#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 5.22 0.42 1.61 0.15 -1.26 -4.97 113.70 114.88 1x5p s SER 2 Ca 0.00 -0.33 0.17 0.00 0.70 0.00 0.00 55.95 56.50 1x5p s SER 2 Cb 0.00 -1.93 0.96 0.00 -1.71 0.00 0.00 66.02 63.33 1x5p s SER 2 CO 0.00 -0.08 1.91 0.77 1.20 0.00 0.00 173.24 177.04 1x5p h SER 3 N 8.26 0.00 0.00 5.45 4.64 -2.08 -3.45 113.55 126.37 1x5p h SER 3 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1x5p h SER 3 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1x5p h SER 3 CO 0.59 0.27 0.00 0.61 -0.87 0.00 0.00 176.83 177.43 1x5p n GLY 4 N -0.54 0.24 3.67 -0.77 0.00 -1.26 -4.69 105.19 101.83 1x5p n GLY 4 Ca -0.02 0.55 -0.48 0.00 0.00 0.00 0.00 46.02 46.06 1x5p n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x5p n SER 5 N 1.39 3.03 -4.68 1.61 2.88 -1.26 -4.90 113.62 111.68 1x5p n SER 5 Ca 0.00 1.04 -0.42 0.00 -1.33 0.00 0.00 58.87 58.16 1x5p n SER 5 Cb 0.00 -1.36 -0.03 0.00 -0.75 0.00 0.00 64.21 62.08 1x5p n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x5p s SER 6 N 2.32 7.02 0.00 -3.46 1.04 -1.26 -4.78 113.70 114.59 1x5p s SER 6 Ca 0.86 1.81 0.00 0.00 0.48 0.00 0.00 55.95 59.10 1x5p s SER 6 Cb -0.74 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 62.82 1x5p s SER 6 CO 0.46 -0.62 0.00 0.61 0.98 0.00 0.00 173.24 174.68 1x5p n GLY 7 N 3.42 0.05 2.36 7.32 0.00 -1.26 -4.93 105.19 112.15 1x5p n GLY 7 Ca 0.11 -0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 1x5p n GLY 7 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1x5p n GLU 8 N -1.67 3.21 -1.40 1.61 2.13 -1.26 -4.45 120.64 118.80 1x5p n GLU 8 Ca 0.00 -2.40 -0.15 0.00 0.66 0.00 0.00 57.16 55.26 1x5p n GLU 8 Cb 0.00 -2.37 0.10 0.00 0.27 0.00 0.00 31.44 29.44 1x5p n GLU 8 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1x5p n ARG 9 N 1.89 2.72 -1.66 5.31 5.12 -1.26 -5.06 116.66 123.72 1x5p n ARG 9 Ca 0.57 -3.69 -0.44 0.00 -1.93 0.00 0.00 57.85 52.36 1x5p n ARG 9 Cb 0.48 -2.05 -0.02 0.00 -1.16 0.00 0.00 32.46 29.71 1x5p n ARG 9 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 1x5p n ARG 10 N -0.91 1.87 -2.31 5.56 3.00 -1.26 -4.98 116.66 117.63 1x5p n ARG 10 Ca 0.39 0.66 -0.27 0.00 -0.00 0.00 0.00 57.85 58.63 1x5p n ARG 10 Cb 0.90 -2.21 0.03 0.00 0.00 0.00 0.00 32.46 31.18 1x5p n ARG 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1x5p s ALA 11 N -0.73 3.23 0.75 5.13 0.00 -1.26 -5.06 121.76 123.82 1x5p s ALA 11 Ca 0.61 -0.60 -0.11 0.00 0.00 0.00 0.00 51.96 51.85 1x5p s ALA 11 Cb -0.64 -2.69 0.05 0.00 0.00 0.00 0.00 23.12 19.84 1x5p s ALA 11 CO 0.57 -0.82 1.09 -1.25 0.00 0.00 0.00 175.76 175.36 1x5p s PRO 12 N -5.04 2.36 -0.12 0.00 0.04 -1.26 -5.05 135.00 125.92 1x5p s PRO 12 Ca 0.54 1.21 -0.01 0.00 0.04 0.00 0.00 61.00 62.78 1x5p s PRO 12 Cb -0.11 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.51 1x5p s PRO 12 CO 0.46 -1.57 -0.09 1.03 0.04 0.00 0.00 177.00 176.88 1x5p s ARG 13 N -4.75 3.34 0.09 4.56 3.00 -1.26 -5.07 118.95 118.86 1x5p s ARG 13 Ca 0.62 -0.60 -0.35 0.00 0.00 0.00 0.00 55.73 55.40 1x5p s ARG 13 Cb -0.18 -2.71 -0.18 0.00 0.00 0.00 0.00 34.95 31.88 1x5p s ARG 13 CO 0.53 0.32 0.99 1.63 0.00 0.00 0.00 175.30 178.78 1x5p n LYS 14 N 3.24 0.37 -4.23 3.54 5.02 -1.26 -4.97 118.16 119.87 1x5p n LYS 14 Ca -0.18 0.13 -0.16 0.00 -2.02 0.00 0.00 58.31 56.09 1x5p n LYS 14 Cb 0.53 -1.53 -0.11 0.00 -0.02 0.00 0.00 35.03 33.90 1x5p n LYS 14 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1x5p s GLY 15 N -0.18 1.04 -0.06 0.72 0.00 -1.26 -5.05 107.32 102.52 1x5p s GLY 15 Ca 0.80 -1.34 0.01 0.00 0.00 0.00 0.00 44.72 44.19 1x5p s GLY 15 CO 0.55 -1.42 -0.05 -2.01 0.00 0.00 0.00 173.10 170.17 1x5p n ASN 16 N 0.28 3.55 -4.88 1.64 5.15 -1.26 -4.26 115.26 115.48 1x5p n ASN 16 Ca -0.14 -0.03 -0.30 0.00 -0.60 0.00 0.00 54.58 53.51 1x5p n ASN 16 Cb 0.58 -0.04 -0.02 0.00 -0.53 0.00 0.00 39.78 39.78 1x5p n ASN 16 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1x5p s THR 17 N -2.12 4.78 -0.04 -0.44 2.01 -1.26 -2.27 115.64 116.30 1x5p s THR 17 Ca -0.08 0.62 -0.00 0.00 0.31 0.00 0.00 61.69 62.54 1x5p s THR 17 Cb 0.02 -3.77 0.03 0.00 0.01 0.00 0.00 72.50 68.79 1x5p s THR 17 CO 0.14 -0.66 -0.00 -0.76 -0.69 0.00 0.00 174.62 172.66 1x5p s LEU 18 N -4.16 0.93 -0.60 4.42 1.43 -0.10 -3.80 118.68 116.80 1x5p s LEU 18 Ca 0.52 -0.05 -0.28 0.00 -1.03 0.00 0.00 54.13 53.28 1x5p s LEU 18 Cb -0.10 -0.32 0.03 0.00 0.03 0.00 0.00 46.19 45.83 1x5p s LEU 18 CO 0.36 -0.13 1.20 -0.47 0.23 0.00 0.00 176.35 177.54 1x5p s TYR 19 N 1.38 2.57 -0.04 0.29 6.14 0.14 -1.87 117.35 125.97 1x5p s TYR 19 Ca -0.04 0.36 -0.11 0.00 0.64 0.00 0.00 57.07 57.92 1x5p s TYR 19 Cb -0.13 -4.53 -0.05 0.00 0.42 0.00 0.00 41.96 37.67 1x5p s TYR 19 CO -0.02 -1.64 0.30 0.08 0.64 0.00 0.00 175.55 174.91 1x5p s VAL 20 N 5.04 5.22 -0.12 3.14 1.01 0.69 -0.75 120.40 134.63 1x5p s VAL 20 Ca 0.42 0.56 -0.01 0.00 0.00 0.00 0.00 61.98 62.94 1x5p s VAL 20 Cb -0.07 -3.59 0.04 0.00 0.00 0.00 0.00 36.38 32.75 1x5p s VAL 20 CO 0.24 0.57 -0.01 -0.47 0.00 0.00 0.00 175.10 175.43 1x5p s TYR 21 N -1.09 1.10 0.32 5.22 5.04 0.12 -0.09 117.35 127.97 1x5p s TYR 21 Ca 0.21 -0.60 0.06 0.00 -2.44 0.00 0.00 57.07 54.30 1x5p s TYR 21 Cb -0.15 -1.03 -0.03 0.00 0.35 0.00 0.00 41.96 41.10 1x5p s TYR 21 CO 0.10 -0.48 0.25 0.20 -1.34 0.00 0.00 175.55 174.28 1x5p s GLY 22 N 1.83 2.27 0.00 8.97 0.00 -1.11 -1.01 107.32 118.27 1x5p s GLY 22 Ca 0.03 -1.97 0.00 0.00 0.00 0.00 0.00 44.72 42.77 1x5p s GLY 22 CO -0.07 -1.49 0.00 1.18 0.00 0.00 0.00 173.10 172.72 1x5p n GLU 23 N -0.61 0.00 -2.20 2.90 4.71 -1.26 -4.53 120.64 119.65 1x5p n GLU 23 Ca 0.06 0.00 -0.39 0.00 -0.01 0.00 0.00 57.16 56.82 1x5p n GLU 23 Cb 0.63 -0.05 0.03 0.00 -1.01 0.00 0.00 31.44 31.04 1x5p n GLU 23 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 1x5p n ASP 24 N -2.43 7.22 -4.31 1.62 -0.08 -1.26 -4.97 116.55 112.34 1x5p n ASP 24 Ca 0.00 -3.78 -0.25 0.00 -1.51 0.00 0.00 54.79 49.25 1x5p n ASP 24 Cb 0.00 -1.05 -0.13 0.00 2.34 0.00 0.00 41.12 42.29 1x5p n ASP 24 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1x5p s MET 25 N -4.10 1.20 0.23 -0.67 0.23 -1.26 -4.93 119.30 110.00 1x5p s MET 25 Ca 0.48 -1.22 0.10 0.00 -1.03 0.00 0.00 55.69 54.02 1x5p s MET 25 Cb 0.36 -1.52 -0.05 0.00 -1.53 0.00 0.00 34.83 32.10 1x5p s MET 25 CO -0.31 0.35 -0.19 0.95 -2.03 0.00 0.00 175.02 173.79 1x5p s THR 26 N -1.18 2.18 0.16 3.16 -4.23 -1.26 -5.05 115.64 109.41 1x5p s THR 26 Ca 0.09 -2.24 -0.25 0.00 -1.18 0.00 0.00 61.69 58.11 1x5p s THR 26 Cb -0.10 -2.15 0.03 0.00 1.34 0.00 0.00 72.50 71.62 1x5p s THR 26 CO 0.05 -0.40 1.59 -0.65 -0.54 0.00 0.00 174.62 174.66 1x5p h PRO 27 N 2.60 -0.29 -1.08 3.99 0.11 -1.99 0.20 132.00 135.54 1x5p h PRO 27 Ca -0.41 0.02 0.30 0.00 0.11 0.00 0.00 66.00 66.02 1x5p h PRO 27 Cb 1.24 0.07 -0.11 0.00 0.11 0.00 0.00 31.00 32.30 1x5p h PRO 27 CO 0.58 -0.20 0.68 1.15 -0.21 0.00 0.00 178.00 180.00 1x5p h THR 28 N -0.31 0.44 0.20 -1.15 2.02 -2.00 0.11 112.91 112.23 1x5p h THR 28 Ca 0.15 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.20 1x5p h THR 28 Cb 0.57 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.02 1x5p h THR 28 CO -0.54 0.07 -0.10 0.25 0.37 0.00 0.00 175.52 175.57 1x5p h LEU 29 N 0.36 -0.23 -2.08 2.58 6.46 -1.38 -2.92 115.31 118.10 1x5p h LEU 29 Ca 0.65 -0.21 0.05 0.00 -0.12 0.00 0.00 57.88 58.25 1x5p h LEU 29 Cb 1.67 0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 41.65 1x5p h LEU 29 CO -0.37 0.10 0.13 -0.07 -0.62 0.00 0.00 178.44 177.61 1x5p h LEU 30 N -0.59 0.00 -0.33 2.25 3.38 -0.56 -1.02 115.31 118.44 1x5p h LEU 30 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1x5p h LEU 30 Cb 0.43 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1x5p h LEU 30 CO 0.05 0.00 0.22 0.03 0.09 0.00 0.00 178.44 178.82 1x5p h ARG 31 N 0.00 0.44 -0.01 1.13 3.08 -0.90 0.33 114.38 118.46 1x5p h ARG 31 Ca 0.08 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1x5p h ARG 31 Cb 0.34 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1x5p h ARG 31 CO -0.00 0.30 -0.21 0.41 -1.07 0.00 0.00 179.97 179.40 1x5p n GLY 32 N -1.17 -0.82 0.10 0.04 0.00 -0.74 -2.00 105.19 100.60 1x5p n GLY 32 Ca -0.01 -0.34 -0.11 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 -0.87 1.45 -0.03 4.61 0.00 -0.47 -4.39 120.51 120.82 1x5p n ALA 33 Ca 0.12 -1.10 -0.02 0.00 0.00 0.00 0.00 53.44 52.45 1x5p n ALA 33 Cb 0.32 -0.40 -0.13 0.00 0.00 0.00 0.00 19.45 19.23 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 0.38 -0.19 0.00 3.01 0.11 -4.34 117.46 113.50 1x5p n PHE 34 Ca -0.30 0.13 -0.01 0.00 1.01 0.00 0.00 57.45 58.28 1x5p n PHE 34 Cb 1.10 -0.92 0.09 0.00 -0.01 0.00 0.00 39.48 39.75 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 0.16 -1.16 4.37 0.87 -1.54 -1.01 113.55 115.24 1x5p h SER 35 Ca -0.28 0.08 0.33 0.00 -1.23 0.00 0.00 61.79 60.69 1x5p h SER 35 Cb 1.71 0.07 -0.07 0.00 -0.44 0.00 0.00 62.40 63.68 1x5p h SER 35 CO 0.03 0.10 0.81 -0.65 -0.53 0.00 0.00 176.83 176.59 1x5p h PRO 36 N 0.36 0.11 0.19 2.24 0.11 -1.76 0.15 132.00 133.41 1x5p h PRO 36 Ca 0.29 -0.01 -0.33 0.00 0.11 0.00 0.00 66.00 66.06 1x5p h PRO 36 Cb 0.36 -0.03 0.02 0.00 0.11 0.00 0.00 31.00 31.46 1x5p h PRO 36 CO -0.31 0.08 -1.54 0.74 -0.21 0.00 0.00 178.00 176.76 1x5p h PHE 37 N 0.12 0.75 -0.68 0.65 -1.00 -1.45 -3.50 116.94 111.82 1x5p h PHE 37 Ca 0.59 -0.54 0.00 0.00 2.81 0.00 0.00 57.97 60.83 1x5p h PHE 37 Cb 2.08 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 41.61 1x5p h PHE 37 CO -0.00 1.52 0.00 0.41 -1.61 0.00 0.00 178.31 178.63 1x5p n GLY 38 N 1.72 1.67 3.61 -1.45 0.00 0.54 -4.85 105.19 106.43 1x5p n GLY 38 Ca -0.18 -0.72 -0.39 0.00 0.00 0.00 0.00 46.02 44.73 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 1.38 6.25 -0.49 1.61 2.47 -1.26 -4.03 114.94 120.86 1x5p s ASN 39 Ca 0.00 0.29 -0.28 0.00 0.42 0.00 0.00 52.86 53.29 1x5p s ASN 39 Cb 0.00 -2.20 0.03 0.00 -1.45 0.00 0.00 41.25 37.63 1x5p s ASN 39 CO 0.00 -0.15 1.09 -0.63 -3.72 0.00 0.00 177.10 173.68 1x5p s ILE 40 N 1.93 4.25 -0.19 -5.21 1.01 -1.26 -2.21 121.20 119.52 1x5p s ILE 40 Ca 0.15 1.04 0.17 0.00 0.00 0.00 0.00 60.65 62.01 1x5p s ILE 40 Cb -0.16 -4.58 -0.25 0.00 0.01 0.00 0.00 42.46 37.49 1x5p s ILE 40 CO 0.10 -1.01 0.10 2.30 0.00 0.00 0.00 174.94 176.42 1x5p n ILE 41 N 6.71 1.40 -3.67 2.92 -5.35 -1.15 -4.87 119.36 115.36 1x5p n ILE 41 Ca 0.10 -0.85 -0.28 0.00 -0.27 0.00 0.00 62.75 61.45 1x5p n ILE 41 Cb 0.49 -0.51 -0.16 0.00 -1.74 0.00 0.00 39.64 37.72 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 -5.54 3.01 -0.22 7.28 2.15 -1.26 -5.01 116.67 117.08 1x5p s ASP 42 Ca -0.10 -0.95 -0.00 0.00 0.43 0.00 0.00 52.55 51.93 1x5p s ASP 42 Cb 0.06 -0.50 0.06 0.00 -0.30 0.00 0.00 42.92 42.24 1x5p s ASP 42 CO 0.83 -0.35 -0.04 -0.22 -0.17 0.00 0.00 175.17 175.22 1x5p s LEU 43 N 1.94 2.24 -0.05 -1.34 2.96 -1.26 0.06 118.68 123.23 1x5p s LEU 43 Ca 0.03 -1.08 0.05 0.00 -0.22 0.00 0.00 54.13 52.91 1x5p s LEU 43 Cb -0.17 -1.05 -0.02 0.00 0.50 0.00 0.00 46.19 45.46 1x5p s LEU 43 CO -0.15 -0.25 -0.20 -0.44 -1.32 0.00 0.00 176.35 173.99 1x5p s SER 44 N 1.50 3.48 -0.08 3.68 0.01 -1.00 -4.97 113.70 116.33 1x5p s SER 44 Ca -0.05 -0.38 0.03 0.00 1.31 0.00 0.00 55.95 56.87 1x5p s SER 44 Cb -0.18 -0.80 0.01 0.00 0.21 0.00 0.00 66.02 65.25 1x5p s SER 44 CO -0.07 0.29 -0.17 -0.04 0.41 0.00 0.00 173.24 173.66 1x5p s MET 45 N -0.40 2.21 -0.40 12.44 -1.94 -1.26 -0.55 119.30 129.39 1x5p s MET 45 Ca 0.04 -0.60 0.03 0.00 -1.71 0.00 0.00 55.69 53.45 1x5p s MET 45 Cb -0.12 -1.75 0.11 0.00 2.01 0.00 0.00 34.83 35.09 1x5p s MET 45 CO 0.02 0.10 0.15 0.34 -0.01 0.00 0.00 175.02 175.61 1x5p s ASP 46 N 0.50 4.35 0.28 3.03 2.15 -0.05 -4.99 116.67 121.95 1x5p s ASP 46 Ca -0.15 -2.40 0.02 0.00 0.43 0.00 0.00 52.55 50.45 1x5p s ASP 46 Cb -0.16 -1.42 0.68 0.00 -0.30 0.00 0.00 42.92 41.72 1x5p s ASP 46 CO 0.06 -0.32 1.69 -0.65 -0.17 0.00 0.00 175.17 175.77 1x5p h PRO 47 N 7.23 0.36 -0.11 4.34 0.11 -1.96 -0.03 132.00 141.94 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 0.56 0.24 -0.30 -1.35 -0.21 0.00 0.00 178.00 176.93 1x5p h PRO 48 N 0.37 -0.29 0.00 1.05 0.11 -1.94 -0.13 132.00 131.17 1x5p h PRO 48 Ca 0.53 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.66 1x5p h PRO 48 Cb 1.00 0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1x5p h PRO 48 CO -0.53 -0.19 0.00 0.54 -0.21 0.00 0.00 178.00 177.61 1x5p n ARG 49 N -4.14 0.75 -3.86 1.05 3.00 -1.03 -4.89 116.66 107.53 1x5p n ARG 49 Ca -0.03 0.01 -0.27 0.00 -0.01 0.00 0.00 57.85 57.55 1x5p n ARG 49 Cb 0.20 -1.50 0.02 0.00 0.00 0.00 0.00 32.46 31.18 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 -1.08 -3.15 -3.60 0.55 4.13 -0.05 -4.96 115.26 107.11 1x5p n ASN 50 Ca 0.19 -0.82 -0.14 0.00 1.68 0.00 0.00 54.58 55.48 1x5p n ASN 50 Cb 0.13 -3.82 -0.07 0.00 -1.54 0.00 0.00 39.78 34.49 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 -3.54 -0.31 -0.29 0.00 0.00 0.87 -0.87 121.76 117.62 1x5p s ALA 52 Ca 0.34 -0.85 -0.02 0.00 0.00 0.00 0.00 51.96 51.43 1x5p s ALA 52 Cb 0.02 1.03 0.10 0.00 0.00 0.00 0.00 23.12 24.27 1x5p s ALA 52 CO 0.19 -0.88 0.10 -0.06 0.00 0.00 0.00 175.76 175.11 1x5p s PHE 53 N -3.84 1.26 -0.20 0.00 0.08 0.28 -0.22 117.98 115.35 1x5p s PHE 53 Ca 0.21 -1.42 -0.15 0.00 0.12 0.00 0.00 56.93 55.69 1x5p s PHE 53 Cb -0.02 -1.43 -0.04 0.00 -0.57 0.00 0.00 43.02 40.96 1x5p s PHE 53 CO 0.10 -0.84 0.35 0.08 -0.10 0.00 0.00 175.22 174.81 1x5p s VAL 54 N 1.77 5.24 -0.01 -0.44 1.01 -0.78 -2.37 120.40 124.82 1x5p s VAL 54 Ca 0.09 0.61 0.01 0.00 0.00 0.00 0.00 61.98 62.69 1x5p s VAL 54 Cb -0.17 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 1x5p s VAL 54 CO -0.27 0.29 0.01 -0.89 0.00 0.00 0.00 175.10 174.24 1x5p s THR 55 N 1.12 4.26 -0.01 3.92 2.01 0.11 -0.92 115.64 126.12 1x5p s THR 55 Ca 0.17 -0.54 0.04 0.00 0.31 0.00 0.00 61.69 61.68 1x5p s THR 55 Cb -0.14 -2.89 -0.03 0.00 0.01 0.00 0.00 72.50 69.44 1x5p s THR 55 CO 0.07 0.39 -0.13 -0.31 -0.69 0.00 0.00 174.62 173.96 1x5p s TYR 56 N -1.08 2.73 0.65 4.92 2.02 -0.96 -2.92 117.35 122.71 1x5p s TYR 56 Ca 0.19 -0.14 0.33 0.00 -0.37 0.00 0.00 57.07 57.08 1x5p s TYR 56 Cb -0.12 -1.59 1.79 0.00 -0.40 0.00 0.00 41.96 41.64 1x5p s TYR 56 CO 0.10 0.26 2.04 1.49 -1.57 0.00 0.00 175.55 177.87 1x5p h GLU 57 N 4.92 0.00 -5.16 -0.62 4.81 -1.79 -3.41 114.58 113.33 1x5p h GLU 57 Ca -0.47 0.00 -0.37 0.00 -0.13 0.00 0.00 59.36 58.38 1x5p h GLU 57 Cb 1.16 0.00 -0.20 0.00 0.63 0.00 0.00 28.75 30.34 1x5p h GLU 57 CO 0.51 0.00 -0.76 0.15 -0.73 0.00 0.00 179.01 178.18 1x5p s LYS 58 N -4.25 0.82 0.42 1.92 1.02 -1.26 -5.03 119.74 113.39 1x5p s LYS 58 Ca -0.04 -1.03 0.23 0.00 0.02 0.00 0.00 55.97 55.15 1x5p s LYS 58 Cb 0.11 -0.70 0.76 0.00 -0.52 0.00 0.00 37.83 37.49 1x5p s LYS 58 CO 0.37 0.14 1.76 0.00 -0.92 0.00 0.00 175.35 176.70 1x5p h MET 59 N 3.99 0.00 -0.81 1.68 -0.00 -1.80 -3.16 114.93 114.83 1x5p h MET 59 Ca -0.39 0.00 0.03 0.00 -0.00 0.00 0.00 59.70 59.34 1x5p h MET 59 Cb 1.19 0.00 -0.05 0.00 -0.00 0.00 0.00 31.60 32.74 1x5p h MET 59 CO 0.45 0.23 0.52 1.05 -0.00 0.00 0.00 176.91 179.16 1x5p h GLU 60 N 0.00 0.99 -0.31 -0.10 4.11 -1.96 -1.83 114.58 115.48 1x5p h GLU 60 Ca -0.00 -0.06 -0.06 0.00 0.07 0.00 0.00 59.36 59.31 1x5p h GLU 60 Cb 0.86 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 1x5p h GLU 60 CO 0.03 0.65 -0.07 0.77 0.07 0.00 0.00 179.01 180.47 1x5p h SER 61 N 1.02 0.48 -0.10 3.06 0.02 -1.88 -2.68 113.55 113.47 1x5p h SER 61 Ca 0.32 -0.11 0.03 0.00 -0.84 0.00 0.00 61.79 61.20 1x5p h SER 61 Cb -0.00 -0.13 -0.06 0.00 0.14 0.00 0.00 62.40 62.35 1x5p h SER 61 CO -0.11 0.60 -0.52 0.00 -1.14 0.00 0.00 176.83 175.65 1x5p h ALA 62 N 1.46 -0.86 -0.36 3.77 0.00 -1.43 0.24 119.26 122.08 1x5p h ALA 62 Ca 0.10 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1x5p h ALA 62 Cb 0.41 0.96 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 1x5p h ALA 62 CO 0.02 -1.07 0.00 0.22 0.00 0.00 0.00 179.25 178.42 1x5p h ASP 63 N -0.59 0.53 0.19 0.00 3.58 -1.55 -2.34 116.42 116.23 1x5p h ASP 63 Ca 0.04 -0.10 -0.01 0.00 0.42 0.00 0.00 57.03 57.37 1x5p h ASP 63 Cb 0.69 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.60 1x5p h ASP 63 CO -0.41 0.60 -0.09 1.56 -2.88 0.00 0.00 179.24 178.02 1x5p h GLN 64 N 0.54 -0.24 -0.40 0.28 4.20 -0.88 -2.00 115.11 116.62 1x5p h GLN 64 Ca 0.12 0.02 0.08 0.00 0.06 0.00 0.00 58.65 58.92 1x5p h GLN 64 Cb 0.34 0.05 -0.09 0.00 0.30 0.00 0.00 27.48 28.09 1x5p h GLN 64 CO 0.01 -0.16 -0.34 0.00 -0.67 0.00 0.00 178.83 177.67 1x5p h ALA 65 N -1.88 -0.22 0.00 3.87 0.00 -0.63 0.70 119.26 121.10 1x5p h ALA 65 Ca -0.03 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1x5p h ALA 65 Cb 0.19 0.73 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1x5p h ALA 65 CO 0.04 -0.75 0.20 0.28 0.00 0.00 0.00 179.25 179.03 1x5p h VAL 66 N -0.27 0.00 0.07 0.00 2.07 -1.46 1.09 116.25 117.75 1x5p h VAL 66 Ca 0.17 0.00 -0.34 0.00 0.82 0.00 0.00 66.70 67.35 1x5p h VAL 66 Cb 0.55 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 1x5p h VAL 66 CO -0.54 0.00 -1.91 0.00 0.02 0.00 0.00 177.57 175.14 1x5p n ALA 67 N -1.69 1.16 -0.09 1.67 0.00 0.23 -3.79 120.51 118.01 1x5p n ALA 67 Ca -0.01 -0.70 -0.10 0.00 0.00 0.00 0.00 53.44 52.63 1x5p n ALA 67 Cb 0.23 -0.71 -0.03 0.00 0.00 0.00 0.00 19.45 18.93 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 -3.28 0.52 0.24 0.00 1.02 0.44 -4.39 120.64 115.19 1x5p n GLU 68 Ca -0.26 0.28 0.18 0.00 -0.02 0.00 0.00 57.16 57.33 1x5p n GLU 68 Cb 1.05 -1.49 0.84 0.00 -0.02 0.00 0.00 31.44 31.82 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 -9.10 -4.62 3.38 0.83 -3.35 115.31 101.45 1x5p h LEU 69 Ca -0.07 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.33 1x5p h LEU 69 Cb 0.97 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.72 1x5p h LEU 69 CO -0.04 0.00 1.38 -3.20 0.09 0.00 0.00 178.44 176.67 1x5p n ASN 70 N -3.35 3.50 -0.58 -0.43 2.85 -1.19 -0.97 115.26 115.10 1x5p n ASN 70 Ca 0.01 0.50 -0.08 0.00 -0.11 0.00 0.00 54.58 54.91 1x5p n ASN 70 Cb 0.41 -1.52 -0.03 0.00 1.24 0.00 0.00 39.78 39.88 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 5.33 0.84 3.84 8.20 0.00 -0.90 -4.94 105.19 117.56 1x5p n GLY 71 Ca 0.27 -0.16 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.92 4.11 -0.41 2.61 -1.32 -0.14 -4.82 115.64 113.75 1x5p s THR 72 Ca 0.00 0.68 0.03 0.00 -1.21 0.00 0.00 61.69 61.19 1x5p s THR 72 Cb 0.00 -3.54 0.12 0.00 -1.51 0.00 0.00 72.50 67.57 1x5p s THR 72 CO 0.00 -0.89 0.16 -1.58 -2.21 0.00 0.00 174.62 170.09 1x5p s GLN 73 N -5.14 1.43 -0.03 7.08 0.74 -1.26 -0.69 119.66 121.79 1x5p s GLN 73 Ca 0.57 -1.96 0.03 0.00 0.05 0.00 0.00 55.36 54.05 1x5p s GLN 73 Cb -0.13 -2.81 -0.03 0.00 1.10 0.00 0.00 33.01 31.14 1x5p s GLN 73 CO 0.54 -1.05 -0.10 0.14 -0.55 0.00 0.00 175.29 174.27 1x5p s VAL 74 N 0.58 3.38 -1.38 1.34 -7.23 -1.01 -4.56 120.40 111.52 1x5p s VAL 74 Ca 0.14 -0.72 -0.03 0.00 -1.81 0.00 0.00 61.98 59.56 1x5p s VAL 74 Cb -0.22 -2.39 0.01 0.00 0.56 0.00 0.00 36.38 34.34 1x5p s VAL 74 CO -0.07 0.51 0.22 -0.62 -0.31 0.00 0.00 175.10 174.83 1x5p n GLU 75 N 1.99 -2.88 -2.34 4.82 -0.58 -1.26 -0.32 120.64 120.07 1x5p n GLU 75 Ca -0.17 0.75 -0.16 0.00 -0.42 0.00 0.00 57.16 57.16 1x5p n GLU 75 Cb 0.52 -5.44 -0.01 0.00 -0.57 0.00 0.00 31.44 25.95 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 -2.10 -4.87 -3.68 1.62 7.64 -1.26 -4.99 113.62 105.98 1x5p n SER 76 Ca -0.14 -0.03 -0.26 0.00 1.01 0.00 0.00 58.87 59.45 1x5p n SER 76 Cb 0.62 -3.97 -0.17 0.00 -1.01 0.00 0.00 64.21 59.69 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 -2.83 0.21 -0.32 0.44 1.01 0.56 -5.04 120.40 114.43 1x5p s VAL 77 Ca 0.01 -0.25 -0.28 0.00 0.00 0.00 0.00 61.98 61.46 1x5p s VAL 77 Cb -0.01 -0.72 -0.02 0.00 0.00 0.00 0.00 36.38 35.63 1x5p s VAL 77 CO 0.02 -0.16 1.80 -1.10 0.00 0.00 0.00 175.10 175.66 1x5p s GLN 78 N 2.01 3.36 -0.10 2.72 -0.21 -1.26 -2.40 119.66 123.78 1x5p s GLN 78 Ca 0.01 1.46 -0.06 0.00 0.02 0.00 0.00 55.36 56.79 1x5p s GLN 78 Cb -0.16 -4.19 -0.04 0.00 1.00 0.00 0.00 33.01 29.62 1x5p s GLN 78 CO -0.08 -1.83 0.13 -0.51 -2.12 0.00 0.00 175.29 170.89 1x5p s LEU 79 N 6.82 4.32 -0.29 2.90 1.43 0.13 -4.64 118.68 129.36 1x5p s LEU 79 Ca 0.80 0.43 0.03 0.00 -1.03 0.00 0.00 54.13 54.36 1x5p s LEU 79 Cb -0.23 -2.12 0.07 0.00 0.03 0.00 0.00 46.19 43.94 1x5p s LEU 79 CO 0.34 0.39 -0.04 -0.75 0.23 0.00 0.00 176.35 176.51 1x5p s LYS 80 N -1.14 1.85 -0.10 1.70 2.20 -0.18 -2.11 119.74 121.95 1x5p s LYS 80 Ca 0.16 -1.47 -0.03 0.00 -0.36 0.00 0.00 55.97 54.28 1x5p s LYS 80 Cb -0.12 -2.93 -0.03 0.00 -1.51 0.00 0.00 37.83 33.24 1x5p s LYS 80 CO 0.06 -0.71 0.00 0.08 -0.36 0.00 0.00 175.35 174.42 1x5p s VAL 81 N 1.09 4.30 0.04 4.02 1.01 -1.26 0.13 120.40 129.73 1x5p s VAL 81 Ca -0.01 -0.24 -0.02 0.00 0.00 0.00 0.00 61.98 61.71 1x5p s VAL 81 Cb -0.19 -2.83 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 1x5p s VAL 81 CO -0.07 0.58 0.00 0.20 0.00 0.00 0.00 175.10 175.81 1x5p s ASN 82 N -0.62 0.33 -0.75 3.32 -0.87 0.07 -4.47 114.94 111.96 1x5p s ASN 82 Ca 0.10 -0.73 -0.26 0.00 -1.57 0.00 0.00 52.86 50.40 1x5p s ASN 82 Cb -0.12 0.18 -0.04 0.00 -0.02 0.00 0.00 41.25 41.25 1x5p s ASN 82 CO 0.02 -0.49 1.93 -0.63 -2.57 0.00 0.00 177.10 175.36 1x5p s ILE 83 N -2.87 3.38 -0.91 0.60 -1.09 -1.26 0.28 121.20 119.34 1x5p s ILE 83 Ca -0.03 -0.07 -0.33 0.00 -2.23 0.00 0.00 60.65 57.99 1x5p s ILE 83 Cb 0.00 -3.93 -0.21 0.00 -1.58 0.00 0.00 42.46 36.74 1x5p s ILE 83 CO -0.06 -0.89 2.57 0.00 -1.23 0.00 0.00 174.94 175.34 1x5p n ALA 84 N 13.53 0.27 0.30 9.38 0.00 -1.25 -4.69 120.51 138.04 1x5p n ALA 84 Ca 0.30 -0.20 0.03 0.00 0.00 0.00 0.00 53.44 53.58 1x5p n ALA 84 Cb 0.50 -2.21 0.17 0.00 0.00 0.00 0.00 19.45 17.90 1x5p n ALA 84 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1x5p n ARG 85 N 8.23 0.06 -3.81 0.00 1.85 -1.26 -3.90 116.66 117.82 1x5p n ARG 85 Ca 0.63 0.29 -0.33 0.00 -1.00 0.00 0.00 57.85 57.44 1x5p n ARG 85 Cb 0.02 -1.50 -0.11 0.00 -1.05 0.00 0.00 32.46 29.82 1x5p n ARG 85 CO 0.00 0.00 0.00 -1.59 -0.01 0.00 0.00 177.63 176.03 1x5p s LYS 86 N -2.75 2.49 -0.78 2.89 -2.85 -1.26 -4.99 119.74 112.49 1x5p s LYS 86 Ca 0.05 -2.84 0.03 0.00 -1.00 0.00 0.00 55.97 52.21 1x5p s LYS 86 Cb 0.05 -3.59 0.20 0.00 -2.06 0.00 0.00 37.83 32.43 1x5p s LYS 86 CO 0.12 -1.19 0.64 1.04 0.10 0.00 0.00 175.35 176.06 1x5p n GLN 87 N 2.90 2.24 -0.77 1.78 6.02 -1.25 -5.09 117.38 123.21 1x5p n GLN 87 Ca 0.11 -4.51 -0.22 0.00 -0.01 0.00 0.00 57.00 52.37 1x5p n GLN 87 Cb 0.35 -2.33 0.18 0.00 1.02 0.00 0.00 30.24 29.47 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 1.94 -2.59 -1.32 -1.09 -0.04 -1.26 -4.73 135.00 125.91 1x5p n PRO 88 Ca 0.22 -1.29 -0.38 0.00 -0.04 0.00 0.00 63.50 62.01 1x5p n PRO 88 Cb 0.36 -1.21 -0.13 0.00 -0.04 0.00 0.00 33.50 32.48 1x5p n PRO 88 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1x5p n MET 89 N -3.97 0.00 -2.74 0.54 2.81 -1.26 -4.80 117.12 107.70 1x5p n MET 89 Ca 0.11 0.00 -0.42 0.00 -1.81 0.00 0.00 57.70 55.58 1x5p n MET 89 Cb 0.43 -1.33 -0.04 0.00 -0.71 0.00 0.00 33.22 31.58 1x5p n MET 89 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 1x5p s LEU 90 N 7.82 3.87 -0.46 4.03 0.20 -1.26 -4.99 118.68 127.89 1x5p s LEU 90 Ca 1.20 -0.46 -0.29 0.00 0.69 0.00 0.00 54.13 55.27 1x5p s LEU 90 Cb -1.13 -2.72 0.01 0.00 -0.43 0.00 0.00 46.19 41.92 1x5p s LEU 90 CO 0.45 -1.45 1.37 -0.62 -0.29 0.00 0.00 176.35 175.80 1x5p s ASP 91 N 3.26 6.33 -0.14 3.68 2.15 -1.26 -4.81 116.67 125.88 1x5p s ASP 91 Ca 0.31 0.62 -0.03 0.00 0.43 0.00 0.00 52.55 53.87 1x5p s ASP 91 Cb -0.12 -2.54 -0.07 0.00 -0.30 0.00 0.00 42.92 39.88 1x5p s ASP 91 CO 0.17 -1.48 -0.15 -1.54 -0.17 0.00 0.00 175.17 171.99 1x5p n SER 92 N 8.87 1.92 0.00 -0.34 3.41 -1.26 -5.12 113.62 121.10 1x5p n SER 92 Ca 0.15 0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 1x5p n SER 92 Cb 0.48 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 1x5p n SER 92 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x5p n GLY 93 N 2.45 3.60 0.09 5.00 0.00 -1.26 -4.97 105.19 110.09 1x5p n GLY 93 Ca -0.26 -0.50 0.10 0.00 0.00 0.00 0.00 46.02 45.36 1x5p n GLY 93 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x5p n PRO 94 N -0.99 0.13 -1.51 1.61 -0.04 -1.26 -4.77 135.00 128.17 1x5p n PRO 94 Ca 0.00 0.37 -0.40 0.00 -0.04 0.00 0.00 63.50 63.43 1x5p n PRO 94 Cb 0.00 -1.74 -0.12 0.00 -0.04 0.00 0.00 33.50 31.60 1x5p n PRO 94 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1x5p n SER 95 N -1.98 0.88 -3.87 3.54 3.41 -1.26 -4.85 113.62 109.49 1x5p n SER 95 Ca 0.03 -0.02 -0.09 0.00 -0.26 0.00 0.00 58.87 58.53 1x5p n SER 95 Cb 0.21 -1.11 -0.08 0.00 -0.26 0.00 0.00 64.21 62.97 1x5p n SER 95 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1x5p s SER 96 N 9.91 0.11 0.00 4.04 0.15 -1.26 -5.20 113.70 121.46 1x5p s SER 96 Ca 1.25 -0.57 0.00 0.00 0.70 0.00 0.00 55.95 57.33 1x5p s SER 96 Cb -0.95 0.31 0.00 0.00 -1.71 0.00 0.00 66.02 63.67 1x5p s SER 96 CO 0.43 -0.66 0.00 0.61 1.20 0.00 0.00 173.24 174.82