#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5p s SER 2 N 0.00 -0.63 0.09 1.61 0.15 -1.26 -5.17 113.70 108.48 1x5p s SER 2 Ca 0.00 1.07 -0.00 0.00 0.70 0.00 0.00 55.95 57.71 1x5p s SER 2 Cb 0.00 0.95 -0.04 0.00 -1.71 0.00 0.00 66.02 65.22 1x5p s SER 2 CO 0.00 -0.20 -0.01 -0.94 1.20 0.00 0.00 173.24 173.28 1x5p s SER 3 N 1.40 0.60 0.00 5.45 1.04 -1.26 -5.15 113.70 115.78 1x5p s SER 3 Ca -0.09 -1.06 0.00 0.00 0.48 0.00 0.00 55.95 55.27 1x5p s SER 3 Cb -0.07 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.25 1x5p s SER 3 CO -0.14 -0.61 0.00 0.61 0.98 0.00 0.00 173.24 174.08 1x5p n GLY 4 N 0.01 4.73 3.40 7.32 0.00 -1.26 -5.17 105.19 114.23 1x5p n GLY 4 Ca -0.11 -1.13 -0.21 0.00 0.00 0.00 0.00 46.02 44.57 1x5p n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x5p s SER 5 N 0.00 1.98 -0.13 1.61 0.15 -1.26 -5.08 113.70 110.98 1x5p s SER 5 Ca 0.00 -1.52 -0.27 0.00 0.70 0.00 0.00 55.95 54.86 1x5p s SER 5 Cb 0.00 0.27 -0.24 0.00 -1.71 0.00 0.00 66.02 64.34 1x5p s SER 5 CO 0.00 -0.81 0.78 0.28 1.20 0.00 0.00 173.24 174.69 1x5p h SER 6 N 2.11 -0.00 0.00 5.45 0.02 -2.09 -3.48 113.55 115.55 1x5p h SER 6 Ca -0.36 -0.90 0.00 0.00 -0.84 0.00 0.00 61.79 59.68 1x5p h SER 6 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 1x5p h SER 6 CO 0.59 0.93 0.00 0.61 -1.14 0.00 0.00 176.83 177.81 1x5p n GLY 7 N 1.49 -0.08 3.53 -3.77 0.00 -1.26 -5.09 105.19 100.00 1x5p n GLY 7 Ca -0.09 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 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 3.28 -0.11 1.61 -1.05 -1.26 -4.85 118.70 116.32 1x5p s GLU 8 Ca 0.00 -0.61 -0.04 0.00 -0.15 0.00 0.00 54.97 54.16 1x5p s GLU 8 Cb 0.00 -4.48 -0.01 0.00 -0.44 0.00 0.00 34.13 29.20 1x5p s GLU 8 CO 0.00 -2.08 -0.08 -0.09 0.95 0.00 0.00 175.26 173.96 1x5p h ARG 9 N 9.84 0.00 -3.89 -4.83 1.12 -2.06 -3.47 114.38 111.09 1x5p h ARG 9 Ca -0.16 0.00 -0.45 0.00 -1.11 0.00 0.00 59.98 58.26 1x5p h ARG 9 Cb 1.04 0.00 -0.37 0.00 -0.01 0.00 0.00 29.97 30.63 1x5p h ARG 9 CO 1.29 0.00 -0.78 0.50 -3.11 0.00 0.00 179.97 177.87 1x5p s ARG 10 N -1.83 0.85 0.01 0.20 6.06 -1.26 -5.14 118.95 117.85 1x5p s ARG 10 Ca -0.07 -0.02 0.01 0.00 -2.50 0.00 0.00 55.73 53.15 1x5p s ARG 10 Cb 0.01 -1.07 -0.01 0.00 0.06 0.00 0.00 34.95 33.94 1x5p s ARG 10 CO 0.10 -0.24 -0.03 0.00 -2.50 0.00 0.00 175.30 172.63 1x5p s ALA 11 N 1.68 0.19 0.87 6.12 0.00 -1.26 -5.16 121.76 124.19 1x5p s ALA 11 Ca 0.01 -0.31 -0.11 0.00 0.00 0.00 0.00 51.96 51.55 1x5p s ALA 11 Cb -0.13 0.03 0.11 0.00 0.00 0.00 0.00 23.12 23.14 1x5p s ALA 11 CO -0.05 -0.03 1.09 -1.25 0.00 0.00 0.00 175.76 175.52 1x5p s PRO 12 N -0.66 1.46 -0.06 0.00 0.04 -1.26 -5.04 135.00 129.47 1x5p s PRO 12 Ca -0.06 0.89 -0.07 0.00 0.04 0.00 0.00 61.00 61.81 1x5p s PRO 12 Cb -0.05 -1.83 -0.02 0.00 0.04 0.00 0.00 34.50 32.64 1x5p s PRO 12 CO -0.00 -2.12 -0.13 0.54 0.04 0.00 0.00 177.00 175.32 1x5p n ARG 13 N -3.81 0.20 -1.34 4.56 1.74 -1.26 -4.95 116.66 111.79 1x5p n ARG 13 Ca 0.07 0.08 -0.47 0.00 -0.77 0.00 0.00 57.85 56.77 1x5p n ARG 13 Cb 0.55 -0.82 -0.03 0.00 -1.02 0.00 0.00 32.46 31.13 1x5p n ARG 13 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1x5p n LYS 14 N -3.28 0.00 0.00 5.56 4.81 -1.26 -4.77 118.16 119.22 1x5p n LYS 14 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.39 1x5p n LYS 14 Cb 0.20 -1.00 0.00 0.00 0.02 0.00 0.00 35.03 34.25 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 1.86 1.21 0.33 3.14 0.00 -1.26 -5.06 105.19 105.39 1x5p n GLY 15 Ca 0.17 -0.80 -0.09 0.00 0.00 0.00 0.00 46.02 45.30 1x5p n GLY 15 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x5p n ASN 16 N 0.00 2.11 -4.84 1.61 4.13 -1.26 -4.11 115.26 112.89 1x5p n ASN 16 Ca 0.00 0.03 -0.32 0.00 1.68 0.00 0.00 54.58 55.97 1x5p n ASN 16 Cb 0.00 -0.23 -0.06 0.00 -1.54 0.00 0.00 39.78 37.95 1x5p n ASN 16 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1x5p s THR 17 N -2.20 4.62 -0.06 3.41 2.01 -1.26 -1.61 115.64 120.55 1x5p s THR 17 Ca -0.14 1.04 0.00 0.00 0.31 0.00 0.00 61.69 62.90 1x5p s THR 17 Cb 0.05 -3.62 0.02 0.00 0.01 0.00 0.00 72.50 68.96 1x5p s THR 17 CO 0.22 -0.25 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.10 1x5p s LEU 18 N -3.12 1.06 -0.57 4.42 1.43 0.11 -3.96 118.68 118.04 1x5p s LEU 18 Ca 0.56 -0.13 -0.28 0.00 -1.03 0.00 0.00 54.13 53.25 1x5p s LEU 18 Cb -0.10 -0.48 0.03 0.00 0.03 0.00 0.00 46.19 45.67 1x5p s LEU 18 CO 0.18 -0.11 1.15 -0.47 0.23 0.00 0.00 176.35 177.33 1x5p s TYR 19 N 1.34 2.64 0.09 0.29 6.14 0.35 -2.07 117.35 126.14 1x5p s TYR 19 Ca -0.04 0.35 0.02 0.00 0.64 0.00 0.00 57.07 58.03 1x5p s TYR 19 Cb -0.13 -4.44 -0.04 0.00 0.42 0.00 0.00 41.96 37.77 1x5p s TYR 19 CO -0.02 -1.54 0.18 0.08 0.64 0.00 0.00 175.55 174.89 1x5p s VAL 20 N 4.77 5.06 0.04 3.14 1.01 0.15 -0.42 120.40 134.16 1x5p s VAL 20 Ca 0.41 -0.61 0.03 0.00 0.00 0.00 0.00 61.98 61.81 1x5p s VAL 20 Cb -0.08 -3.50 -0.02 0.00 0.00 0.00 0.00 36.38 32.78 1x5p s VAL 20 CO 0.24 0.07 -0.11 -0.47 0.00 0.00 0.00 175.10 174.84 1x5p s TYR 21 N -1.54 0.91 0.16 5.22 5.04 0.15 -0.53 117.35 126.75 1x5p s TYR 21 Ca 0.33 -0.42 -0.23 0.00 -2.44 0.00 0.00 57.07 54.32 1x5p s TYR 21 Cb -0.12 -0.54 0.08 0.00 0.35 0.00 0.00 41.96 41.73 1x5p s TYR 21 CO 0.26 -0.01 1.07 0.20 -1.34 0.00 0.00 175.55 175.73 1x5p s GLY 22 N -1.38 0.11 0.00 8.97 0.00 -0.55 -2.11 107.32 112.36 1x5p s GLY 22 Ca -0.04 -0.33 0.00 0.00 0.00 0.00 0.00 44.72 44.34 1x5p s GLY 22 CO 0.01 3.11 0.00 -1.84 0.00 0.00 0.00 173.10 174.38 1x5p n GLU 23 N -0.75 0.00 -1.75 2.90 0.28 -1.26 -4.44 120.64 115.62 1x5p n GLU 23 Ca -0.02 0.00 -0.27 0.00 -0.16 0.00 0.00 57.16 56.71 1x5p n GLU 23 Cb 0.59 -0.40 0.05 0.00 1.43 0.00 0.00 31.44 33.10 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 -2.22 5.82 -4.45 -1.84 2.03 -1.26 -5.01 116.55 109.61 1x5p n ASP 24 Ca 0.00 -3.77 -0.29 0.00 0.52 0.00 0.00 54.79 51.26 1x5p n ASP 24 Cb 0.15 -0.57 -0.12 0.00 -0.72 0.00 0.00 41.12 39.87 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 -3.67 1.64 0.23 -0.67 0.23 -1.26 -4.93 119.30 110.86 1x5p s MET 25 Ca 0.56 -1.31 0.09 0.00 -1.03 0.00 0.00 55.69 54.00 1x5p s MET 25 Cb 0.44 -2.00 -0.05 0.00 -1.53 0.00 0.00 34.83 31.70 1x5p s MET 25 CO 0.02 0.45 -0.17 0.95 -2.03 0.00 0.00 175.02 174.25 1x5p s THR 26 N -1.27 2.00 0.06 3.16 -4.23 -1.26 -5.05 115.64 109.05 1x5p s THR 26 Ca 0.18 -2.26 -0.16 0.00 -1.18 0.00 0.00 61.69 58.27 1x5p s THR 26 Cb -0.10 -2.12 -0.06 0.00 1.34 0.00 0.00 72.50 71.56 1x5p s THR 26 CO 0.09 -0.51 1.26 -0.65 -0.54 0.00 0.00 174.62 174.28 1x5p h PRO 27 N 2.51 -0.25 -1.14 3.99 0.11 -1.99 0.05 132.00 135.28 1x5p h PRO 27 Ca -0.39 0.02 0.33 0.00 0.11 0.00 0.00 66.00 66.07 1x5p h PRO 27 Cb 1.23 0.06 -0.05 0.00 0.11 0.00 0.00 31.00 32.35 1x5p h PRO 27 CO 0.60 -0.17 0.82 1.15 -0.21 0.00 0.00 178.00 180.20 1x5p h THR 28 N -0.26 0.43 -0.08 -1.15 2.02 -2.00 0.12 112.91 111.99 1x5p h THR 28 Ca 0.02 -0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.19 1x5p h THR 28 Cb 0.32 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 67.15 1x5p h THR 28 CO -0.23 0.00 0.00 0.25 0.37 0.00 0.00 175.52 175.92 1x5p h LEU 29 N 0.00 0.14 -1.50 2.58 6.46 -1.42 -2.93 115.31 118.64 1x5p h LEU 29 Ca 0.54 -0.30 -0.04 0.00 -0.12 0.00 0.00 57.88 57.96 1x5p h LEU 29 Cb 2.17 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 42.05 1x5p h LEU 29 CO -0.01 0.41 -0.12 -0.07 -0.62 0.00 0.00 178.44 178.02 1x5p h LEU 30 N -0.13 0.16 -0.09 2.25 3.38 -0.07 -2.29 115.31 118.52 1x5p h LEU 30 Ca 0.02 -0.03 0.03 0.00 0.09 0.00 0.00 57.88 57.99 1x5p h LEU 30 Cb 0.33 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 1x5p h LEU 30 CO 0.00 0.30 -0.08 0.03 0.09 0.00 0.00 178.44 178.79 1x5p h ARG 31 N 0.16 -0.09 0.00 1.13 3.08 -1.18 0.69 114.38 118.17 1x5p h ARG 31 Ca 0.03 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1x5p h ARG 31 Cb 0.33 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1x5p h ARG 31 CO 0.02 -0.06 0.00 0.41 -1.07 0.00 0.00 179.97 179.27 1x5p n GLY 32 N -1.21 -1.35 0.08 0.04 0.00 -1.09 -1.71 105.19 99.95 1x5p n GLY 32 Ca -0.04 -0.13 -0.05 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.36 1.78 0.42 4.61 0.00 -0.57 -4.32 120.51 121.07 1x5p n ALA 33 Ca 0.12 -1.04 0.11 0.00 0.00 0.00 0.00 53.44 52.62 1x5p n ALA 33 Cb 0.27 -0.44 -0.07 0.00 0.00 0.00 0.00 19.45 19.21 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 -2.71 0.18 -0.27 0.00 3.01 0.23 -4.28 117.46 113.62 1x5p n PHE 34 Ca -0.23 0.05 -0.05 0.00 1.01 0.00 0.00 57.45 58.22 1x5p n PHE 34 Cb 1.01 -0.42 0.06 0.00 -0.01 0.00 0.00 39.48 40.12 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 0.90 -0.92 4.37 0.87 -1.46 -2.74 113.55 114.56 1x5p h SER 35 Ca 0.00 -0.08 0.23 0.00 -1.23 0.00 0.00 61.79 60.71 1x5p h SER 35 Cb 0.80 -0.23 -0.13 0.00 -0.44 0.00 0.00 62.40 62.41 1x5p h SER 35 CO 0.00 0.72 0.44 -0.65 -0.53 0.00 0.00 176.83 176.80 1x5p h PRO 36 N 1.00 0.42 -0.14 2.24 0.11 -1.78 0.07 132.00 133.92 1x5p h PRO 36 Ca 0.26 -0.03 -0.22 0.00 0.11 0.00 0.00 66.00 66.12 1x5p h PRO 36 Cb -0.00 -0.09 0.01 0.00 0.11 0.00 0.00 31.00 31.02 1x5p h PRO 36 CO -0.05 0.28 -0.79 0.74 -0.21 0.00 0.00 178.00 177.97 1x5p h PHE 37 N 0.43 1.02 0.00 0.65 -1.00 -1.76 -3.49 116.94 112.79 1x5p h PHE 37 Ca 0.58 -0.46 0.00 0.00 2.81 0.00 0.00 57.97 60.90 1x5p h PHE 37 Cb 1.11 -0.15 0.00 0.00 3.61 0.00 0.00 35.95 40.51 1x5p h PHE 37 CO -0.11 1.29 0.00 0.41 -1.61 0.00 0.00 178.31 178.29 1x5p n GLY 38 N 0.71 1.18 3.81 -1.45 0.00 0.01 -4.87 105.19 104.59 1x5p n GLY 38 Ca -0.07 -0.26 -0.36 0.00 0.00 0.00 0.00 46.02 45.32 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 6.03 -0.32 1.61 2.47 -1.26 -3.99 114.94 121.48 1x5p s ASN 39 Ca 0.00 0.35 -0.14 0.00 0.42 0.00 0.00 52.86 53.49 1x5p s ASN 39 Cb 0.00 -1.91 -0.02 0.00 -1.45 0.00 0.00 41.25 37.87 1x5p s ASN 39 CO 0.00 0.38 0.32 -0.63 -3.72 0.00 0.00 177.10 173.45 1x5p s ILE 40 N -0.85 5.21 -0.14 -5.21 1.01 -1.26 -3.13 121.20 116.83 1x5p s ILE 40 Ca 0.14 0.09 0.17 0.00 0.00 0.00 0.00 60.65 61.05 1x5p s ILE 40 Cb -0.12 -3.74 -0.24 0.00 0.01 0.00 0.00 42.46 38.36 1x5p s ILE 40 CO 0.03 0.01 0.16 2.30 0.00 0.00 0.00 174.94 177.43 1x5p n ILE 41 N 5.17 0.92 -3.65 2.92 -5.35 -1.00 -4.90 119.36 113.48 1x5p n ILE 41 Ca -0.10 -0.68 -0.26 0.00 -0.27 0.00 0.00 62.75 61.43 1x5p n ILE 41 Cb 0.50 -0.37 -0.17 0.00 -1.74 0.00 0.00 39.64 37.86 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 -4.97 2.35 -0.23 7.28 -1.08 -1.25 -5.00 116.67 113.78 1x5p s ASP 42 Ca -0.08 -0.59 -0.03 0.00 -0.52 0.00 0.00 52.55 51.33 1x5p s ASP 42 Cb 0.07 -0.32 0.07 0.00 -1.46 0.00 0.00 42.92 41.29 1x5p s ASP 42 CO 0.76 -0.33 0.07 -0.22 0.52 0.00 0.00 175.17 175.97 1x5p s LEU 43 N 2.07 1.21 -0.00 -1.34 2.96 -1.24 0.20 118.68 122.53 1x5p s LEU 43 Ca 0.02 -1.03 0.08 0.00 -0.22 0.00 0.00 54.13 52.97 1x5p s LEU 43 Cb -0.16 -0.57 -0.02 0.00 0.50 0.00 0.00 46.19 45.94 1x5p s LEU 43 CO -0.08 -0.35 -0.25 -0.55 -1.32 0.00 0.00 176.35 173.79 1x5p s SER 44 N 1.88 3.17 -0.03 3.68 0.15 -0.96 -4.94 113.70 116.64 1x5p s SER 44 Ca 0.03 -0.48 0.05 0.00 0.70 0.00 0.00 55.95 56.25 1x5p s SER 44 Cb -0.17 -0.37 -0.03 0.00 -1.71 0.00 0.00 66.02 63.75 1x5p s SER 44 CO -0.16 0.30 -0.17 -0.04 1.20 0.00 0.00 173.24 174.37 1x5p s MET 45 N -0.80 2.37 -0.46 5.44 -1.94 -1.26 -0.06 119.30 122.59 1x5p s MET 45 Ca 0.11 -0.78 0.01 0.00 -1.71 0.00 0.00 55.69 53.32 1x5p s MET 45 Cb -0.10 -2.28 0.12 0.00 2.01 0.00 0.00 34.83 34.58 1x5p s MET 45 CO 0.00 0.60 0.21 -0.51 -0.01 0.00 0.00 175.02 175.31 1x5p s ASP 46 N -0.79 4.81 0.28 3.03 1.11 0.16 -4.97 116.67 120.30 1x5p s ASP 46 Ca 0.12 -2.52 0.02 0.00 0.18 0.00 0.00 52.55 50.35 1x5p s ASP 46 Cb -0.10 -1.71 0.69 0.00 1.07 0.00 0.00 42.92 42.86 1x5p s ASP 46 CO 0.01 -0.36 1.69 -0.65 1.18 0.00 0.00 175.17 177.03 1x5p h PRO 47 N 7.25 0.36 -0.14 8.23 0.11 -1.94 0.65 132.00 146.52 1x5p h PRO 47 Ca -0.07 -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 -0.05 0.00 0.11 0.00 0.00 31.00 31.95 1x5p h PRO 47 CO 0.64 0.24 -0.39 -1.35 -0.21 0.00 0.00 178.00 176.93 1x5p h PRO 48 N 0.37 -0.37 -0.61 1.05 0.11 -1.96 -1.89 132.00 128.70 1x5p h PRO 48 Ca 0.54 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.67 1x5p h PRO 48 Cb 1.01 0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1x5p h PRO 48 CO -0.53 -0.25 0.00 0.54 -0.21 0.00 0.00 178.00 177.55 1x5p n ARG 49 N -4.61 2.91 -4.38 1.05 3.00 -1.00 -4.92 116.66 108.71 1x5p n ARG 49 Ca -0.04 -2.20 -0.38 0.00 -0.01 0.00 0.00 57.85 55.21 1x5p n ARG 49 Cb 0.26 -1.67 -0.06 0.00 0.00 0.00 0.00 32.46 31.00 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 0.96 -1.86 -4.10 0.55 3.02 0.22 -4.73 115.26 109.32 1x5p n ASN 50 Ca 0.20 -1.16 -0.21 0.00 -0.03 0.00 0.00 54.58 53.38 1x5p n ASN 50 Cb 0.65 -2.06 -0.01 0.00 -0.61 0.00 0.00 39.78 37.75 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 -2.61 -1.41 -0.32 0.00 0.00 0.31 -0.67 121.76 117.05 1x5p s ALA 52 Ca 0.17 0.56 0.00 0.00 0.00 0.00 0.00 51.96 52.69 1x5p s ALA 52 Cb -0.01 0.54 0.10 0.00 0.00 0.00 0.00 23.12 23.75 1x5p s ALA 52 CO 0.11 -0.59 0.09 -0.06 0.00 0.00 0.00 175.76 175.31 1x5p s PHE 53 N -2.89 2.07 -0.14 0.00 0.08 0.91 0.30 117.98 118.31 1x5p s PHE 53 Ca -0.03 -1.98 -0.10 0.00 0.12 0.00 0.00 56.93 54.94 1x5p s PHE 53 Cb -0.00 -1.93 -0.05 0.00 -0.57 0.00 0.00 43.02 40.47 1x5p s PHE 53 CO -0.05 -0.89 0.20 0.08 -0.10 0.00 0.00 175.22 174.46 1x5p s VAL 54 N 1.45 5.39 -0.05 -0.44 1.01 -0.88 -2.25 120.40 124.63 1x5p s VAL 54 Ca 0.10 0.34 0.06 0.00 0.00 0.00 0.00 61.98 62.49 1x5p s VAL 54 Cb -0.18 -3.50 -0.01 0.00 0.00 0.00 0.00 36.38 32.69 1x5p s VAL 54 CO -0.21 0.52 -0.24 -0.89 0.00 0.00 0.00 175.10 174.28 1x5p s THR 55 N -0.38 2.20 -0.09 3.92 2.01 0.13 0.04 115.64 123.48 1x5p s THR 55 Ca 0.14 -1.03 -0.03 0.00 0.31 0.00 0.00 61.69 61.08 1x5p s THR 55 Cb -0.12 -1.80 -0.04 0.00 0.01 0.00 0.00 72.50 70.55 1x5p s THR 55 CO 0.03 0.57 0.06 -0.31 -0.69 0.00 0.00 174.62 174.29 1x5p s TYR 56 N -0.32 3.32 0.41 4.92 2.02 -0.64 -2.38 117.35 124.68 1x5p s TYR 56 Ca 0.01 0.30 0.12 0.00 -0.37 0.00 0.00 57.07 57.14 1x5p s TYR 56 Cb -0.12 -1.83 0.96 0.00 -0.40 0.00 0.00 41.96 40.56 1x5p s TYR 56 CO 0.02 0.57 1.93 1.49 -1.57 0.00 0.00 175.55 177.99 1x5p h GLU 57 N 4.95 0.50 -4.91 -0.62 4.81 -1.88 -3.37 114.58 114.05 1x5p h GLU 57 Ca -0.52 -0.03 -0.67 0.00 -0.13 0.00 0.00 59.36 58.02 1x5p h GLU 57 Cb 1.20 -0.11 -0.36 0.00 0.63 0.00 0.00 28.75 30.11 1x5p h GLU 57 CO 0.57 0.33 -0.82 0.15 -0.73 0.00 0.00 179.01 178.50 1x5p s LYS 58 N -5.49 2.50 0.35 1.92 -0.14 -1.26 -4.99 119.74 112.64 1x5p s LYS 58 Ca -0.08 -1.11 0.25 0.00 -1.36 0.00 0.00 55.97 53.66 1x5p s LYS 58 Cb 0.21 -2.73 1.21 0.00 -1.68 0.00 0.00 37.83 34.84 1x5p s LYS 58 CO 0.77 -0.42 1.30 0.00 -0.76 0.00 0.00 175.35 176.24 1x5p n MET 59 N 4.52 -0.03 -0.29 1.68 0.00 -1.26 -0.71 117.12 121.03 1x5p n MET 59 Ca -0.17 1.07 -0.03 0.00 0.00 0.00 0.00 57.70 58.57 1x5p n MET 59 Cb 0.45 -2.06 -0.00 0.00 0.00 0.00 0.00 33.22 31.61 1x5p n MET 59 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 1x5p n GLU 60 N -4.49 -0.22 -0.16 3.17 1.02 -1.26 0.14 120.64 118.84 1x5p n GLU 60 Ca 0.33 1.13 -0.04 0.00 -0.02 0.00 0.00 57.16 58.56 1x5p n GLU 60 Cb 1.25 -1.68 0.05 0.00 -0.02 0.00 0.00 31.44 31.04 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 0.30 -0.69 1.62 0.02 -1.25 -2.76 113.55 110.80 1x5p h SER 61 Ca 0.21 0.04 0.06 0.00 -0.84 0.00 0.00 61.79 61.26 1x5p h SER 61 Cb 0.40 -0.02 -0.08 0.00 0.14 0.00 0.00 62.40 62.84 1x5p h SER 61 CO -0.72 0.21 -0.41 0.00 -1.14 0.00 0.00 176.83 174.77 1x5p n ALA 62 N -2.35 -0.44 -0.13 3.77 0.00 0.37 0.57 120.51 122.30 1x5p n ALA 62 Ca 0.04 0.59 -0.09 0.00 0.00 0.00 0.00 53.44 53.97 1x5p n ALA 62 Cb 0.15 -0.08 -0.01 0.00 0.00 0.00 0.00 19.45 19.50 1x5p n ALA 62 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1x5p h ASP 63 N 0.00 0.57 0.14 0.00 3.32 -1.44 -2.12 116.42 116.89 1x5p h ASP 63 Ca 0.11 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 56.95 1x5p h ASP 63 Cb 0.28 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 1x5p h ASP 63 CO -0.65 0.62 -0.15 1.56 -1.72 0.00 0.00 179.24 178.91 1x5p h GLN 64 N 0.48 -0.28 -0.29 3.56 4.20 0.42 -1.11 115.11 122.09 1x5p h GLN 64 Ca 0.13 0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.90 1x5p h GLN 64 Cb 0.25 0.06 -0.08 0.00 0.30 0.00 0.00 27.48 28.02 1x5p h GLN 64 CO -0.00 -0.18 -0.53 0.00 -0.67 0.00 0.00 178.83 177.44 1x5p h ALA 65 N -1.50 -0.77 -0.13 3.87 0.00 -0.01 0.57 119.26 121.30 1x5p h ALA 65 Ca -0.02 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.91 1x5p h ALA 65 Cb 0.25 1.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1x5p h ALA 65 CO -0.02 -1.04 0.52 0.28 0.00 0.00 0.00 179.25 178.99 1x5p h VAL 66 N -0.47 0.07 0.01 0.00 2.07 -1.35 1.47 116.25 118.06 1x5p h VAL 66 Ca 0.07 0.00 -0.29 0.00 0.82 0.00 0.00 66.70 67.30 1x5p h VAL 66 Cb 0.63 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 1x5p h VAL 66 CO -0.52 0.00 -1.67 0.00 0.02 0.00 0.00 177.57 175.39 1x5p h ALA 67 N 1.08 0.70 0.00 1.67 0.00 0.14 -3.28 119.26 119.57 1x5p h ALA 67 Ca 0.06 -1.41 -0.03 0.00 0.00 0.00 0.00 54.91 53.53 1x5p h ALA 67 Cb 1.10 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 1x5p h ALA 67 CO -0.00 1.53 -1.02 0.39 0.00 0.00 0.00 179.25 180.15 1x5p n GLU 68 N -3.12 0.52 0.30 0.00 1.02 0.22 -4.37 120.64 115.22 1x5p n GLU 68 Ca -0.17 0.28 0.16 0.00 -0.02 0.00 0.00 57.16 57.41 1x5p n GLU 68 Cb 1.04 -1.49 0.87 0.00 -0.02 0.00 0.00 31.44 31.85 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 -9.05 -4.62 3.38 0.14 -3.37 115.31 100.80 1x5p h LEU 69 Ca -0.05 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.34 1x5p h LEU 69 Cb 0.96 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 1x5p h LEU 69 CO -0.03 0.00 1.40 0.21 0.09 0.00 0.00 178.44 180.11 1x5p s ASN 70 N -4.50 5.74 -1.64 -0.43 2.47 -1.21 -1.74 114.94 113.63 1x5p s ASN 70 Ca -0.04 1.97 0.00 0.00 0.42 0.00 0.00 52.86 55.21 1x5p s ASN 70 Cb 0.09 -2.52 0.00 0.00 -1.45 0.00 0.00 41.25 37.37 1x5p s ASN 70 CO 0.29 -1.73 0.00 0.61 -3.72 0.00 0.00 177.10 172.55 1x5p n GLY 71 N 5.43 -0.30 3.92 1.21 0.00 -0.85 -4.96 105.19 109.64 1x5p n GLY 71 Ca 0.27 -0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.93 4.84 -0.40 2.61 -1.32 -0.71 -4.88 115.64 112.84 1x5p s THR 72 Ca 0.00 -0.11 0.04 0.00 -1.21 0.00 0.00 61.69 60.41 1x5p s THR 72 Cb 0.00 -3.81 0.11 0.00 -1.51 0.00 0.00 72.50 67.29 1x5p s THR 72 CO 0.00 -0.68 0.12 -1.58 -2.21 0.00 0.00 174.62 170.27 1x5p s GLN 73 N -4.58 1.63 -0.05 7.08 0.74 -1.26 -0.90 119.66 122.31 1x5p s GLN 73 Ca 0.45 -2.11 0.05 0.00 0.05 0.00 0.00 55.36 53.80 1x5p s GLN 73 Cb -0.10 -3.21 -0.02 0.00 1.10 0.00 0.00 33.01 30.78 1x5p s GLN 73 CO 0.41 -1.00 -0.18 0.14 -0.55 0.00 0.00 175.29 174.11 1x5p s VAL 74 N 0.52 2.73 -1.64 1.34 -7.23 -0.99 -4.59 120.40 110.55 1x5p s VAL 74 Ca 0.13 -0.84 0.00 0.00 -1.81 0.00 0.00 61.98 59.46 1x5p s VAL 74 Cb -0.21 -2.05 0.00 0.00 0.56 0.00 0.00 36.38 34.68 1x5p s VAL 74 CO -0.06 0.58 0.00 -0.62 -0.31 0.00 0.00 175.10 174.69 1x5p n GLU 75 N 2.51 -1.72 -2.15 4.82 1.02 -1.26 -0.43 120.64 123.44 1x5p n GLU 75 Ca -0.17 0.92 -0.10 0.00 -0.02 0.00 0.00 57.16 57.79 1x5p n GLU 75 Cb 0.52 -5.45 -0.01 0.00 -0.02 0.00 0.00 31.44 26.48 1x5p n GLU 75 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1x5p n SER 76 N -1.61 -3.40 -3.70 1.62 2.88 -1.26 -5.01 113.62 103.14 1x5p n SER 76 Ca -0.20 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.11 1x5p n SER 76 Cb 0.63 -2.62 -0.17 0.00 -0.75 0.00 0.00 64.21 61.30 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 -2.49 0.15 -0.29 2.46 1.01 0.43 -5.06 120.40 116.61 1x5p s VAL 77 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 61.98 61.70 1x5p s VAL 77 Cb 0.00 -0.53 -0.02 0.00 0.00 0.00 0.00 36.38 35.83 1x5p s VAL 77 CO 0.00 0.01 1.62 -1.10 0.00 0.00 0.00 175.10 175.63 1x5p s GLN 78 N 2.05 3.63 -0.11 2.72 -0.21 -1.26 -2.33 119.66 124.15 1x5p s GLN 78 Ca 0.03 1.46 -0.05 0.00 0.02 0.00 0.00 55.36 56.82 1x5p s GLN 78 Cb -0.14 -4.07 -0.04 0.00 1.00 0.00 0.00 33.01 29.76 1x5p s GLN 78 CO -0.06 -1.49 0.10 -0.51 -2.12 0.00 0.00 175.29 171.20 1x5p s LEU 79 N 5.69 4.14 -0.24 2.90 1.43 -0.08 -4.71 118.68 127.82 1x5p s LEU 79 Ca 0.72 0.37 0.02 0.00 -1.03 0.00 0.00 54.13 54.20 1x5p s LEU 79 Cb -0.22 -1.99 0.05 0.00 0.03 0.00 0.00 46.19 44.06 1x5p s LEU 79 CO 0.31 0.40 -0.10 -0.54 0.23 0.00 0.00 176.35 176.65 1x5p s LYS 80 N -0.98 2.07 0.05 1.70 3.01 -0.90 -2.01 119.74 122.67 1x5p s LYS 80 Ca 0.14 -1.11 0.05 0.00 -1.01 0.00 0.00 55.97 54.04 1x5p s LYS 80 Cb -0.12 -2.69 -0.04 0.00 -1.01 0.00 0.00 37.83 33.98 1x5p s LYS 80 CO 0.03 -0.53 -0.06 0.08 0.51 0.00 0.00 175.35 175.39 1x5p s VAL 81 N 1.26 3.69 0.01 3.17 1.01 -1.26 0.29 120.40 128.57 1x5p s VAL 81 Ca -0.06 -0.96 -0.10 0.00 0.00 0.00 0.00 61.98 60.87 1x5p s VAL 81 Cb -0.18 -2.68 0.01 0.00 0.00 0.00 0.00 36.38 33.52 1x5p s VAL 81 CO -0.06 0.25 0.20 0.21 0.00 0.00 0.00 175.10 175.69 1x5p s ASN 82 N -1.86 -0.03 -0.77 3.32 2.47 0.44 -4.62 114.94 113.89 1x5p s ASN 82 Ca 0.21 -0.17 -0.25 0.00 0.42 0.00 0.00 52.86 53.06 1x5p s ASN 82 Cb -0.11 0.25 -0.03 0.00 -1.45 0.00 0.00 41.25 39.91 1x5p s ASN 82 CO 0.12 -0.44 1.90 -0.63 -3.72 0.00 0.00 177.10 174.33 1x5p s ILE 83 N -1.65 3.42 0.35 -5.21 -1.09 -1.26 -0.50 121.20 115.26 1x5p s ILE 83 Ca -0.12 -0.11 -0.17 0.00 -2.23 0.00 0.00 60.65 58.01 1x5p s ILE 83 Cb -0.05 -4.00 -0.13 0.00 -1.58 0.00 0.00 42.46 36.70 1x5p s ILE 83 CO 0.01 -0.95 0.03 0.00 -1.23 0.00 0.00 174.94 172.80 1x5p n ALA 84 N 13.32 -2.75 -0.06 9.38 0.00 -1.25 -4.91 120.51 134.23 1x5p n ALA 84 Ca 0.31 0.07 -0.09 0.00 0.00 0.00 0.00 53.44 53.73 1x5p n ALA 84 Cb 0.49 -1.22 -0.08 0.00 0.00 0.00 0.00 19.45 18.64 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 0.21 0.00 -5.60 0.00 1.12 -1.95 -3.40 114.38 104.76 1x5p h ARG 85 Ca -0.32 0.00 -0.40 0.00 -1.11 0.00 0.00 59.98 58.15 1x5p h ARG 85 Cb 1.21 0.00 -0.05 0.00 -0.01 0.00 0.00 29.97 31.12 1x5p h ARG 85 CO 0.38 0.60 1.25 0.15 -3.11 0.00 0.00 179.97 179.24 1x5p s LYS 86 N -1.97 2.83 -0.58 0.20 -0.14 -1.26 -4.81 119.74 114.01 1x5p s LYS 86 Ca -0.12 -1.20 0.05 0.00 -1.36 0.00 0.00 55.97 53.34 1x5p s LYS 86 Cb -0.02 -5.28 0.17 0.00 -1.68 0.00 0.00 37.83 31.03 1x5p s LYS 86 CO 0.41 -3.50 0.43 1.04 -0.76 0.00 0.00 175.35 172.97 1x5p n GLN 87 N 8.41 1.14 -1.07 1.68 6.02 -1.26 -5.04 117.38 127.26 1x5p n GLN 87 Ca 0.44 -3.93 -0.30 0.00 -0.01 0.00 0.00 57.00 53.19 1x5p n GLN 87 Cb 0.47 -2.03 0.25 0.00 1.02 0.00 0.00 30.24 29.95 1x5p n GLN 87 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1x5p s PRO 88 N -0.83 -1.56 0.32 -1.09 0.04 -1.26 -5.01 135.00 125.61 1x5p s PRO 88 Ca 0.28 -0.19 -0.26 0.00 0.04 0.00 0.00 61.00 60.87 1x5p s PRO 88 Cb -0.01 -1.57 -0.10 0.00 0.04 0.00 0.00 34.50 32.87 1x5p s PRO 88 CO -0.18 -3.91 0.99 0.00 0.04 0.00 0.00 177.00 173.93 1x5p s MET 89 N -5.50 4.53 -0.11 4.56 0.23 -1.26 -4.99 119.30 116.76 1x5p s MET 89 Ca 0.72 1.45 -0.08 0.00 -1.03 0.00 0.00 55.69 56.75 1x5p s MET 89 Cb -0.08 -2.85 -0.05 0.00 -1.53 0.00 0.00 34.83 30.32 1x5p s MET 89 CO 0.56 0.21 -0.19 1.28 -2.03 0.00 0.00 175.02 174.85 1x5p n LEU 90 N 0.61 1.19 -3.71 0.18 7.99 -1.26 -5.00 117.00 116.99 1x5p n LEU 90 Ca 0.02 0.20 -0.24 0.00 -0.01 0.00 0.00 56.01 55.97 1x5p n LEU 90 Cb 0.49 -0.47 -0.17 0.00 -0.11 0.00 0.00 43.42 43.16 1x5p n LEU 90 CO 0.46 0.05 -0.36 -0.62 -1.51 0.00 0.00 177.39 175.41 1x5p s ASP 91 N -6.20 2.03 -0.12 -1.43 -1.08 -1.26 -5.04 116.67 103.56 1x5p s ASP 91 Ca -0.19 -0.37 -0.06 0.00 -0.52 0.00 0.00 52.55 51.42 1x5p s ASP 91 Cb 0.06 -0.39 -0.03 0.00 -1.46 0.00 0.00 42.92 41.11 1x5p s ASP 91 CO 0.25 -0.27 -0.05 0.77 0.52 0.00 0.00 175.17 176.39 1x5p h SER 92 N 8.34 0.00 -3.96 -0.34 4.64 -2.04 -3.51 113.55 116.69 1x5p h SER 92 Ca -0.16 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 1x5p h SER 92 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1x5p h SER 92 CO 0.27 0.66 -0.55 0.61 -0.87 0.00 0.00 176.83 176.95 1x5p n GLY 93 N 1.69 -3.67 3.74 -0.77 0.00 -1.26 -4.95 105.19 99.97 1x5p n GLY 93 Ca -0.05 -0.99 -0.30 0.00 0.00 0.00 0.00 46.02 44.68 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 -4.76 1.72 -0.06 1.61 0.04 -1.26 -5.07 135.00 127.22 1x5p s PRO 94 Ca 0.00 0.98 -0.03 0.00 0.04 0.00 0.00 61.00 61.99 1x5p s PRO 94 Cb 0.00 -1.85 0.04 0.00 0.04 0.00 0.00 34.50 32.73 1x5p s PRO 94 CO 0.00 -1.96 0.12 -1.12 0.04 0.00 0.00 177.00 174.08 1x5p s SER 95 N -3.41 0.67 -0.15 6.66 0.01 -1.26 -5.05 113.70 111.17 1x5p s SER 95 Ca 0.62 0.23 -0.15 0.00 1.31 0.00 0.00 55.95 57.96 1x5p s SER 95 Cb -0.18 0.12 -0.06 0.00 0.21 0.00 0.00 66.02 66.11 1x5p s SER 95 CO 0.56 -0.22 -0.30 -1.20 0.41 0.00 0.00 173.24 172.49 1x5p n SER 96 N 5.06 1.81 0.00 2.44 7.64 -1.26 -5.35 113.62 123.96 1x5p n SER 96 Ca -0.09 0.30 0.00 0.00 1.01 0.00 0.00 58.87 60.09 1x5p n SER 96 Cb 0.50 -0.69 0.00 0.00 -1.01 0.00 0.00 64.21 63.01 1x5p n SER 96 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64