.02 0.00 0.00 57.16 58.43 1x5p n GLU 60 Cb 1.23 -2.40 -0.13 0.00 -0.02 0.00 0.00 31.44 30.12 1x5p n GLU 60 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1x5p h SER 61 N 0.00 0.24 -0.80 1.62 0.02 -0.94 -3.13 113.55 110.57 1x5p h SER 61 Ca 0.88 -0.90 0.10 0.00 -0.84 0.00 0.00 61.79 61.03 1x5p h SER 61 Cb 3.26 -0.08 -0.11 0.00 0.14 0.00 0.00 62.40 65.61 1x5p h SER 61 CO -0.20 1.12 -0.39 0.00 -1.14 0.00 0.00 176.83 176.22 1x5p n ALA 62 N -2.60 -0.30 -0.10 3.77 0.00 0.32 0.40 120.51 121.99 1x5p n ALA 62 Ca -0.11 0.74 -0.11 0.00 0.00 0.00 0.00 53.44 53.96 1x5p n ALA 62 Cb 0.60 -0.24 -0.03 0.00 0.00 0.00 0.00 19.45 19.78 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 0.49 0.15 0.00 1.82 -1.67 -2.30 116.42 114.90 1x5p h ASP 63 Ca 0.20 -0.27 -0.00 0.00 -0.39 0.00 0.00 57.03 56.57 1x5p h ASP 63 Cb 0.40 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 40.28 1x5p h ASP 63 CO -0.77 0.63 -0.19 1.56 -1.61 0.00 0.00 179.24 178.86 1x5p h GLN 64 N 0.32 -0.34 -0.33 0.28 4.20 0.01 0.15 115.11 119.41 1x5p h GLN 64 Ca 0.09 0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.87 1x5p h GLN 64 Cb 0.36 0.08 -0.08 0.00 0.30 0.00 0.00 27.48 28.14 1x5p h GLN 64 CO 0.01 -0.22 -0.50 0.00 -0.67 0.00 0.00 178.83 177.44 1x5p h ALA 65 N -1.38 -0.67 -0.01 3.87 0.00 -0.33 0.63 119.26 121.36 1x5p h ALA 65 Ca -0.02 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1x5p h ALA 65 Cb 0.31 1.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 1x5p h ALA 65 CO -0.04 -0.99 0.31 0.28 0.00 0.00 0.00 179.25 178.81 1x5p h VAL 66 N -0.42 0.01 0.15 0.00 2.07 -1.34 1.67 116.25 118.40 1x5p h VAL 66 Ca 0.09 0.00 -0.34 0.00 0.82 0.00 0.00 66.70 67.27 1x5p h VAL 66 Cb 0.62 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1x5p h VAL 66 CO -0.54 0.00 -1.70 0.00 0.02 0.00 0.00 177.57 175.35 1x5p h ALA 67 N 1.39 0.24 0.00 1.67 0.00 0.23 -3.28 119.26 119.51 1x5p h ALA 67 Ca 0.01 -1.17 -0.06 0.00 0.00 0.00 0.00 54.91 53.68 1x5p h ALA 67 Cb 0.62 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1x5p h ALA 67 CO -0.00 1.11 -1.11 0.39 0.00 0.00 0.00 179.25 179.64 1x5p n GLU 68 N -3.52 0.52 0.29 0.00 -0.58 0.30 -4.36 120.64 113.31 1x5p n GLU 68 Ca -0.22 0.29 0.16 0.00 -0.42 0.00 0.00 57.16 56.96 1x5p n GLU 68 Cb 1.06 -1.50 0.78 0.00 -0.57 0.00 0.00 31.44 31.21 1x5p n GLU 68 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1x5p h LEU 69 N -1.00 0.00 -9.27 -4.62 3.38 0.21 -3.36 115.31 100.66 1x5p h LEU 69 Ca -0.10 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.33 1x5p h LEU 69 Cb 1.00 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.76 1x5p h LEU 69 CO -0.06 0.00 1.25 0.21 0.09 0.00 0.00 178.44 179.93 1x5p s ASN 70 N -4.52 6.32 -2.09 -0.43 3.84 -1.17 -1.61 114.94 115.26 1x5p s ASN 70 Ca -0.03 2.43 0.00 0.00 0.21 0.00 0.00 52.86 55.47 1x5p s ASN 70 Cb 0.10 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 38.27 1x5p s ASN 70 CO 0.31 -1.19 0.00 0.61 -2.79 0.00 0.00 177.10 174.04 1x5p n GLY 71 N 4.69 1.51 3.88 1.21 0.00 -0.98 -4.94 105.19 110.55 1x5p n GLY 71 Ca 0.21 -0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.81 4.78 -0.39 2.61 -1.32 -0.63 -4.86 115.64 113.02 1x5p s THR 72 Ca 0.00 0.59 0.04 0.00 -1.21 0.00 0.00 61.69 61.11 1x5p s THR 72 Cb 0.00 -3.80 0.11 0.00 -1.51 0.00 0.00 72.50 67.30 1x5p s THR 72 CO 0.00 -0.77 0.11 -1.58 -2.21 0.00 0.00 174.62 170.17 1x5p s GLN 73 N -4.43 1.63 0.00 7.08 0.74 -1.26 -0.68 119.66 122.74 1x5p s GLN 73 Ca 0.51 -2.07 0.04 0.00 0.05 0.00 0.00 55.36 53.89 1x5p s GLN 73 Cb -0.10 -3.25 -0.03 0.00 1.10 0.00 0.00 33.01 30.72 1x5p s GLN 73 CO 0.40 -0.99 -0.09 0.14 -0.55 0.00 0.00 175.29 174.20 1x5p s VAL 74 N 0.59 3.46 -1.30 1.34 -7.23 -0.14 -4.54 120.40 112.58 1x5p s VAL 74 Ca 0.12 -0.82 0.00 0.00 -1.81 0.00 0.00 61.98 59.47 1x5p s VAL 74 Cb -0.21 -2.48 0.00 0.00 0.56 0.00 0.00 36.38 34.25 1x5p s VAL 74 CO -0.06 0.41 0.00 -0.62 -0.31 0.00 0.00 175.10 174.53 1x5p n GLU 75 N 1.66 -1.85 -2.18 4.82 -0.58 -1.26 0.23 120.64 121.48 1x5p n GLU 75 Ca -0.16 0.73 -0.08 0.00 -0.42 0.00 0.00 57.16 57.24 1x5p n GLU 75 Cb 0.52 -5.23 -0.00 0.00 -0.57 0.00 0.00 31.44 26.16 1x5p n GLU 75 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1x5p n SER 76 N -1.44 -2.80 -3.79 1.62 2.88 -1.26 -5.03 113.62 103.80 1x5p n SER 76 Ca -0.16 -0.02 -0.18 0.00 -1.33 0.00 0.00 58.87 57.19 1x5p n SER 76 Cb 0.57 -2.09 -0.17 0.00 -0.75 0.00 0.00 64.21 61.78 1x5p n SER 76 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1x5p s VAL 77 N -2.41 0.12 -0.58 2.46 1.01 0.14 -5.06 120.40 116.08 1x5p s VAL 77 Ca 0.01 0.16 -0.27 0.00 0.00 0.00 0.00 61.98 61.87 1x5p s VAL 77 Cb -0.00 -0.25 0.03 0.00 0.00 0.00 0.00 36.38 36.16 1x5p s VAL 77 CO 0.01 0.15 1.15 -1.10 0.00 0.00 0.00 175.10 175.31 1x5p s GLN 78 N 1.28 3.48 -0.07 2.72 -0.21 -1.26 -0.97 119.66 124.63 1x5p s GLN 78 Ca -0.06 0.15 -0.12 0.00 0.02 0.00 0.00 55.36 55.34 1x5p s GLN 78 Cb -0.13 -4.02 -0.05 0.00 1.00 0.00 0.00 33.01 29.81 1x5p s GLN 78 CO -0.02 -1.66 0.31 -0.51 -2.12 0.00 0.00 175.29 171.29 1x5p s LEU 79 N 4.79 4.40 -0.30 2.90 1.43 0.14 -4.69 118.68 127.35 1x5p s LEU 79 Ca 0.41 0.73 -0.01 0.00 -1.03 0.00 0.00 54.13 54.23 1x5p s LEU 79 Cb -0.08 -2.40 0.06 0.00 0.03 0.00 0.00 46.19 43.79 1x5p s LEU 79 CO 0.24 0.30 -0.00 -0.54 0.23 0.00 0.00 176.35 176.57 1x5p s LYS 80 N -0.72 2.32 -0.00 1.70 3.01 -0.52 -2.33 119.74 123.20 1x5p s LYS 80 Ca 0.20 -1.35 0.03 0.00 -1.01 0.00 0.00 55.97 53.84 1x5p s LYS 80 Cb -0.15 -3.16 -0.03 0.00 -1.01 0.00 0.00 37.83 33.48 1x5p s LYS 80 CO 0.09 -0.66 -0.06 0.08 0.51 0.00 0.00 175.35 175.31 1x5p s VAL 81 N 1.20 3.71 0.05 3.17 1.01 -1.26 -0.05 120.40 128.23 1x5p s VAL 81 Ca -0.04 -0.74 -0.13 0.00 0.00 0.00 0.00 61.98 61.07 1x5p s VAL 81 Cb -0.20 -2.61 0.02 0.00 0.00 0.00 0.00 36.38 33.58 1x5p s VAL 81 CO -0.02 0.40 0.28 0.21 0.00 0.00 0.00 175.10 175.97 1x5p s ASN 82 N -1.41 -0.08 -0.74 3.32 3.84 0.46 -4.53 114.94 115.81 1x5p s ASN 82 Ca 0.17 -0.28 -0.26 0.00 0.21 0.00 0.00 52.86 52.71 1x5p s ASN 82 Cb -0.11 0.35 -0.03 0.00 -0.55 0.00 0.00 41.25 40.91 1x5p s ASN 82 CO 0.08 -0.63 1.85 -0.63 -2.79 0.00 0.00 177.10 174.97 1x5p s ILE 83 N -2.76 3.43 -0.08 -5.21 -1.09 -1.26 -0.33 121.20 113.90 1x5p s ILE 83 Ca -0.03 -0.04 -0.38 0.00 -2.23 0.00 0.00 60.65 57.97 1x5p s ILE 83 Cb -0.00 -4.06 -0.16 0.00 -1.58 0.00 0.00 42.46 36.66 1x5p s ILE 83 CO -0.05 -1.01 1.57 0.00 -1.23 0.00 0.00 174.94 174.22 1x5p n ALA 84 N 12.89 -0.39 0.13 9.38 0.00 -1.25 -4.89 120.51 136.37 1x5p n ALA 84 Ca 0.27 0.44 -0.11 0.00 0.00 0.00 0.00 53.44 54.04 1x5p n ALA 84 Cb 0.50 -2.18 -0.07 0.00 0.00 0.00 0.00 19.45 17.70 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 6.11 -0.37 -5.79 0.00 2.43 -1.94 -3.39 114.38 111.42 1x5p h ARG 85 Ca -0.47 0.03 -0.62 0.00 -0.81 0.00 0.00 59.98 58.11 1x5p h ARG 85 Cb 1.32 0.09 -0.12 0.00 -0.42 0.00 0.00 29.97 30.83 1x5p h ARG 85 CO 0.88 -0.04 1.18 0.15 -1.51 0.00 0.00 179.97 180.62 1x5p s LYS 86 N -3.74 3.50 -0.91 0.20 -0.14 -1.26 -4.93 119.74 112.46 1x5p s LYS 86 Ca -0.12 -1.16 -0.04 0.00 -1.36 0.00 0.00 55.97 53.29 1x5p s LYS 86 Cb 0.01 -4.99 0.23 0.00 -1.68 0.00 0.00 37.83 31.39 1x5p s LYS 86 CO 0.42 -2.05 0.82 -0.65 -0.76 0.00 0.00 175.35 173.13 1x5p s GLN 87 N 4.38 3.43 1.22 1.68 -0.21 -1.26 -5.07 119.66 123.82 1x5p s GLN 87 Ca 0.39 -3.13 -0.20 0.00 0.02 0.00 0.00 55.36 52.44 1x5p s GLN 87 Cb -0.04 -4.10 0.29 0.00 1.00 0.00 0.00 33.01 30.17 1x5p s GLN 87 CO -0.05 -1.25 1.11 -1.25 -2.12 0.00 0.00 175.29 171.73 1x5p s PRO 88 N -1.09 -1.34 0.27 2.91 0.04 -1.26 -4.98 135.00 129.55 1x5p s PRO 88 Ca 0.26 -0.11 -0.29 0.00 0.04 0.00 0.00 61.00 60.90 1x5p s PRO 88 Cb -0.09 -1.59 -0.10 0.00 0.04 0.00 0.00 34.50 32.76 1x5p s PRO 88 CO -0.10 -3.78 1.22 -1.64 0.04 0.00 0.00 177.00 172.73 1x5p s MET 89 N -5.44 4.48 -0.05 4.56 -1.94 -1.26 -4.94 119.30 114.71 1x5p s MET 89 Ca 0.71 2.00 -0.01 0.00 -1.71 0.00 0.00 55.69 56.68 1x5p s MET 89 Cb -0.09 -3.15 -0.03 0.00 2.01 0.00 0.00 34.83 33.57 1x5p s MET 89 CO 0.56 -0.04 -0.05 1.28 -0.01 0.00 0.00 175.02 176.76 1x5p n LEU 90 N 1.43 1.65 -3.90 -0.03 4.77 -1.26 -4.94 117.00 114.73 1x5p n LEU 90 Ca 0.01 0.02 -0.30 0.00 -0.03 0.00 0.00 56.01 55.71 1x5p n LEU 90 Cb 0.43 -0.15 -0.14 0.00 -2.33 0.00 0.00 43.42 41.23 1x5p n LEU 90 CO 0.57 0.34 -0.26 1.51 -1.33 0.00 0.00 177.39 178.21 1x5p s ASP 91 N -4.95 4.29 -0.51 -1.43 -4.77 -1.26 -5.06 116.67 102.98 1x5p s ASP 91 Ca -0.06 -2.48 -0.26 0.00 -3.30 0.00 0.00 52.55 46.44 1x5p s ASP 91 Cb 0.02 -1.41 -0.05 0.00 -1.09 0.00 0.00 42.92 40.39 1x5p s ASP 91 CO 0.09 -0.31 2.19 -0.44 0.70 0.00 0.00 175.17 177.41 1x5p s SER 92 N 0.47 4.82 -0.65 2.11 0.01 -1.26 -4.78 113.70 114.42 1x5p s SER 92 Ca 0.14 0.89 -0.15 0.00 1.31 0.00 0.00 55.95 58.14 1x5p s SER 92 Cb -0.22 -2.51 -0.17 0.00 0.21 0.00 0.00 66.02 63.32 1x5p s SER 92 CO -0.06 -2.63 1.64 0.61 0.41 0.00 0.00 173.24 173.21 1x5p n GLY 93 N 5.87 -0.32 3.60 3.44 0.00 -1.26 -4.75 105.19 111.77 1x5p n GLY 93 Ca 0.30 0.49 -0.43 0.00 0.00 0.00 0.00 46.02 46.39 1x5p n GLY 93 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5p s PRO 94 N 5.42 3.38 -0.11 1.61 0.04 -1.26 -4.99 135.00 139.08 1x5p s PRO 94 Ca 0.88 1.29 -0.02 0.00 0.04 0.00 0.00 61.00 63.19 1x5p s PRO 94 Cb -0.73 -4.16 -0.03 0.00 0.04 0.00 0.00 34.50 29.62 1x5p s PRO 94 CO 0.34 -1.80 -0.05 -1.54 0.04 0.00 0.00 177.00 173.99 1x5p s SER 95 N 5.59 4.78 0.64 6.66 1.04 -1.26 -5.12 113.70 126.03 1x5p s SER 95 Ca 0.75 -0.06 -0.06 0.00 0.48 0.00 0.00 55.95 57.06 1x5p s SER 95 Cb -0.20 -1.52 0.03 0.00 0.10 0.00 0.00 66.02 64.43 1x5p s SER 95 CO 0.33 0.27 0.95 -0.55 0.98 0.00 0.00 173.24 175.21 1x5p s SER 96 N -0.22 5.26 0.00 7.02 0.15 -1.26 -5.30 113.70 119.34 1x5p s SER 96 Ca 0.04 0.59 0.21 0.00 0.70 0.00 0.00 55.95 57.49 1x5p s SER 96 Cb -0.13 -1.43 1.27 0.00 -1.71 0.00 0.00 66.02 64.02 1x5p s SER 96 CO 0.02 -1.29 1.65 0.61 1.20 0.00 0.00 173.24 175.43