#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 0.88 -3.83 1.61 7.64 -1.26 -4.90 113.62 113.76 1x5p n SER 2 Ca 0.00 0.85 -0.11 0.00 1.01 0.00 0.00 58.87 60.63 1x5p n SER 2 Cb 0.00 -0.71 -0.05 0.00 -1.01 0.00 0.00 64.21 62.43 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 3.06 0.14 -0.16 6.43 0.15 -1.26 -5.16 113.70 116.91 1x5p s SER 3 Ca 0.88 -1.10 -0.09 0.00 0.70 0.00 0.00 55.95 56.34 1x5p s SER 3 Cb -1.21 0.59 -0.05 0.00 -1.71 0.00 0.00 66.02 63.64 1x5p s SER 3 CO 0.63 -1.16 0.15 -0.83 1.20 0.00 0.00 173.24 173.23 1x5p s GLY 4 N -3.08 2.11 0.14 9.45 0.00 -1.26 -5.09 107.32 109.59 1x5p s GLY 4 Ca 0.26 -0.65 -0.07 0.00 0.00 0.00 0.00 44.72 44.26 1x5p s GLY 4 CO 0.12 -0.08 0.22 -1.35 0.00 0.00 0.00 173.10 172.00 1x5p s SER 5 N -0.30 0.11 0.21 1.64 1.04 -1.26 -5.18 113.70 109.97 1x5p s SER 5 Ca 0.12 -0.87 0.04 0.00 0.48 0.00 0.00 55.95 55.72 1x5p s SER 5 Cb -0.12 0.38 -0.05 0.00 0.10 0.00 0.00 66.02 66.34 1x5p s SER 5 CO 0.01 -0.82 -0.02 -0.94 0.98 0.00 0.00 173.24 172.45 1x5p s SER 6 N -2.95 1.80 0.00 7.02 1.04 -1.26 -5.11 113.70 114.23 1x5p s SER 6 Ca 0.15 -1.18 0.00 0.00 0.48 0.00 0.00 55.95 55.40 1x5p s SER 6 Cb 0.04 0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.18 1x5p s SER 6 CO -0.03 -0.48 0.37 0.61 0.98 0.00 0.00 173.24 174.69 1x5p n GLY 7 N -0.37 -1.23 3.66 7.32 0.00 -1.26 -4.68 105.19 108.62 1x5p n GLY 7 Ca -0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 1x5p n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x5p s GLU 8 N -0.94 4.21 -1.09 1.61 8.01 -1.26 -4.95 118.70 124.29 1x5p s GLU 8 Ca 0.00 1.86 -0.12 0.00 0.01 0.00 0.00 54.97 56.72 1x5p s GLU 8 Cb 0.00 -3.84 0.23 0.00 -4.31 0.00 0.00 34.13 26.21 1x5p s GLU 8 CO 0.00 -0.76 1.17 0.50 0.01 0.00 0.00 175.26 176.18 1x5p s ARG 9 N 3.68 4.06 0.70 1.61 6.06 -1.26 -5.03 118.95 128.77 1x5p s ARG 9 Ca 0.62 -2.83 -0.11 0.00 -2.50 0.00 0.00 55.73 50.90 1x5p s ARG 9 Cb -0.26 -4.72 0.01 0.00 0.06 0.00 0.00 34.95 30.04 1x5p s ARG 9 CO 0.20 -1.44 1.06 -0.98 -2.50 0.00 0.00 175.30 171.64 1x5p s ARG 10 N 0.04 2.88 0.64 5.12 3.03 -1.26 -4.99 118.95 124.41 1x5p s ARG 10 Ca 0.33 0.87 -0.17 0.00 2.03 0.00 0.00 55.73 58.79 1x5p s ARG 10 Cb -0.07 -1.99 -0.05 0.00 -1.03 0.00 0.00 34.95 31.81 1x5p s ARG 10 CO -0.06 -1.12 0.74 0.00 -1.13 0.00 0.00 175.30 173.74 1x5p n ALA 11 N -3.13 -0.63 -1.77 7.88 0.00 -1.26 -4.92 120.51 116.68 1x5p n ALA 11 Ca 0.07 -0.09 -0.39 0.00 0.00 0.00 0.00 53.44 53.04 1x5p n ALA 11 Cb 0.54 -1.98 -0.02 0.00 0.00 0.00 0.00 19.45 18.00 1x5p n ALA 11 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1x5p s PRO 12 N -2.67 4.11 1.02 0.00 0.04 -1.26 -4.99 135.00 131.26 1x5p s PRO 12 Ca 0.72 1.91 -0.21 0.00 0.04 0.00 0.00 61.00 63.46 1x5p s PRO 12 Cb -0.40 -2.76 -0.08 0.00 0.04 0.00 0.00 34.50 31.31 1x5p s PRO 12 CO 0.52 -0.29 -0.73 -2.13 0.04 0.00 0.00 177.00 174.40 1x5p n ARG 13 N 0.22 -0.44 -1.71 4.56 0.63 -1.26 -4.79 116.66 113.88 1x5p n ARG 13 Ca 0.03 -0.12 -0.43 0.00 -0.92 0.00 0.00 57.85 56.42 1x5p n ARG 13 Cb 0.46 -1.29 -0.01 0.00 0.45 0.00 0.00 32.46 32.06 1x5p n ARG 13 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1x5p n LYS 14 N 0.79 2.25 -3.36 -0.14 4.81 -1.26 -5.00 118.16 116.26 1x5p n LYS 14 Ca -0.00 0.79 -0.10 0.00 -0.87 0.00 0.00 58.31 58.13 1x5p n LYS 14 Cb 0.65 -2.45 -0.08 0.00 0.02 0.00 0.00 35.03 33.17 1x5p n LYS 14 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1x5p s GLY 15 N 0.01 -0.39 -0.13 3.14 0.00 -1.26 -5.01 107.32 103.68 1x5p s GLY 15 Ca 0.60 0.75 -0.07 0.00 0.00 0.00 0.00 44.72 46.01 1x5p s GLY 15 CO 0.57 2.66 -0.18 1.16 0.00 0.00 0.00 173.10 177.32 1x5p n ASN 16 N 5.36 0.99 -4.86 1.64 6.94 -1.26 -4.20 115.26 119.87 1x5p n ASN 16 Ca -0.03 0.17 -0.31 0.00 -0.02 0.00 0.00 54.58 54.39 1x5p n ASN 16 Cb 0.50 -0.41 -0.04 0.00 -2.36 0.00 0.00 39.78 37.47 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 -2.26 4.70 -0.03 5.53 2.01 -1.26 -1.75 115.64 122.58 1x5p s THR 17 Ca -0.19 0.84 0.01 0.00 0.31 0.00 0.00 61.69 62.67 1x5p s THR 17 Cb 0.07 -3.70 0.01 0.00 0.01 0.00 0.00 72.50 68.89 1x5p s THR 17 CO 0.24 -0.48 -0.05 -0.76 -0.69 0.00 0.00 174.62 172.88 1x5p s LEU 18 N -3.69 1.62 -0.47 4.42 1.43 -0.27 -3.90 118.68 117.81 1x5p s LEU 18 Ca 0.54 -0.12 -0.25 0.00 -1.03 0.00 0.00 54.13 53.27 1x5p s LEU 18 Cb -0.10 -0.38 0.03 0.00 0.03 0.00 0.00 46.19 45.77 1x5p s LEU 18 CO 0.28 0.00 0.94 -0.47 0.23 0.00 0.00 176.35 177.33 1x5p s TYR 19 N 0.45 2.90 0.02 0.29 6.14 0.91 -2.38 117.35 125.68 1x5p s TYR 19 Ca -0.06 0.34 0.01 0.00 0.64 0.00 0.00 57.07 58.01 1x5p s TYR 19 Cb -0.09 -4.00 -0.04 0.00 0.42 0.00 0.00 41.96 38.24 1x5p s TYR 19 CO -0.00 -1.14 0.06 0.08 0.64 0.00 0.00 175.55 175.19 1x5p s VAL 20 N 3.81 4.54 -0.02 3.14 1.01 0.15 -0.06 120.40 132.97 1x5p s VAL 20 Ca 0.37 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.79 1x5p s VAL 20 Cb -0.10 -3.09 0.03 0.00 0.00 0.00 0.00 36.38 33.21 1x5p s VAL 20 CO 0.26 0.29 0.02 -0.47 0.00 0.00 0.00 175.10 175.20 1x5p s TYR 21 N -1.22 0.13 0.26 5.22 6.14 0.90 0.07 117.35 128.84 1x5p s TYR 21 Ca 0.24 0.08 0.03 0.00 0.64 0.00 0.00 57.07 58.06 1x5p s TYR 21 Cb -0.12 -0.29 -0.01 0.00 0.42 0.00 0.00 41.96 41.96 1x5p s TYR 21 CO 0.15 -0.10 0.28 0.41 0.64 0.00 0.00 175.55 176.93 1x5p n GLY 22 N 4.14 2.85 1.27 8.97 0.00 -0.74 -1.48 105.19 120.20 1x5p n GLY 22 Ca -0.27 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.01 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 -0.47 0.00 -2.20 1.61 1.02 -1.26 -4.72 120.64 114.62 1x5p n GLU 23 Ca 0.04 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.91 1x5p n GLU 23 Cb 0.46 -0.37 0.01 0.00 -0.02 0.00 0.00 31.44 31.52 1x5p n GLU 23 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1x5p n ASP 24 N -2.97 5.10 -4.59 1.62 8.00 -1.26 -5.04 116.55 117.42 1x5p n ASP 24 Ca 0.00 -3.74 -0.23 0.00 0.71 0.00 0.00 54.79 51.52 1x5p n ASP 24 Cb 0.31 -0.47 -0.08 0.00 -0.02 0.00 0.00 41.12 40.86 1x5p n ASP 24 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1x5p s MET 25 N -3.61 2.09 0.12 -1.24 0.23 -1.26 -4.92 119.30 110.72 1x5p s MET 25 Ca 0.50 -1.54 0.05 0.00 -1.03 0.00 0.00 55.69 53.68 1x5p s MET 25 Cb 0.41 -2.03 -0.04 0.00 -1.53 0.00 0.00 34.83 31.64 1x5p s MET 25 CO -0.10 0.35 -0.13 0.95 -2.03 0.00 0.00 175.02 174.07 1x5p s THR 26 N -2.39 1.23 0.13 3.16 -4.23 -1.26 -5.05 115.64 107.22 1x5p s THR 26 Ca 0.31 -1.76 -0.32 0.00 -1.18 0.00 0.00 61.69 58.74 1x5p s THR 26 Cb -0.06 -1.55 -0.10 0.00 1.34 0.00 0.00 72.50 72.14 1x5p s THR 26 CO 0.18 -0.50 1.56 -0.65 -0.54 0.00 0.00 174.62 174.67 1x5p h PRO 27 N 3.39 -0.48 -1.05 3.99 0.11 -1.99 0.35 132.00 136.32 1x5p h PRO 27 Ca -0.39 0.03 0.28 0.00 0.11 0.00 0.00 66.00 66.04 1x5p h PRO 27 Cb 1.19 0.11 -0.07 0.00 0.11 0.00 0.00 31.00 32.34 1x5p h PRO 27 CO 0.53 -0.32 0.71 1.15 -0.21 0.00 0.00 178.00 179.87 1x5p h THR 28 N -0.50 0.50 -0.15 -1.15 2.02 -2.00 0.85 112.91 112.48 1x5p h THR 28 Ca 0.06 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.14 1x5p h THR 28 Cb 0.64 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 1x5p h THR 28 CO -0.49 0.04 0.00 0.25 0.37 0.00 0.00 175.52 175.69 1x5p h LEU 29 N 0.23 0.26 -1.93 2.58 6.46 -1.36 -2.81 115.31 118.73 1x5p h LEU 29 Ca 0.56 -0.30 -0.02 0.00 -0.12 0.00 0.00 57.88 58.00 1x5p h LEU 29 Cb 1.74 -0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 41.59 1x5p h LEU 29 CO -0.17 0.50 -0.08 -0.07 -0.62 0.00 0.00 178.44 178.00 1x5p h LEU 30 N 0.02 0.00 -0.59 2.25 3.38 -0.27 -0.73 115.31 119.37 1x5p h LEU 30 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1x5p h LEU 30 Cb 0.36 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 1x5p h LEU 30 CO 0.01 0.08 0.38 0.03 0.09 0.00 0.00 178.44 179.03 1x5p h ARG 31 N 0.00 0.79 -0.00 1.13 3.08 -1.09 0.29 114.38 118.58 1x5p h ARG 31 Ca -0.00 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1x5p h ARG 31 Cb 0.15 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.03 1x5p h ARG 31 CO 0.01 0.54 -0.51 0.41 -1.07 0.00 0.00 179.97 179.35 1x5p n GLY 32 N -1.22 -1.22 0.10 0.04 0.00 -0.90 -2.36 105.19 99.63 1x5p n GLY 32 Ca 0.04 -0.36 -0.13 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 -1.47 1.28 0.25 4.61 0.00 -0.33 -4.19 120.51 120.66 1x5p n ALA 33 Ca 0.06 -0.76 0.11 0.00 0.00 0.00 0.00 53.44 52.85 1x5p n ALA 33 Cb 0.34 -0.71 -0.06 0.00 0.00 0.00 0.00 19.45 19.01 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 -3.18 0.35 -0.10 0.00 3.01 0.98 -4.28 117.46 114.24 1x5p n PHE 34 Ca -0.24 0.10 -0.10 0.00 1.01 0.00 0.00 57.45 58.22 1x5p n PHE 34 Cb 1.06 -0.58 -0.02 0.00 -0.01 0.00 0.00 39.48 39.92 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 0.43 0.00 4.37 0.87 -1.62 -2.51 113.55 115.09 1x5p h SER 35 Ca 0.00 -0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.41 1x5p h SER 35 Cb 0.89 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.74 1x5p h SER 35 CO 0.00 0.46 0.59 -0.65 -0.53 0.00 0.00 176.83 176.70 1x5p h PRO 36 N 0.37 0.00 0.12 2.24 0.11 -1.75 0.38 132.00 133.47 1x5p h PRO 36 Ca 0.11 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.86 1x5p h PRO 36 Cb 0.16 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.25 1x5p h PRO 36 CO -0.01 0.00 -1.94 0.74 -0.21 0.00 0.00 178.00 176.58 1x5p h PHE 37 N 0.00 0.45 0.00 0.65 -1.00 -1.71 -3.51 116.94 111.82 1x5p h PHE 37 Ca 0.00 -0.33 0.00 0.00 2.81 0.00 0.00 57.97 60.45 1x5p h PHE 37 Cb 1.19 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 40.73 1x5p h PHE 37 CO 0.00 1.69 0.00 0.41 -1.61 0.00 0.00 178.31 178.80 1x5p n GLY 38 N 1.93 1.13 3.16 -1.45 0.00 0.13 -4.91 105.19 105.19 1x5p n GLY 38 Ca -0.29 0.29 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 2.30 -0.49 1.61 2.47 -1.26 -4.58 114.94 117.00 1x5p s ASN 39 Ca 0.00 -0.37 -0.16 0.00 0.42 0.00 0.00 52.86 52.74 1x5p s ASN 39 Cb 0.00 -0.58 0.07 0.00 -1.45 0.00 0.00 41.25 39.29 1x5p s ASN 39 CO 0.00 0.18 0.46 -0.63 -3.72 0.00 0.00 177.10 173.39 1x5p s ILE 40 N -0.07 5.14 -0.31 -5.21 1.01 -1.26 -2.16 121.20 118.34 1x5p s ILE 40 Ca -0.02 -0.95 0.23 0.00 0.00 0.00 0.00 60.65 59.90 1x5p s ILE 40 Cb -0.11 -4.18 -0.06 0.00 0.01 0.00 0.00 42.46 38.12 1x5p s ILE 40 CO 0.02 -0.65 1.00 2.30 0.00 0.00 0.00 174.94 177.61 1x5p n ILE 41 N 5.31 0.44 -3.36 2.92 -5.35 -0.82 -4.80 119.36 113.70 1x5p n ILE 41 Ca -0.11 -0.46 -0.11 0.00 -0.27 0.00 0.00 62.75 61.80 1x5p n ILE 41 Cb 0.44 -0.19 -0.08 0.00 -1.74 0.00 0.00 39.64 38.07 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 -4.90 0.48 -0.18 7.28 2.15 -1.24 -5.01 116.67 115.26 1x5p s ASP 42 Ca -0.00 0.02 -0.01 0.00 0.43 0.00 0.00 52.55 52.99 1x5p s ASP 42 Cb 0.11 1.00 0.05 0.00 -0.30 0.00 0.00 42.92 43.78 1x5p s ASP 42 CO 0.80 -0.32 -0.02 -0.22 -0.17 0.00 0.00 175.17 175.24 1x5p s LEU 43 N 2.51 1.62 0.05 -1.34 2.96 -1.25 0.26 118.68 123.48 1x5p s LEU 43 Ca 0.11 -0.78 0.07 0.00 -0.22 0.00 0.00 54.13 53.32 1x5p s LEU 43 Cb -0.15 -0.84 -0.03 0.00 0.50 0.00 0.00 46.19 45.67 1x5p s LEU 43 CO -0.19 -0.23 -0.19 -0.44 -1.32 0.00 0.00 176.35 173.98 1x5p s SER 44 N 1.67 2.32 0.07 3.68 0.01 -0.75 -4.97 113.70 115.73 1x5p s SER 44 Ca -0.01 -0.53 0.09 0.00 1.31 0.00 0.00 55.95 56.81 1x5p s SER 44 Cb -0.16 -0.18 -0.03 0.00 0.21 0.00 0.00 66.02 65.86 1x5p s SER 44 CO -0.07 0.12 -0.24 -0.04 0.41 0.00 0.00 173.24 173.42 1x5p s MET 45 N -1.24 1.51 -0.37 12.44 -1.94 -1.26 -0.17 119.30 128.26 1x5p s MET 45 Ca 0.06 -1.10 0.01 0.00 -1.71 0.00 0.00 55.69 52.95 1x5p s MET 45 Cb -0.09 -1.73 0.11 0.00 2.01 0.00 0.00 34.83 35.14 1x5p s MET 45 CO 0.02 0.43 0.15 -0.51 -0.01 0.00 0.00 175.02 175.10 1x5p s ASP 46 N -1.45 3.99 0.28 3.03 1.11 -0.34 -5.00 116.67 118.30 1x5p s ASP 46 Ca 0.10 -2.15 0.02 0.00 0.18 0.00 0.00 52.55 50.70 1x5p s ASP 46 Cb -0.10 -1.07 0.68 0.00 1.07 0.00 0.00 42.92 43.51 1x5p s ASP 46 CO 0.03 -0.35 1.69 -0.65 1.18 0.00 0.00 175.17 177.08 1x5p h PRO 47 N 7.43 0.36 -0.20 8.23 0.11 -1.94 0.58 132.00 146.57 1x5p h PRO 47 Ca -0.07 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 66.05 1x5p h PRO 47 Cb 0.98 -0.08 -0.07 0.00 0.11 0.00 0.00 31.00 31.94 1x5p h PRO 47 CO 0.49 0.24 -0.54 -1.35 -0.21 0.00 0.00 178.00 176.63 1x5p h PRO 48 N 0.37 -0.52 -0.17 1.05 0.11 -1.96 -1.29 132.00 129.59 1x5p h PRO 48 Ca 0.54 0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.68 1x5p h PRO 48 Cb 1.00 0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1x5p h PRO 48 CO -0.53 -0.34 0.00 0.54 -0.21 0.00 0.00 178.00 177.45 1x5p n ARG 49 N -5.42 1.88 -4.11 1.05 5.12 -0.93 -4.93 116.66 109.32 1x5p n ARG 49 Ca -0.05 -1.31 -0.34 0.00 -1.93 0.00 0.00 57.85 54.22 1x5p n ARG 49 Cb 0.37 -1.43 -0.01 0.00 -1.16 0.00 0.00 32.46 30.23 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 0.54 -3.48 -4.75 0.55 3.02 0.20 -4.87 115.26 106.46 1x5p n ASN 50 Ca 0.17 -0.94 -0.30 0.00 -0.03 0.00 0.00 54.58 53.48 1x5p n ASN 50 Cb 0.39 -3.13 -0.07 0.00 -0.61 0.00 0.00 39.78 36.36 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 -2.80 -1.23 -0.38 0.00 0.00 0.11 -1.20 121.76 116.26 1x5p s ALA 52 Ca 0.19 1.53 -0.07 0.00 0.00 0.00 0.00 51.96 53.61 1x5p s ALA 52 Cb 0.03 -0.90 0.07 0.00 0.00 0.00 0.00 23.12 22.31 1x5p s ALA 52 CO 0.10 -0.26 0.19 -0.06 0.00 0.00 0.00 175.76 175.74 1x5p s PHE 53 N 0.75 3.34 -0.24 0.00 0.08 0.76 0.31 117.98 122.97 1x5p s PHE 53 Ca -0.04 -1.61 -0.08 0.00 0.12 0.00 0.00 56.93 55.33 1x5p s PHE 53 Cb -0.05 -2.71 -0.03 0.00 -0.57 0.00 0.00 43.02 39.66 1x5p s PHE 53 CO -0.06 -0.82 0.08 0.08 -0.10 0.00 0.00 175.22 174.41 1x5p s VAL 54 N 1.38 4.49 -0.17 -0.44 1.01 -1.00 -1.80 120.40 123.87 1x5p s VAL 54 Ca 0.02 -0.11 -0.06 0.00 0.00 0.00 0.00 61.98 61.82 1x5p s VAL 54 Cb -0.22 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 1x5p s VAL 54 CO 0.02 0.35 0.02 -0.89 0.00 0.00 0.00 175.10 174.60 1x5p s THR 55 N 1.38 4.39 -0.03 3.92 2.01 0.14 -1.12 115.64 126.33 1x5p s THR 55 Ca 0.05 -0.18 -0.08 0.00 0.31 0.00 0.00 61.69 61.80 1x5p s THR 55 Cb -0.15 -2.96 -0.05 0.00 0.01 0.00 0.00 72.50 69.36 1x5p s THR 55 CO 0.04 0.47 0.25 -0.31 -0.69 0.00 0.00 174.62 174.38 1x5p s TYR 56 N 0.40 3.61 0.58 4.92 2.02 -0.72 -1.95 117.35 126.21 1x5p s TYR 56 Ca -0.00 0.61 0.28 0.00 -0.37 0.00 0.00 57.07 57.59 1x5p s TYR 56 Cb -0.13 -2.01 1.52 0.00 -0.40 0.00 0.00 41.96 40.93 1x5p s TYR 56 CO 0.01 0.66 1.98 1.49 -1.57 0.00 0.00 175.55 178.12 1x5p h GLU 57 N 4.38 0.00 -5.33 -0.62 4.57 -1.78 -3.42 114.58 112.38 1x5p h GLU 57 Ca -0.52 0.00 -0.48 0.00 -1.18 0.00 0.00 59.36 57.18 1x5p h GLU 57 Cb 1.21 0.00 -0.14 0.00 -0.16 0.00 0.00 28.75 29.66 1x5p h GLU 57 CO 0.63 0.00 -0.63 0.15 -1.18 0.00 0.00 179.01 177.98 1x5p s LYS 58 N -4.71 1.62 -0.01 1.92 -0.14 -1.26 -5.01 119.74 112.15 1x5p s LYS 58 Ca -0.05 -1.87 -0.13 0.00 -1.36 0.00 0.00 55.97 52.56 1x5p s LYS 58 Cb 0.16 -0.98 -0.33 0.00 -1.68 0.00 0.00 37.83 35.00 1x5p s LYS 58 CO 0.59 -0.11 0.84 0.00 -0.76 0.00 0.00 175.35 175.92 1x5p h MET 59 N 2.17 0.47 -0.98 1.68 -0.00 -1.82 -3.34 114.93 113.11 1x5p h MET 59 Ca -0.41 -0.80 0.33 0.00 -0.00 0.00 0.00 59.70 58.82 1x5p h MET 59 Cb 1.24 0.30 -0.17 0.00 -0.00 0.00 0.00 31.60 32.97 1x5p h MET 59 CO 0.69 1.38 0.38 1.05 -0.00 0.00 0.00 176.91 180.42 1x5p h GLU 60 N 0.13 0.11 -0.16 -0.10 4.11 -1.97 0.43 114.58 117.12 1x5p h GLU 60 Ca -0.30 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.11 1x5p h GLU 60 Cb 2.14 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 31.36 1x5p h GLU 60 CO 0.23 0.07 0.05 0.77 0.07 0.00 0.00 179.01 180.21 1x5p h SER 61 N 0.12 0.24 -0.95 3.06 0.02 -1.91 -2.39 113.55 111.73 1x5p h SER 61 Ca 0.72 -0.20 0.10 0.00 -0.84 0.00 0.00 61.79 61.57 1x5p h SER 61 Cb 1.69 -0.06 -0.12 0.00 0.14 0.00 0.00 62.40 64.05 1x5p h SER 61 CO -0.74 0.37 -0.55 0.00 -1.14 0.00 0.00 176.83 174.77 1x5p h ALA 62 N 0.87 -0.43 -0.78 3.77 0.00 -0.27 0.44 119.26 122.86 1x5p h ALA 62 Ca 0.05 0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 1x5p h ALA 62 Cb 0.22 1.29 -0.04 0.00 0.00 0.00 0.00 17.79 19.26 1x5p h ALA 62 CO -0.00 -0.91 0.34 -0.44 0.00 0.00 0.00 179.25 178.24 1x5p h ASP 63 N -0.03 1.05 0.22 0.00 3.32 -1.52 -2.39 116.42 117.08 1x5p h ASP 63 Ca 0.19 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 1x5p h ASP 63 Cb 0.46 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.74 1x5p h ASP 63 CO -0.92 0.91 -0.13 1.56 -1.72 0.00 0.00 179.24 178.94 1x5p h GLN 64 N 1.13 -0.31 -0.50 3.56 4.20 0.20 -0.69 115.11 122.70 1x5p h GLN 64 Ca 0.27 0.02 0.07 0.00 0.06 0.00 0.00 58.65 59.07 1x5p h GLN 64 Cb 0.17 0.07 -0.10 0.00 0.30 0.00 0.00 27.48 27.92 1x5p h GLN 64 CO -0.03 -0.21 -0.46 0.00 -0.67 0.00 0.00 178.83 177.46 1x5p h ALA 65 N -1.74 -0.45 0.00 3.87 0.00 -0.45 1.00 119.26 121.50 1x5p h ALA 65 Ca -0.03 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1x5p h ALA 65 Cb 0.26 0.98 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1x5p h ALA 65 CO 0.03 -0.89 0.15 0.28 0.00 0.00 0.00 179.25 178.83 1x5p h VAL 66 N -0.29 0.00 0.07 0.00 2.07 -1.44 1.52 116.25 118.19 1x5p h VAL 66 Ca 0.15 0.00 -0.33 0.00 0.82 0.00 0.00 66.70 67.33 1x5p h VAL 66 Cb 0.57 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 1x5p h VAL 66 CO -0.64 0.00 -1.87 0.00 0.02 0.00 0.00 177.57 175.08 1x5p n ALA 67 N -1.87 1.13 -0.09 1.67 0.00 0.31 -3.71 120.51 117.96 1x5p n ALA 67 Ca -0.02 -0.65 -0.11 0.00 0.00 0.00 0.00 53.44 52.65 1x5p n ALA 67 Cb 0.20 -0.76 -0.04 0.00 0.00 0.00 0.00 19.45 18.85 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 -3.30 0.53 -0.31 0.00 -0.58 0.80 -4.50 120.64 113.28 1x5p n GLU 68 Ca -0.25 0.28 0.12 0.00 -0.42 0.00 0.00 57.16 56.88 1x5p n GLU 68 Cb 1.05 -1.49 0.34 0.00 -0.57 0.00 0.00 31.44 30.77 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 0.73 -8.56 -4.62 3.38 0.18 -3.39 115.31 102.03 1x5p h LEU 69 Ca -0.11 0.05 -0.83 0.00 0.09 0.00 0.00 57.88 57.09 1x5p h LEU 69 Cb 1.01 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 1x5p h LEU 69 CO -0.06 0.35 0.88 -3.20 0.09 0.00 0.00 178.44 176.50 1x5p n ASN 70 N -4.61 1.05 -3.21 -0.43 2.85 -1.13 0.16 115.26 109.94 1x5p n ASN 70 Ca 0.19 1.01 -0.23 0.00 -0.11 0.00 0.00 54.58 55.44 1x5p n ASN 70 Cb 0.48 -0.87 0.02 0.00 1.24 0.00 0.00 39.78 40.65 1x5p n ASN 70 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1x5p n GLY 71 N 5.08 -0.51 3.95 8.20 0.00 -0.92 -4.94 105.19 116.05 1x5p n GLY 71 Ca 0.38 0.13 -0.24 0.00 0.00 0.00 0.00 46.02 46.30 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 -3.11 3.23 -0.38 2.61 -1.32 0.43 -4.88 115.64 112.22 1x5p s THR 72 Ca 0.37 -0.41 0.02 0.00 -1.21 0.00 0.00 61.69 60.45 1x5p s THR 72 Cb -0.18 -3.24 0.11 0.00 -1.51 0.00 0.00 72.50 67.68 1x5p s THR 72 CO 0.45 -0.20 0.14 -1.58 -2.21 0.00 0.00 174.62 171.23 1x5p s GLN 73 N -4.82 1.18 0.02 7.08 0.74 -1.26 -0.74 119.66 121.86 1x5p s GLN 73 Ca 0.54 -1.68 0.08 0.00 0.05 0.00 0.00 55.36 54.35 1x5p s GLN 73 Cb -0.10 -2.49 -0.03 0.00 1.10 0.00 0.00 33.01 31.49 1x5p s GLN 73 CO 0.41 -1.04 -0.22 0.14 -0.55 0.00 0.00 175.29 174.02 1x5p s VAL 74 N 0.89 2.43 -1.30 1.34 -7.23 -0.84 -4.63 120.40 111.07 1x5p s VAL 74 Ca 0.13 -1.19 0.00 0.00 -1.81 0.00 0.00 61.98 59.11 1x5p s VAL 74 Cb -0.21 -1.95 0.00 0.00 0.56 0.00 0.00 36.38 34.78 1x5p s VAL 74 CO -0.11 0.43 0.00 -0.62 -0.31 0.00 0.00 175.10 174.49 1x5p n GLU 75 N 1.91 -2.01 -2.19 4.82 -0.58 -1.26 0.01 120.64 121.35 1x5p n GLU 75 Ca -0.17 0.74 -0.13 0.00 -0.42 0.00 0.00 57.16 57.18 1x5p n GLU 75 Cb 0.52 -5.33 -0.01 0.00 -0.57 0.00 0.00 31.44 26.05 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 -1.78 -4.12 -3.73 1.62 7.64 -1.26 -5.00 113.62 106.97 1x5p n SER 76 Ca -0.18 0.01 -0.21 0.00 1.01 0.00 0.00 58.87 59.50 1x5p n SER 76 Cb 0.62 -3.27 -0.18 0.00 -1.01 0.00 0.00 64.21 60.38 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 -2.64 0.17 -0.31 0.44 1.01 0.10 -5.03 120.40 114.13 1x5p s VAL 77 Ca 0.00 0.24 -0.29 0.00 0.00 0.00 0.00 61.98 61.94 1x5p s VAL 77 Cb 0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 36.38 36.01 1x5p s VAL 77 CO 0.00 0.22 1.55 -1.10 0.00 0.00 0.00 175.10 175.77 1x5p s GLN 78 N 1.98 3.66 -0.12 2.72 -0.21 -1.26 -1.98 119.66 124.45 1x5p s GLN 78 Ca 0.04 1.35 -0.08 0.00 0.02 0.00 0.00 55.36 56.69 1x5p s GLN 78 Cb -0.12 -4.04 -0.04 0.00 1.00 0.00 0.00 33.01 29.80 1x5p s GLN 78 CO -0.04 -1.46 0.16 -0.51 -2.12 0.00 0.00 175.29 171.32 1x5p s LEU 79 N 5.49 4.37 -0.26 2.90 1.43 0.08 -4.64 118.68 128.05 1x5p s LEU 79 Ca 0.68 0.47 0.03 0.00 -1.03 0.00 0.00 54.13 54.28 1x5p s LEU 79 Cb -0.20 -2.12 0.06 0.00 0.03 0.00 0.00 46.19 43.97 1x5p s LEU 79 CO 0.30 0.37 -0.09 -0.54 0.23 0.00 0.00 176.35 176.62 1x5p s LYS 80 N -0.82 2.10 0.02 1.70 3.01 -0.55 -2.07 119.74 123.14 1x5p s LYS 80 Ca 0.15 -1.32 0.02 0.00 -1.01 0.00 0.00 55.97 53.81 1x5p s LYS 80 Cb -0.12 -2.85 -0.04 0.00 -1.01 0.00 0.00 37.83 33.81 1x5p s LYS 80 CO 0.04 -0.59 -0.00 0.08 0.51 0.00 0.00 175.35 175.38 1x5p s VAL 81 N 1.14 4.10 0.06 3.17 1.01 -1.26 -0.07 120.40 128.56 1x5p s VAL 81 Ca -0.08 -0.69 -0.07 0.00 0.00 0.00 0.00 61.98 61.14 1x5p s VAL 81 Cb -0.20 -2.85 -0.01 0.00 0.00 0.00 0.00 36.38 33.32 1x5p s VAL 81 CO -0.05 0.32 0.14 0.20 0.00 0.00 0.00 175.10 175.71 1x5p s ASN 82 N -1.71 0.17 -0.78 3.32 -0.87 0.92 -4.58 114.94 111.41 1x5p s ASN 82 Ca 0.21 -0.63 -0.26 0.00 -1.57 0.00 0.00 52.86 50.61 1x5p s ASN 82 Cb -0.12 0.29 0.02 0.00 -0.02 0.00 0.00 41.25 41.42 1x5p s ASN 82 CO 0.12 -0.64 1.48 -0.63 -2.57 0.00 0.00 177.10 174.86 1x5p s ILE 83 N -3.42 3.67 -0.19 0.60 -1.09 -1.26 -0.06 121.20 119.45 1x5p s ILE 83 Ca 0.02 0.08 -0.39 0.00 -2.23 0.00 0.00 60.65 58.12 1x5p s ILE 83 Cb 0.03 -4.68 -0.16 0.00 -1.58 0.00 0.00 42.46 36.07 1x5p s ILE 83 CO -0.08 -1.62 1.67 0.00 -1.23 0.00 0.00 174.94 173.67 1x5p n ALA 84 N 10.31 -0.27 -0.12 9.38 0.00 -1.25 -4.85 120.51 133.69 1x5p n ALA 84 Ca 0.15 0.41 -0.12 0.00 0.00 0.00 0.00 53.44 53.88 1x5p n ALA 84 Cb 0.50 -2.21 -0.00 0.00 0.00 0.00 0.00 19.45 17.73 1x5p n ALA 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x5p h ARG 85 N 6.76 0.93 -5.86 0.00 2.47 -1.94 -3.38 114.38 113.36 1x5p h ARG 85 Ca -0.47 -0.46 -0.44 0.00 -1.26 0.00 0.00 59.98 57.35 1x5p h ARG 85 Cb 1.32 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 29.57 1x5p h ARG 85 CO 0.92 1.12 1.15 0.21 0.56 0.00 0.00 179.97 183.93 1x5p s LYS 86 N -4.46 3.04 -0.61 0.04 2.20 -1.26 -4.85 119.74 113.83 1x5p s LYS 86 Ca -0.11 -0.79 0.05 0.00 -0.36 0.00 0.00 55.97 54.77 1x5p s LYS 86 Cb 0.12 -5.22 0.19 0.00 -1.51 0.00 0.00 37.83 31.41 1x5p s LYS 86 CO 0.87 -2.91 0.52 1.04 -0.36 0.00 0.00 175.35 174.52 1x5p n GLN 87 N 8.79 1.60 -0.91 4.03 6.02 -1.26 -5.03 117.38 130.63 1x5p n GLN 87 Ca 0.38 -4.19 -0.26 0.00 -0.01 0.00 0.00 57.00 52.92 1x5p n GLN 87 Cb 0.48 -2.09 0.22 0.00 1.02 0.00 0.00 30.24 29.88 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 1.83 -2.88 -1.69 -1.09 -0.04 -1.26 -4.85 135.00 125.02 1x5p n PRO 88 Ca 0.24 -1.52 -0.35 0.00 -0.04 0.00 0.00 63.50 61.83 1x5p n PRO 88 Cb 0.40 -1.43 -0.03 0.00 -0.04 0.00 0.00 33.50 32.40 1x5p n PRO 88 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x5p s MET 89 N -5.16 2.21 -0.01 0.54 0.23 -1.26 -4.92 119.30 110.92 1x5p s MET 89 Ca 0.62 1.13 0.03 0.00 -1.03 0.00 0.00 55.69 56.44 1x5p s MET 89 Cb -0.06 -4.56 -0.01 0.00 -1.53 0.00 0.00 34.83 28.68 1x5p s MET 89 CO 0.47 -3.21 -0.10 -0.51 -2.03 0.00 0.00 175.02 169.64 1x5p s LEU 90 N 11.55 1.97 0.37 0.18 1.43 -1.26 -5.15 118.68 127.77 1x5p s LEU 90 Ca 0.89 -0.18 0.04 0.00 -1.03 0.00 0.00 54.13 53.85 1x5p s LEU 90 Cb -0.15 -0.53 -0.03 0.00 0.03 0.00 0.00 46.19 45.51 1x5p s LEU 90 CO 0.23 0.11 0.14 -0.62 0.23 0.00 0.00 176.35 176.44 1x5p s ASP 91 N -0.14 2.43 -0.03 2.29 2.15 -1.26 -5.12 116.67 116.99 1x5p s ASP 91 Ca 0.02 -1.63 0.01 0.00 0.43 0.00 0.00 52.55 51.38 1x5p s ASP 91 Cb -0.05 0.43 0.02 0.00 -0.30 0.00 0.00 42.92 43.02 1x5p s ASP 91 CO -0.00 -0.90 -0.01 -0.94 -0.17 0.00 0.00 175.17 173.14 1x5p s SER 92 N -3.53 0.51 0.12 -0.34 1.04 -1.26 -5.15 113.70 105.09 1x5p s SER 92 Ca 0.28 -0.05 -0.10 0.00 0.48 0.00 0.00 55.95 56.56 1x5p s SER 92 Cb 0.04 -0.24 -0.06 0.00 0.10 0.00 0.00 66.02 65.86 1x5p s SER 92 CO 0.16 -0.07 0.44 -0.83 0.98 0.00 0.00 173.24 173.93 1x5p s GLY 93 N 0.80 2.33 0.00 7.32 0.00 -1.26 -4.96 107.32 111.56 1x5p s GLY 93 Ca -0.09 -0.35 0.16 0.00 0.00 0.00 0.00 44.72 44.44 1x5p s GLY 93 CO -0.01 -0.16 1.35 -1.55 0.00 0.00 0.00 173.10 172.73 1x5p n PRO 94 N 0.60 0.46 -1.69 2.90 -0.04 -1.26 -4.83 135.00 131.15 1x5p n PRO 94 Ca -0.05 0.02 -0.54 0.00 -0.04 0.00 0.00 63.50 62.89 1x5p n PRO 94 Cb 0.52 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.42 1x5p n PRO 94 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x5p n SER 95 N -1.03 2.65 -0.37 3.54 2.88 -1.26 -4.83 113.62 115.20 1x5p n SER 95 Ca 0.11 1.05 -0.04 0.00 -1.33 0.00 0.00 58.87 58.66 1x5p n SER 95 Cb 0.06 -1.23 -0.01 0.00 -0.75 0.00 0.00 64.21 62.28 1x5p n SER 95 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x5p n SER 96 N 5.32 -0.74 -0.43 -3.46 7.64 -1.26 -5.25 113.62 115.44 1x5p n SER 96 Ca 0.24 1.62 0.14 0.00 1.01 0.00 0.00 58.87 61.88 1x5p n SER 96 Cb 0.19 -0.31 0.57 0.00 -1.01 0.00 0.00 64.21 63.65 1x5p n SER 96 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64