#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cbi n ASN 2 N 0.00 0.00 0.24 3.54 6.94 -1.26 -5.04 115.26 119.68 1cbi n ASN 2 Ca 0.00 -0.45 0.14 0.00 -0.02 0.00 0.00 54.58 54.25 1cbi n ASN 2 Cb 0.00 0.00 0.45 0.00 -2.36 0.00 0.00 39.78 37.87 1cbi n ASN 2 CO 0.00 0.00 0.00 -0.26 -1.03 0.00 0.00 177.26 175.97 1cbi h PHE 3 N 0.45 0.00 -3.43 -2.53 -1.00 -1.99 -3.46 116.94 104.99 1cbi h PHE 3 Ca 0.00 0.00 -0.53 0.00 2.81 0.00 0.00 57.97 60.25 1cbi h PHE 3 Cb 0.00 0.00 0.07 0.00 3.61 0.00 0.00 35.95 39.63 1cbi h PHE 3 CO 0.00 0.05 0.82 0.00 -1.61 0.00 0.00 178.31 177.57 1cbi s ALA 4 N -3.48 3.67 0.00 2.45 0.00 -1.26 -4.75 121.76 118.39 1cbi s ALA 4 Ca 0.03 1.46 0.00 0.00 0.00 0.00 0.00 51.96 53.45 1cbi s ALA 4 Cb 0.08 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.60 1cbi s ALA 4 CO 0.61 -0.88 0.00 0.41 0.00 0.00 0.00 175.76 175.90 1cbi n GLY 5 N 1.97 -0.26 3.62 0.00 0.00 -0.90 -4.99 105.19 104.62 1cbi n GLY 5 Ca 0.07 -1.71 -0.35 0.00 0.00 0.00 0.00 46.02 44.03 1cbi n GLY 5 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cbi s THR 6 N -1.66 4.77 0.18 2.61 2.01 -1.26 -1.19 115.64 121.10 1cbi s THR 6 Ca 0.00 -0.04 0.11 0.00 0.31 0.00 0.00 61.69 62.07 1cbi s THR 6 Cb 0.00 -3.16 -0.04 0.00 0.01 0.00 0.00 72.50 69.31 1cbi s THR 6 CO 0.00 0.45 -0.24 0.26 -0.69 0.00 0.00 174.62 174.40 1cbi s TRP 7 N 0.50 2.23 0.13 4.92 0.52 0.79 -1.63 118.94 126.40 1cbi s TRP 7 Ca 0.03 -0.38 0.06 0.00 0.02 0.00 0.00 56.10 55.84 1cbi s TRP 7 Cb -0.13 -1.12 -0.04 0.00 -1.15 0.00 0.00 33.47 31.03 1cbi s TRP 7 CO 0.01 0.45 -0.14 0.21 0.02 0.00 0.00 176.95 177.50 1cbi s LYS 8 N -2.57 1.06 -0.21 4.98 2.20 -0.27 -1.42 119.74 123.51 1cbi s LYS 8 Ca 0.19 -1.31 -0.08 0.00 -0.36 0.00 0.00 55.97 54.40 1cbi s LYS 8 Cb -0.08 -0.89 -0.04 0.00 -1.51 0.00 0.00 37.83 35.31 1cbi s LYS 8 CO 0.09 0.16 0.09 1.41 -0.36 0.00 0.00 175.35 176.74 1cbi s MET 9 N -2.93 3.95 0.00 4.03 -2.45 -1.26 -0.23 119.30 120.41 1cbi s MET 9 Ca 0.12 -0.34 0.15 0.00 -1.25 0.00 0.00 55.69 54.36 1cbi s MET 9 Cb -0.03 -3.33 -0.14 0.00 1.25 0.00 0.00 34.83 32.57 1cbi s MET 9 CO 0.03 0.13 0.67 2.89 1.05 0.00 0.00 175.02 179.79 1cbi n ARG 10 N 3.99 1.99 -3.59 4.11 1.85 0.85 -4.97 116.66 120.89 1cbi n ARG 10 Ca -0.16 -0.11 -0.13 0.00 -1.00 0.00 0.00 57.85 56.45 1cbi n ARG 10 Cb 0.52 -1.22 -0.06 0.00 -1.05 0.00 0.00 32.46 30.65 1cbi n ARG 10 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 1cbi s SER 11 N -2.35 -0.58 -0.08 2.89 1.04 -1.14 -4.95 113.70 108.53 1cbi s SER 11 Ca 0.07 0.90 -0.03 0.00 0.48 0.00 0.00 55.95 57.36 1cbi s SER 11 Cb 0.12 0.83 0.04 0.00 0.10 0.00 0.00 66.02 67.11 1cbi s SER 11 CO 0.59 -0.35 0.16 -0.55 0.98 0.00 0.00 173.24 174.07 1cbi s SER 12 N -0.40 0.51 0.06 7.02 0.15 -1.25 -0.33 113.70 119.46 1cbi s SER 12 Ca -0.03 0.33 0.07 0.00 0.70 0.00 0.00 55.95 57.02 1cbi s SER 12 Cb -0.03 0.26 -0.03 0.00 -1.71 0.00 0.00 66.02 64.51 1cbi s SER 12 CO 0.02 -0.22 -0.19 -0.70 1.20 0.00 0.00 173.24 173.35 1cbi s GLU 13 N 1.98 1.20 -1.52 5.44 -6.30 -0.26 -4.78 118.70 114.46 1cbi s GLU 13 Ca -0.00 -0.97 0.00 0.00 -2.50 0.00 0.00 54.97 51.50 1cbi s GLU 13 Cb -0.12 -1.33 0.00 0.00 0.00 0.00 0.00 34.13 32.68 1cbi s GLU 13 CO -0.06 0.33 0.00 0.09 0.02 0.00 0.00 175.26 175.64 1cbi n ASN 14 N 1.61 -4.03 0.01 -1.70 4.13 -1.26 -1.94 115.26 112.08 1cbi n ASN 14 Ca -0.18 0.32 -0.12 0.00 1.68 0.00 0.00 54.58 56.28 1cbi n ASN 14 Cb 0.54 -3.64 -0.08 0.00 -1.54 0.00 0.00 39.78 35.06 1cbi n ASN 14 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 1cbi h PHE 15 N 0.00 0.01 -0.98 3.10 3.57 -1.87 -1.32 116.94 119.45 1cbi h PHE 15 Ca -0.31 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.26 1cbi h PHE 15 Cb 1.02 -0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.69 1cbi h PHE 15 CO 0.46 0.26 0.63 0.22 -2.23 0.00 0.00 178.31 177.65 1cbi h ASP 16 N -0.23 0.99 0.64 0.41 3.58 -1.94 0.18 116.42 120.05 1cbi h ASP 16 Ca 0.00 0.01 -0.06 0.00 0.42 0.00 0.00 57.03 57.41 1cbi h ASP 16 Cb 0.25 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.09 1cbi h ASP 16 CO 0.00 0.62 -0.28 -0.33 -2.88 0.00 0.00 179.24 176.37 1cbi h GLU 17 N 1.12 0.00 0.41 0.28 3.07 -1.91 -1.45 114.58 116.11 1cbi h GLU 17 Ca 0.43 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.27 1cbi h GLU 17 Cb 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.12 1cbi h GLU 17 CO -0.17 0.28 -0.20 1.25 -1.40 0.00 0.00 179.01 178.77 1cbi h LEU 18 N 0.00 -0.47 -1.28 1.33 5.85 0.52 -2.11 115.31 119.16 1cbi h LEU 18 Ca -0.00 -0.11 0.13 0.00 0.84 0.00 0.00 57.88 58.74 1cbi h LEU 18 Cb 0.68 0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.76 1cbi h LEU 18 CO 0.04 -0.07 0.57 -0.07 -0.34 0.00 0.00 178.44 178.56 1cbi h LEU 19 N -0.95 0.68 -0.86 2.25 3.38 -1.15 0.28 115.31 118.94 1cbi h LEU 19 Ca -0.06 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1cbi h LEU 19 Cb 0.56 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 1cbi h LEU 19 CO 0.09 0.36 0.40 0.50 0.09 0.00 0.00 178.44 179.88 1cbi h LYS 20 N 0.73 1.23 -0.19 1.13 3.64 -1.24 -1.21 116.57 120.65 1cbi h LYS 20 Ca 0.44 -0.18 -0.04 0.00 -1.27 0.00 0.00 60.65 59.59 1cbi h LYS 20 Cb 0.65 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 1cbi h LYS 20 CO -0.20 0.94 -0.08 0.00 -2.27 0.00 0.00 179.45 177.85 1cbi h ALA 21 N 1.22 1.52 -0.01 5.00 0.00 0.24 -1.29 119.26 125.94 1cbi h ALA 21 Ca 0.29 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1cbi h ALA 21 Cb 0.13 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1cbi h ALA 21 CO -0.04 0.35 0.00 1.28 0.00 0.00 0.00 179.25 180.84 1cbi n LEU 22 N -4.30 0.25 0.00 0.00 4.32 -0.56 -4.86 117.00 111.85 1cbi n LEU 22 Ca -0.00 -0.09 0.00 0.00 -0.02 0.00 0.00 56.01 55.90 1cbi n LEU 22 Cb 0.24 -0.01 0.00 0.00 -1.62 0.00 0.00 43.42 42.04 1cbi n LEU 22 CO 0.38 0.05 0.00 0.61 -1.22 0.00 0.00 177.39 177.20 1cbi n GLY 23 N 0.97 0.76 3.70 -0.72 0.00 -0.48 -5.03 105.19 104.38 1cbi n GLY 23 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1cbi n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cbi s VAL 24 N -2.77 3.59 0.74 1.61 1.01 -0.60 -4.98 120.40 118.99 1cbi s VAL 24 Ca 0.00 1.07 -0.12 0.00 0.00 0.00 0.00 61.98 62.93 1cbi s VAL 24 Cb 0.00 -3.69 0.04 0.00 0.00 0.00 0.00 36.38 32.73 1cbi s VAL 24 CO 0.00 0.04 1.09 0.54 0.00 0.00 0.00 175.10 176.77 1cbi s ASN 25 N 1.51 4.74 0.25 3.32 2.20 -1.26 -4.45 114.94 121.25 1cbi s ASN 25 Ca 0.64 1.85 -0.14 0.00 -0.94 0.00 0.00 52.86 54.26 1cbi s ASN 25 Cb -0.33 -2.53 0.31 0.00 -2.00 0.00 0.00 41.25 36.70 1cbi s ASN 25 CO 0.28 -1.87 1.56 0.00 -2.94 0.00 0.00 177.10 174.13 1cbi h ALA 26 N -0.79 0.33 0.64 3.54 0.00 -1.98 -0.09 119.26 120.91 1cbi h ALA 26 Ca -0.44 0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1cbi h ALA 26 Cb 1.23 0.90 -0.00 0.00 0.00 0.00 0.00 17.79 19.93 1cbi h ALA 26 CO 0.53 -0.54 -0.36 1.98 0.00 0.00 0.00 179.25 180.85 1cbi h MET 27 N -0.01 -0.90 -0.43 0.00 1.85 -2.00 -0.90 114.93 112.54 1cbi h MET 27 Ca 0.39 0.06 0.01 0.00 -0.61 0.00 0.00 59.70 59.55 1cbi h MET 27 Cb 0.64 0.20 -0.02 0.00 0.43 0.00 0.00 31.60 32.85 1cbi h MET 27 CO -0.98 -0.60 0.27 -0.07 -0.40 0.00 0.00 176.91 175.13 1cbi h LEU 28 N -0.94 0.46 -0.61 3.39 3.38 -1.81 -2.08 115.31 117.10 1cbi h LEU 28 Ca -0.08 -0.01 0.12 0.00 0.09 0.00 0.00 57.88 58.01 1cbi h LEU 28 Cb 0.75 -0.11 -0.09 0.00 0.09 0.00 0.00 40.66 41.30 1cbi h LEU 28 CO 0.10 0.33 0.09 -0.09 0.09 0.00 0.00 178.44 178.96 1cbi h ARG 29 N 0.55 0.20 0.04 1.13 2.43 -0.93 0.27 114.38 118.08 1cbi h ARG 29 Ca 0.16 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.35 1cbi h ARG 29 Cb -0.03 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.43 1cbi h ARG 29 CO -0.05 0.13 -0.24 0.87 -1.51 0.00 0.00 179.97 179.17 1cbi h LYS 30 N 0.21 -0.38 -0.71 0.20 6.56 -0.47 -0.25 116.57 121.73 1cbi h LYS 30 Ca 0.33 0.03 -0.05 0.00 -1.06 0.00 0.00 60.65 59.89 1cbi h LYS 30 Cb 0.51 0.09 -0.03 0.00 -0.57 0.00 0.00 32.23 32.22 1cbi h LYS 30 CO -0.45 -0.25 0.25 0.28 -2.06 0.00 0.00 179.45 177.22 1cbi h VAL 31 N -0.40 1.25 -0.45 0.50 2.07 -0.99 -2.10 116.25 116.14 1cbi h VAL 31 Ca 0.05 -0.83 -0.00 0.00 0.82 0.00 0.00 66.70 66.74 1cbi h VAL 31 Cb 0.46 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 1cbi h VAL 31 CO -0.18 0.33 0.28 0.00 0.02 0.00 0.00 177.57 178.01 1cbi h ALA 32 N 1.12 0.57 -0.05 1.67 0.00 -0.12 -1.09 119.26 121.35 1cbi h ALA 32 Ca 0.23 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1cbi h ALA 32 Cb 0.26 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1cbi h ALA 32 CO -0.01 0.05 0.03 0.28 0.00 0.00 0.00 179.25 179.60 1cbi h VAL 33 N 0.60 1.05 -0.59 0.00 2.07 -0.83 -2.59 116.25 115.95 1cbi h VAL 33 Ca 0.16 -0.13 0.08 0.00 0.82 0.00 0.00 66.70 67.63 1cbi h VAL 33 Cb -0.02 1.05 -0.06 0.00 -1.52 0.00 0.00 31.29 30.73 1cbi h VAL 33 CO -0.03 0.04 0.25 0.00 0.02 0.00 0.00 177.57 177.85 1cbi h ALA 34 N 0.97 0.77 -0.88 1.67 0.00 -1.07 -2.16 119.26 118.57 1cbi h ALA 34 Ca 0.02 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1cbi h ALA 34 Cb 0.04 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1cbi h ALA 34 CO -0.00 -0.15 0.57 0.00 0.00 0.00 0.00 179.25 179.67 1cbi h ALA 35 N 1.38 1.34 -0.47 0.00 0.00 -0.96 -2.55 119.26 118.00 1cbi h ALA 35 Ca 0.29 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 1cbi h ALA 35 Cb 0.31 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1cbi h ALA 35 CO -0.26 0.60 0.08 0.00 0.00 0.00 0.00 179.25 179.66 1cbi n ALA 36 N -2.40 3.72 0.36 0.00 0.00 -0.83 -4.40 120.51 116.95 1cbi n ALA 36 Ca 0.10 -1.51 0.12 0.00 0.00 0.00 0.00 53.44 52.15 1cbi n ALA 36 Cb 0.03 -1.13 0.20 0.00 0.00 0.00 0.00 19.45 18.55 1cbi n ALA 36 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1cbi h SER 37 N 2.53 0.00 -2.15 0.00 4.64 -1.20 -3.37 113.55 114.00 1cbi h SER 37 Ca 0.08 -0.03 -0.55 0.00 -0.47 0.00 0.00 61.79 60.82 1cbi h SER 37 Cb 1.71 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 63.39 1cbi h SER 37 CO 0.43 0.02 -0.85 0.29 -0.87 0.00 0.00 176.83 175.85 1cbi n LYS 38 N -2.65 2.40 -1.54 4.77 5.02 -1.26 -4.99 118.16 119.91 1cbi n LYS 38 Ca 0.04 -4.30 -0.32 0.00 -2.02 0.00 0.00 58.31 51.71 1cbi n LYS 38 Cb 0.49 -2.04 0.06 0.00 -0.02 0.00 0.00 35.03 33.53 1cbi n LYS 38 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1cbi s PRO 39 N -3.09 2.66 -0.20 1.97 0.04 -1.26 -4.83 135.00 130.29 1cbi s PRO 39 Ca 0.45 1.18 -0.02 0.00 0.04 0.00 0.00 61.00 62.65 1cbi s PRO 39 Cb 0.31 -1.95 0.06 0.00 0.04 0.00 0.00 34.50 32.96 1cbi s PRO 39 CO -0.12 -1.33 0.01 -1.58 0.04 0.00 0.00 177.00 174.03 1cbi s HIS 40 N -2.75 1.31 -0.06 0.56 2.46 -0.87 -4.18 115.29 111.76 1cbi s HIS 40 Ca 0.62 -1.02 -0.03 0.00 0.47 0.00 0.00 55.06 55.09 1cbi s HIS 40 Cb -0.17 -1.14 -0.04 0.00 -0.13 0.00 0.00 32.58 31.10 1cbi s HIS 40 CO 0.50 -0.63 0.11 0.08 -2.47 0.00 0.00 174.74 172.33 1cbi s VAL 41 N 1.76 5.10 -0.10 0.89 1.01 -0.51 -1.08 120.40 127.47 1cbi s VAL 41 Ca -0.02 -0.12 -0.02 0.00 0.00 0.00 0.00 61.98 61.82 1cbi s VAL 41 Cb -0.17 -3.28 0.04 0.00 0.00 0.00 0.00 36.38 32.97 1cbi s VAL 41 CO -0.07 0.47 0.04 -0.70 0.00 0.00 0.00 175.10 174.84 1cbi s GLU 42 N -1.42 0.32 -0.05 2.72 2.12 -0.30 -0.15 118.70 121.95 1cbi s GLU 42 Ca 0.20 0.07 0.05 0.00 0.36 0.00 0.00 54.97 55.65 1cbi s GLU 42 Cb -0.12 -1.16 -0.02 0.00 0.26 0.00 0.00 34.13 33.09 1cbi s GLU 42 CO 0.10 -0.42 -0.19 0.42 -0.54 0.00 0.00 175.26 174.62 1cbi s ILE 43 N 2.04 2.61 -0.12 -3.70 1.01 -0.33 -0.42 121.20 122.29 1cbi s ILE 43 Ca 0.04 -0.88 0.02 0.00 0.00 0.00 0.00 60.65 59.83 1cbi s ILE 43 Cb -0.14 -1.99 0.01 0.00 0.01 0.00 0.00 42.46 40.35 1cbi s ILE 43 CO -0.06 0.58 -0.17 -0.60 0.00 0.00 0.00 174.94 174.69 1cbi s ARG 44 N -0.46 2.50 0.02 2.79 6.06 0.53 -2.13 118.95 128.25 1cbi s ARG 44 Ca 0.05 -0.66 0.08 0.00 -2.50 0.00 0.00 55.73 52.70 1cbi s ARG 44 Cb -0.12 -2.09 -0.02 0.00 0.06 0.00 0.00 34.95 32.78 1cbi s ARG 44 CO 0.01 -0.06 -0.25 -1.14 -2.50 0.00 0.00 175.30 171.37 1cbi s GLN 45 N 0.97 1.82 -0.40 5.12 0.74 -1.26 -0.63 119.66 126.01 1cbi s GLN 45 Ca -0.06 -0.98 0.03 0.00 0.05 0.00 0.00 55.36 54.40 1cbi s GLN 45 Cb -0.15 -1.88 0.16 0.00 1.10 0.00 0.00 33.01 32.24 1cbi s GLN 45 CO -0.02 0.50 0.38 0.34 -0.55 0.00 0.00 175.29 175.94 1cbi s ASP 46 N -0.94 1.21 1.57 6.67 -1.08 0.10 -4.97 116.67 119.24 1cbi s ASP 46 Ca 0.10 -2.26 0.00 0.00 -0.52 0.00 0.00 52.55 49.88 1cbi s ASP 46 Cb -0.10 0.21 0.00 0.00 -1.46 0.00 0.00 42.92 41.58 1cbi s ASP 46 CO 0.01 -0.21 0.00 0.61 0.52 0.00 0.00 175.17 176.10 1cbi n GLY 47 N 3.52 1.69 0.02 2.66 0.00 -1.26 -1.36 105.19 110.46 1cbi n GLY 47 Ca 0.19 0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.41 1cbi n GLY 47 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cbi n ASP 48 N 10.89 0.63 -4.71 1.61 8.00 -1.26 -4.89 116.55 126.82 1cbi n ASP 48 Ca 0.00 -0.44 -0.42 0.00 0.71 0.00 0.00 54.79 54.65 1cbi n ASP 48 Cb 0.00 1.03 -0.03 0.00 -0.02 0.00 0.00 41.12 42.10 1cbi n ASP 48 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1cbi s GLN 49 N -3.17 4.59 0.15 -1.24 -0.21 -0.46 -1.51 119.66 117.80 1cbi s GLN 49 Ca 0.04 1.43 0.09 0.00 0.02 0.00 0.00 55.36 56.93 1cbi s GLN 49 Cb 0.15 -3.44 -0.04 0.00 1.00 0.00 0.00 33.01 30.68 1cbi s GLN 49 CO 0.84 0.00 -0.20 -0.06 -2.12 0.00 0.00 175.29 173.75 1cbi s PHE 50 N 0.80 1.85 -0.05 0.91 0.40 0.45 -0.72 117.98 121.62 1cbi s PHE 50 Ca 0.51 -0.45 -0.02 0.00 -0.60 0.00 0.00 56.93 56.38 1cbi s PHE 50 Cb -0.21 -0.95 0.03 0.00 0.51 0.00 0.00 43.02 42.40 1cbi s PHE 50 CO 0.28 0.30 0.03 -0.47 0.70 0.00 0.00 175.22 176.07 1cbi s TYR 51 N -1.75 0.35 -0.23 0.36 5.04 0.20 -2.41 117.35 118.91 1cbi s TYR 51 Ca 0.13 0.06 -0.00 0.00 -2.44 0.00 0.00 57.07 54.82 1cbi s TYR 51 Cb -0.07 -0.63 0.06 0.00 0.35 0.00 0.00 41.96 41.67 1cbi s TYR 51 CO 0.06 -0.25 -0.03 0.42 -1.34 0.00 0.00 175.55 174.40 1cbi s ILE 52 N 2.07 1.32 -0.21 3.14 1.01 -0.25 -0.35 121.20 127.93 1cbi s ILE 52 Ca 0.05 -1.09 -0.09 0.00 0.00 0.00 0.00 60.65 59.52 1cbi s ILE 52 Cb -0.12 -1.64 -0.05 0.00 0.01 0.00 0.00 42.46 40.66 1cbi s ILE 52 CO -0.04 -0.13 0.11 -0.75 0.00 0.00 0.00 174.94 174.12 1cbi s LYS 53 N 1.49 4.05 -0.23 2.79 2.20 0.44 -1.17 119.74 129.30 1cbi s LYS 53 Ca -0.05 -0.30 0.01 0.00 -0.36 0.00 0.00 55.97 55.28 1cbi s LYS 53 Cb -0.18 -3.37 0.06 0.00 -1.51 0.00 0.00 37.83 32.82 1cbi s LYS 53 CO -0.07 0.20 -0.07 0.99 -0.36 0.00 0.00 175.35 176.03 1cbi s THR 54 N 0.62 1.67 -0.23 3.43 2.01 0.02 -1.15 115.64 122.02 1cbi s THR 54 Ca 0.06 -1.25 -0.06 0.00 0.31 0.00 0.00 61.69 60.75 1cbi s THR 54 Cb -0.12 -1.86 -0.02 0.00 0.01 0.00 0.00 72.50 70.50 1cbi s THR 54 CO 0.01 -0.03 0.02 -0.94 -0.69 0.00 0.00 174.62 172.99 1cbi s SER 55 N 1.34 4.81 0.11 3.53 1.04 -0.24 -1.52 113.70 122.77 1cbi s SER 55 Ca -0.05 -0.26 0.07 0.00 0.48 0.00 0.00 55.95 56.18 1cbi s SER 55 Cb -0.18 -1.84 -0.04 0.00 0.10 0.00 0.00 66.02 64.06 1cbi s SER 55 CO -0.06 -0.00 -0.16 0.28 0.98 0.00 0.00 173.24 174.27 1cbi s THR 56 N 1.40 1.43 0.18 2.02 -1.32 -0.96 -2.06 115.64 116.33 1cbi s THR 56 Ca 0.05 -1.59 -0.21 0.00 -1.21 0.00 0.00 61.69 58.73 1cbi s THR 56 Cb -0.15 -1.45 0.10 0.00 -1.51 0.00 0.00 72.50 69.48 1cbi s THR 56 CO 0.01 -0.26 1.39 0.41 -2.21 0.00 0.00 174.62 173.96 1cbi n THR 57 N 0.84 -0.53 0.07 5.08 -1.04 -1.26 -2.28 114.28 115.15 1cbi n THR 57 Ca -0.18 2.14 -0.02 0.00 -2.04 0.00 0.00 64.05 63.96 1cbi n THR 57 Cb 0.55 -2.75 -0.06 0.00 -1.82 0.00 0.00 70.33 66.26 1cbi n THR 57 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1cbi h VAL 58 N 0.00 0.89 -3.48 12.58 2.07 -1.97 -3.46 116.25 122.88 1cbi h VAL 58 Ca 0.24 -2.43 -0.33 0.00 0.82 0.00 0.00 66.70 65.00 1cbi h VAL 58 Cb 0.46 2.36 -0.35 0.00 -1.52 0.00 0.00 31.29 32.25 1cbi h VAL 58 CO -0.87 0.51 -0.74 -0.60 0.02 0.00 0.00 177.57 175.88 1cbi s ARG 59 N -2.85 0.15 -0.07 1.57 3.52 -0.97 -5.13 118.95 115.17 1cbi s ARG 59 Ca -0.00 0.15 0.04 0.00 -0.13 0.00 0.00 55.73 55.79 1cbi s ARG 59 Cb 0.08 -0.42 -0.01 0.00 -1.56 0.00 0.00 34.95 33.04 1cbi s ARG 59 CO 0.79 -0.17 -0.21 0.99 -0.81 0.00 0.00 175.30 175.89 1cbi s THR 60 N 1.20 2.44 -0.00 4.11 2.01 -1.26 -2.26 115.64 121.88 1cbi s THR 60 Ca -0.07 -0.92 0.05 0.00 0.31 0.00 0.00 61.69 61.05 1cbi s THR 60 Cb -0.13 -1.93 -0.01 0.00 0.01 0.00 0.00 72.50 70.43 1cbi s THR 60 CO -0.02 0.57 -0.16 0.42 -0.69 0.00 0.00 174.62 174.73 1cbi s THR 61 N -0.17 1.26 -0.38 -0.82 -4.23 -0.58 -4.98 115.64 105.74 1cbi s THR 61 Ca -0.02 -0.76 0.01 0.00 -1.18 0.00 0.00 61.69 59.74 1cbi s THR 61 Cb -0.14 -1.06 0.12 0.00 1.34 0.00 0.00 72.50 72.75 1cbi s THR 61 CO 0.04 0.29 0.16 -1.61 -0.54 0.00 0.00 174.62 172.95 1cbi s GLU 62 N -0.54 1.15 -0.14 3.99 2.02 -1.26 -0.80 118.70 123.12 1cbi s GLU 62 Ca 0.06 -1.68 -0.15 0.00 0.02 0.00 0.00 54.97 53.22 1cbi s GLU 62 Cb -0.07 -2.42 -0.05 0.00 0.10 0.00 0.00 34.13 31.70 1cbi s GLU 62 CO -0.00 -1.06 0.33 0.42 0.02 0.00 0.00 175.26 174.98 1cbi s ILE 63 N 0.87 5.27 -0.04 -1.63 -1.09 -0.32 -4.95 121.20 119.32 1cbi s ILE 63 Ca 0.14 0.64 0.06 0.00 -2.23 0.00 0.00 60.65 59.25 1cbi s ILE 63 Cb -0.21 -3.67 -0.02 0.00 -1.58 0.00 0.00 42.46 36.98 1cbi s ILE 63 CO -0.10 0.39 -0.21 0.20 -1.23 0.00 0.00 174.94 173.98 1cbi s ASN 64 N 0.41 3.44 0.06 3.58 0.01 -1.26 -1.09 114.94 120.08 1cbi s ASN 64 Ca 0.19 -0.38 -0.26 0.00 -0.71 0.00 0.00 52.86 51.70 1cbi s ASN 64 Cb -0.14 -0.68 0.09 0.00 0.41 0.00 0.00 41.25 40.94 1cbi s ASN 64 CO 0.06 0.31 0.77 0.72 -1.51 0.00 0.00 177.10 177.44 1cbi s PHE 65 N -0.52 -0.43 -0.17 2.20 -0.12 -1.01 -4.89 117.98 113.05 1cbi s PHE 65 Ca 0.07 0.26 0.00 0.00 -0.05 0.00 0.00 56.93 57.21 1cbi s PHE 65 Cb -0.11 0.55 0.03 0.00 -0.63 0.00 0.00 43.02 42.86 1cbi s PHE 65 CO 0.01 -0.67 -0.10 0.21 -0.05 0.00 0.00 175.22 174.62 1cbi s LYS 66 N -3.37 1.90 -0.03 1.99 2.20 -1.26 -0.41 119.74 120.75 1cbi s LYS 66 Ca 0.03 -0.61 -0.30 0.00 -0.36 0.00 0.00 55.97 54.73 1cbi s LYS 66 Cb -0.01 -2.13 -0.09 0.00 -1.51 0.00 0.00 37.83 34.09 1cbi s LYS 66 CO -0.11 -0.36 2.01 0.28 -0.36 0.00 0.00 175.35 176.81 1cbi n VAL 67 N 4.79 0.67 0.00 4.02 0.31 -0.57 -1.35 118.33 126.20 1cbi n VAL 67 Ca -0.14 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.00 1cbi n VAL 67 Cb 0.48 -2.28 0.00 0.00 -0.91 0.00 0.00 33.84 31.13 1cbi n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1cbi n GLY 68 N 4.75 1.60 2.93 2.92 0.00 -0.25 -4.92 105.19 112.22 1cbi n GLY 68 Ca 0.22 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.13 1cbi n GLY 68 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1cbi s GLU 69 N 0.00 0.18 1.26 1.61 -1.05 -0.46 -5.01 118.70 115.22 1cbi s GLU 69 Ca 0.00 -0.30 -0.17 0.00 -0.15 0.00 0.00 54.97 54.35 1cbi s GLU 69 Cb 0.00 0.01 0.31 0.00 -0.44 0.00 0.00 34.13 34.01 1cbi s GLU 69 CO 0.00 -0.01 1.01 0.20 0.95 0.00 0.00 175.26 177.40 1cbi s GLY 70 N -0.68 1.50 0.09 -3.83 0.00 -1.26 -4.32 107.32 98.82 1cbi s GLY 70 Ca -0.07 -0.54 -0.08 0.00 0.00 0.00 0.00 44.72 44.03 1cbi s GLY 70 CO -0.00 0.31 0.40 1.97 0.00 0.00 0.00 173.10 175.78 1cbi n PHE 71 N -5.12 -1.02 -4.29 1.90 -1.74 -0.42 -4.83 117.46 101.94 1cbi n PHE 71 Ca 0.08 -0.56 -0.19 0.00 -0.56 0.00 0.00 57.45 56.21 1cbi n PHE 71 Cb 0.57 0.28 -0.13 0.00 1.52 0.00 0.00 39.48 41.72 1cbi n PHE 71 CO 0.00 0.00 0.00 -1.21 -0.56 0.00 0.00 176.76 174.99 1cbi s GLU 72 N -2.02 0.89 0.00 3.97 2.02 -1.26 -0.89 118.70 121.41 1cbi s GLU 72 Ca 0.09 -0.83 0.00 0.00 0.02 0.00 0.00 54.97 54.25 1cbi s GLU 72 Cb -0.01 -0.91 0.00 0.00 0.10 0.00 0.00 34.13 33.31 1cbi s GLU 72 CO 0.03 0.22 0.00 -0.85 0.02 0.00 0.00 175.26 174.67 1cbi n GLU 73 N 1.67 0.00 -4.42 1.61 0.28 -0.86 -4.94 120.64 113.99 1cbi n GLU 73 Ca -0.19 0.00 -0.23 0.00 -0.16 0.00 0.00 57.16 56.58 1cbi n GLU 73 Cb 0.54 0.00 -0.13 0.00 1.43 0.00 0.00 31.44 33.28 1cbi n GLU 73 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1cbi s GLU 74 N 0.71 1.14 1.17 3.44 2.02 -1.26 -1.63 118.70 124.29 1cbi s GLU 74 Ca 0.00 -0.96 -0.15 0.00 0.02 0.00 0.00 54.97 53.88 1cbi s GLU 74 Cb 0.00 -1.26 0.27 0.00 0.10 0.00 0.00 34.13 33.24 1cbi s GLU 74 CO 0.00 0.31 1.05 0.95 0.02 0.00 0.00 175.26 177.58 1cbi s THR 75 N -0.97 1.80 -0.56 3.63 -4.23 -0.64 -4.85 115.64 109.82 1cbi s THR 75 Ca 0.05 0.00 0.18 0.00 -1.18 0.00 0.00 61.69 60.74 1cbi s THR 75 Cb -0.09 -2.29 0.18 0.00 1.34 0.00 0.00 72.50 71.64 1cbi s THR 75 CO 0.02 0.00 1.55 1.33 -0.54 0.00 0.00 174.62 176.99 1cbi n VAL 76 N -4.78 1.09 -0.71 2.29 0.24 -1.26 -2.15 118.33 113.05 1cbi n VAL 76 Ca 0.07 0.42 0.08 0.00 -2.04 0.00 0.00 64.34 62.87 1cbi n VAL 76 Cb 0.57 -1.35 0.25 0.00 -1.47 0.00 0.00 33.84 31.84 1cbi n VAL 76 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1cbi n ASP 77 N -2.01 3.80 0.00 -1.34 5.75 -1.26 -4.98 116.55 116.50 1cbi n ASP 77 Ca 0.01 -2.65 0.00 0.00 -0.01 0.00 0.00 54.79 52.14 1cbi n ASP 77 Cb 0.13 -0.46 0.00 0.00 -1.03 0.00 0.00 41.12 39.76 1cbi n ASP 77 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1cbi n GLY 78 N 0.03 0.55 3.85 6.12 0.00 -0.91 -5.07 105.19 109.75 1cbi n GLY 78 Ca 0.19 -0.67 -0.35 0.00 0.00 0.00 0.00 46.02 45.19 1cbi n GLY 78 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cbi s ARG 79 N -1.27 3.95 0.28 1.61 0.52 -1.26 -4.84 118.95 117.94 1cbi s ARG 79 Ca 0.00 0.44 -0.29 0.00 -0.52 0.00 0.00 55.73 55.36 1cbi s ARG 79 Cb 0.00 -2.96 -0.10 0.00 0.52 0.00 0.00 34.95 32.42 1cbi s ARG 79 CO 0.00 0.50 1.21 0.15 0.02 0.00 0.00 175.30 177.18 1cbi s LYS 80 N -1.91 4.49 0.14 3.54 1.02 -1.26 -1.62 119.74 124.14 1cbi s LYS 80 Ca 0.36 1.99 -0.20 0.00 0.02 0.00 0.00 55.97 58.15 1cbi s LYS 80 Cb -0.15 -3.15 0.05 0.00 -0.52 0.00 0.00 37.83 34.06 1cbi s LYS 80 CO 0.19 -0.02 0.51 0.00 -0.92 0.00 0.00 175.35 175.11 1cbi s ARG 82 N -3.67 4.02 0.05 0.00 3.52 0.80 -2.02 118.95 121.64 1cbi s ARG 82 Ca 0.01 -0.31 0.06 0.00 -0.13 0.00 0.00 55.73 55.37 1cbi s ARG 82 Cb 0.00 -3.27 -0.04 0.00 -1.56 0.00 0.00 34.95 30.09 1cbi s ARG 82 CO -0.12 0.30 -0.12 -1.12 -0.81 0.00 0.00 175.30 173.43 1cbi s SER 83 N 0.32 4.28 -0.37 -2.12 0.01 -0.06 -0.09 113.70 115.67 1cbi s SER 83 Ca 0.05 -0.33 0.03 0.00 1.31 0.00 0.00 55.95 57.01 1cbi s SER 83 Cb -0.12 -0.84 0.11 0.00 0.21 0.00 0.00 66.02 65.38 1cbi s SER 83 CO -0.00 0.23 0.11 -0.22 0.41 0.00 0.00 173.24 173.77 1cbi s LEU 84 N -1.72 3.83 -0.06 2.44 0.20 0.03 -1.30 118.68 122.10 1cbi s LEU 84 Ca 0.18 -2.18 -0.26 0.00 0.69 0.00 0.00 54.13 52.56 1cbi s LEU 84 Cb -0.11 -1.37 -0.03 0.00 -0.43 0.00 0.00 46.19 44.25 1cbi s LEU 84 CO 0.09 -0.36 0.80 -2.16 -0.29 0.00 0.00 176.35 174.44 1cbi s PRO 85 N 0.88 4.45 0.03 0.98 0.04 -1.26 -2.01 135.00 138.11 1cbi s PRO 85 Ca 0.12 1.06 -0.08 0.00 0.04 0.00 0.00 61.00 62.14 1cbi s PRO 85 Cb -0.20 -3.47 0.00 0.00 0.04 0.00 0.00 34.50 30.87 1cbi s PRO 85 CO -0.11 -0.04 0.17 0.95 0.04 0.00 0.00 177.00 178.01 1cbi s THR 86 N 1.09 0.11 -0.19 1.26 -4.23 0.29 -1.09 115.64 112.88 1cbi s THR 86 Ca 0.42 -0.88 -0.29 0.00 -1.18 0.00 0.00 61.69 59.76 1cbi s THR 86 Cb -0.18 -0.80 -0.01 0.00 1.34 0.00 0.00 72.50 72.85 1cbi s THR 86 CO 0.20 -0.48 1.19 0.26 -0.54 0.00 0.00 174.62 175.24 1cbi s TRP 87 N -2.29 3.01 -0.00 3.99 0.52 -1.26 -0.28 118.94 122.63 1cbi s TRP 87 Ca -0.07 1.16 0.11 0.00 0.02 0.00 0.00 56.10 57.32 1cbi s TRP 87 Cb -0.03 -3.43 -0.19 0.00 -1.15 0.00 0.00 33.47 28.67 1cbi s TRP 87 CO -0.03 -1.28 0.95 1.49 0.02 0.00 0.00 176.95 178.11 1cbi h GLU 88 N 7.96 0.00 -2.40 4.98 4.81 -1.71 -3.47 114.58 124.75 1cbi h GLU 88 Ca -0.24 0.00 0.15 0.00 -0.13 0.00 0.00 59.36 59.14 1cbi h GLU 88 Cb 1.09 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 30.37 1cbi h GLU 88 CO 0.97 0.64 0.46 0.54 -0.73 0.00 0.00 179.01 180.90 1cbi s ASN 89 N -6.29 -0.25 0.51 1.04 2.20 -1.24 -5.01 114.94 105.90 1cbi s ASN 89 Ca -0.02 -0.30 0.41 0.00 -0.94 0.00 0.00 52.86 52.01 1cbi s ASN 89 Cb 0.09 0.48 1.60 0.00 -2.00 0.00 0.00 41.25 41.42 1cbi s ASN 89 CO 0.82 -0.86 1.62 -0.08 -2.94 0.00 0.00 177.10 175.65 1cbi h GLU 90 N 2.00 0.03 -0.05 3.55 4.22 -2.02 -2.03 114.58 120.28 1cbi h GLU 90 Ca -0.24 -0.00 -0.08 0.00 0.08 0.00 0.00 59.36 59.12 1cbi h GLU 90 Cb 1.24 -0.01 -0.13 0.00 0.50 0.00 0.00 28.75 30.35 1cbi h GLU 90 CO 0.27 0.02 -0.66 0.09 -2.18 0.00 0.00 179.01 176.55 1cbi n ASN 91 N -4.27 1.73 -3.79 1.04 3.02 -1.26 -5.02 115.26 106.70 1cbi n ASN 91 Ca 0.40 -3.40 -0.14 0.00 -0.03 0.00 0.00 54.58 51.41 1cbi n ASN 91 Cb 1.70 -0.46 -0.15 0.00 -0.61 0.00 0.00 39.78 40.26 1cbi n ASN 91 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1cbi s LYS 92 N -2.49 0.03 -0.19 3.52 2.20 -0.76 -1.04 119.74 121.01 1cbi s LYS 92 Ca 0.38 0.20 -0.03 0.00 -0.36 0.00 0.00 55.97 56.16 1cbi s LYS 92 Cb 0.38 -0.13 -0.01 0.00 -1.51 0.00 0.00 37.83 36.55 1cbi s LYS 92 CO -0.09 -0.11 -0.06 0.42 -0.36 0.00 0.00 175.35 175.15 1cbi s ILE 93 N 0.73 3.37 0.00 5.43 1.01 0.97 -1.83 121.20 130.88 1cbi s ILE 93 Ca -0.06 -0.51 -0.01 0.00 0.00 0.00 0.00 60.65 60.07 1cbi s ILE 93 Cb -0.08 -2.50 -0.04 0.00 0.01 0.00 0.00 42.46 39.85 1cbi s ILE 93 CO -0.03 0.46 0.12 -2.28 0.00 0.00 0.00 174.94 173.21 1cbi s HIS 94 N 1.05 3.37 -0.14 3.97 5.65 0.61 -0.52 115.29 129.28 1cbi s HIS 94 Ca 0.00 0.25 -0.04 0.00 0.25 0.00 0.00 55.06 55.52 1cbi s HIS 94 Cb -0.15 -1.76 0.07 0.00 -1.18 0.00 0.00 32.58 29.57 1cbi s HIS 94 CO -0.00 0.58 0.19 0.00 -0.65 0.00 0.00 174.74 174.86 1cbi s THR 96 N 2.31 4.38 -0.09 0.00 2.01 -0.85 -1.37 115.64 122.03 1cbi s THR 96 Ca 0.04 1.81 0.04 0.00 0.31 0.00 0.00 61.69 63.89 1cbi s THR 96 Cb -0.14 -4.19 0.00 0.00 0.01 0.00 0.00 72.50 68.18 1cbi s THR 96 CO -0.09 0.47 -0.22 -1.10 -0.69 0.00 0.00 174.62 172.99 1cbi s GLN 97 N -0.87 2.79 -0.09 4.92 -0.21 -1.13 -0.79 119.66 124.28 1cbi s GLN 97 Ca 0.38 -0.81 0.03 0.00 0.02 0.00 0.00 55.36 54.98 1cbi s GLN 97 Cb -0.23 -2.14 -0.01 0.00 1.00 0.00 0.00 33.01 31.62 1cbi s GLN 97 CO 0.27 0.17 -0.18 0.99 -2.12 0.00 0.00 175.29 174.43 1cbi s THR 98 N 0.35 2.65 0.01 -0.19 2.01 0.87 -4.42 115.64 116.92 1cbi s THR 98 Ca -0.17 -0.83 -0.30 0.00 0.31 0.00 0.00 61.69 60.70 1cbi s THR 98 Cb -0.17 -2.05 -0.04 0.00 0.01 0.00 0.00 72.50 70.25 1cbi s THR 98 CO 0.08 0.55 1.04 -0.76 -0.69 0.00 0.00 174.62 174.84 1cbi s LEU 99 N 0.04 4.36 0.12 4.42 1.43 -1.26 -0.14 118.68 127.65 1cbi s LEU 99 Ca -0.07 1.75 0.04 0.00 -1.03 0.00 0.00 54.13 54.82 1cbi s LEU 99 Cb -0.15 -3.57 -0.17 0.00 0.03 0.00 0.00 46.19 42.33 1cbi s LEU 99 CO 0.05 -0.33 1.27 -0.07 0.23 0.00 0.00 176.35 177.51 1cbi h LEU 100 N 6.87 0.14 -7.59 1.79 3.38 -1.86 -3.46 115.31 114.59 1cbi h LEU 100 Ca -0.41 -0.15 -0.11 0.00 0.09 0.00 0.00 57.88 57.31 1cbi h LEU 100 Cb 1.21 -0.05 -0.18 0.00 0.09 0.00 0.00 40.66 41.73 1cbi h LEU 100 CO 0.77 1.07 -0.30 -0.70 0.09 0.00 0.00 178.44 179.38 1cbi s GLU 101 N -2.81 0.71 0.00 1.13 2.56 -1.26 -4.99 118.70 114.04 1cbi s GLU 101 Ca -0.01 -0.41 0.00 0.00 0.00 0.00 0.00 54.97 54.55 1cbi s GLU 101 Cb 0.09 0.31 0.00 0.00 2.00 0.00 0.00 34.13 36.53 1cbi s GLU 101 CO 0.83 -0.21 0.00 0.41 -0.56 0.00 0.00 175.26 175.73 1cbi n GLY 102 N 0.91 1.98 0.81 -1.50 0.00 -1.26 -4.77 105.19 101.36 1cbi n GLY 102 Ca -0.20 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.18 1cbi n GLY 102 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cbi n ASP 103 N 3.29 -2.05 0.00 1.61 9.92 -1.26 -5.15 116.55 122.91 1cbi n ASP 103 Ca 0.00 0.01 0.00 0.00 -0.53 0.00 0.00 54.79 54.27 1cbi n ASP 103 Cb 0.00 -1.03 0.00 0.00 -0.64 0.00 0.00 41.12 39.45 1cbi n ASP 103 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1cbi n GLY 104 N 0.01 4.69 3.79 0.44 0.00 -1.26 -5.15 105.19 107.71 1cbi n GLY 104 Ca 0.00 -0.53 -0.35 0.00 0.00 0.00 0.00 46.02 45.15 1cbi n GLY 104 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1cbi s PRO 105 N 4.75 3.82 0.04 1.61 0.02 -1.26 -4.99 135.00 138.99 1cbi s PRO 105 Ca 0.00 1.42 -0.30 0.00 0.02 0.00 0.00 61.00 62.14 1cbi s PRO 105 Cb 0.00 -2.17 -0.05 0.00 0.02 0.00 0.00 34.50 32.29 1cbi s PRO 105 CO 0.00 -0.42 1.24 -1.59 -0.33 0.00 0.00 177.00 175.90 1cbi s LYS 106 N -3.09 4.39 0.34 5.54 -2.85 -1.26 -4.82 119.74 117.99 1cbi s LYS 106 Ca 0.66 1.80 0.08 0.00 -1.00 0.00 0.00 55.97 57.51 1cbi s LYS 106 Cb -0.18 -3.41 -0.07 0.00 -2.06 0.00 0.00 37.83 32.12 1cbi s LYS 106 CO 0.22 -0.34 -0.07 0.95 0.10 0.00 0.00 175.35 176.21 1cbi s THR 107 N 1.44 2.03 -0.03 3.79 -4.23 -1.26 -1.09 115.64 116.29 1cbi s THR 107 Ca 0.59 -2.15 -0.29 0.00 -1.18 0.00 0.00 61.69 58.65 1cbi s THR 107 Cb -0.29 -2.66 0.11 0.00 1.34 0.00 0.00 72.50 71.00 1cbi s THR 107 CO 0.28 -0.19 1.31 -0.72 -0.54 0.00 0.00 174.62 174.76 1cbi s TYR 108 N -2.74 0.01 0.15 3.99 1.13 -1.09 -2.85 117.35 115.95 1cbi s TYR 108 Ca 0.32 -0.10 -0.12 0.00 -1.41 0.00 0.00 57.07 55.76 1cbi s TYR 108 Cb 0.04 0.55 0.01 0.00 -1.10 0.00 0.00 41.96 41.46 1cbi s TYR 108 CO 0.16 -0.22 0.35 1.67 -2.51 0.00 0.00 175.55 175.00 1cbi s TRP 109 N -2.09 0.11 -0.02 -3.49 1.48 -0.47 -2.38 118.94 112.09 1cbi s TRP 109 Ca 0.26 -0.47 -0.05 0.00 -1.06 0.00 0.00 56.10 54.78 1cbi s TRP 109 Cb 0.01 0.12 0.00 0.00 -1.16 0.00 0.00 33.47 32.44 1cbi s TRP 109 CO -0.02 -0.74 0.10 0.95 -4.06 0.00 0.00 176.95 173.18 1cbi s THR 110 N -3.89 0.05 -0.16 0.66 -4.23 -0.39 -0.17 115.64 107.51 1cbi s THR 110 Ca 0.10 -0.41 -0.02 0.00 -1.18 0.00 0.00 61.69 60.18 1cbi s THR 110 Cb 0.02 -0.28 0.05 0.00 1.34 0.00 0.00 72.50 73.63 1cbi s THR 110 CO -0.05 -0.23 0.02 -0.60 -0.54 0.00 0.00 174.62 173.22 1cbi s ARG 111 N -0.74 0.74 0.05 3.99 3.52 0.32 -1.05 118.95 125.79 1cbi s ARG 111 Ca -0.08 -0.30 0.08 0.00 -0.13 0.00 0.00 55.73 55.30 1cbi s ARG 111 Cb -0.05 -1.81 -0.03 0.00 -1.56 0.00 0.00 34.95 31.51 1cbi s ARG 111 CO 0.00 -0.53 -0.22 -2.00 -0.81 0.00 0.00 175.30 171.75 1cbi s GLU 112 N 1.86 1.46 -0.40 5.12 2.12 -0.88 -0.02 118.70 127.95 1cbi s GLU 112 Ca 0.01 -0.99 -0.10 0.00 0.36 0.00 0.00 54.97 54.25 1cbi s GLU 112 Cb -0.16 -1.60 0.06 0.00 0.26 0.00 0.00 34.13 32.70 1cbi s GLU 112 CO -0.07 0.41 0.24 -1.17 -0.54 0.00 0.00 175.26 174.12 1cbi s LEU 113 N -1.22 4.96 -0.17 2.70 2.96 -0.21 -1.04 118.68 126.66 1cbi s LEU 113 Ca 0.08 -1.29 -0.01 0.00 -0.22 0.00 0.00 54.13 52.70 1cbi s LEU 113 Cb -0.09 -2.00 0.04 0.00 0.50 0.00 0.00 46.19 44.64 1cbi s LEU 113 CO 0.02 -0.47 -0.04 0.00 -1.32 0.00 0.00 176.35 174.53 1cbi s ALA 114 N 1.48 1.44 -1.10 5.97 0.00 -0.82 -4.87 121.76 123.86 1cbi s ALA 114 Ca 0.02 -0.82 -0.18 0.00 0.00 0.00 0.00 51.96 50.98 1cbi s ALA 114 Cb -0.21 -1.13 -0.02 0.00 0.00 0.00 0.00 23.12 21.76 1cbi s ALA 114 CO 0.04 -0.83 0.81 0.09 0.00 0.00 0.00 175.76 175.87 1cbi n ASN 115 N 4.89 -5.60 -4.14 0.00 3.02 -1.26 -2.20 115.26 109.97 1cbi n ASN 115 Ca -0.11 -0.95 -0.32 0.00 -0.03 0.00 0.00 54.58 53.17 1cbi n ASN 115 Cb 0.48 -3.63 -0.04 0.00 -0.61 0.00 0.00 39.78 35.98 1cbi n ASN 115 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1cbi n ASP 116 N -2.71 -1.59 -3.86 6.41 8.00 -1.26 -4.96 116.55 116.58 1cbi n ASP 116 Ca -0.09 -1.05 -0.13 0.00 0.71 0.00 0.00 54.79 54.23 1cbi n ASP 116 Cb 0.59 -2.69 -0.14 0.00 -0.02 0.00 0.00 41.12 38.86 1cbi n ASP 116 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1cbi s GLU 117 N -6.85 0.03 -0.48 -1.24 2.02 -0.93 -4.44 118.70 106.81 1cbi s GLU 117 Ca 0.37 0.01 -0.12 0.00 0.02 0.00 0.00 54.97 55.25 1cbi s GLU 117 Cb -0.20 -0.06 0.11 0.00 0.10 0.00 0.00 34.13 34.07 1cbi s GLU 117 CO 0.93 -0.01 0.38 -1.17 0.02 0.00 0.00 175.26 175.40 1cbi s LEU 118 N 0.13 5.70 -0.57 1.80 2.96 -1.06 -1.94 118.68 125.70 1cbi s LEU 118 Ca -0.01 -1.69 -0.24 0.00 -0.22 0.00 0.00 54.13 51.97 1cbi s LEU 118 Cb -0.02 -2.09 0.05 0.00 0.50 0.00 0.00 46.19 44.63 1cbi s LEU 118 CO -0.00 -0.70 0.96 -0.63 -1.32 0.00 0.00 176.35 174.65 1cbi s ILE 119 N 1.49 4.36 -0.34 6.68 1.09 -0.21 -1.75 121.20 132.51 1cbi s ILE 119 Ca 0.04 0.18 -0.18 0.00 -1.10 0.00 0.00 60.65 59.59 1cbi s ILE 119 Cb -0.26 -4.57 -0.01 0.00 -1.06 0.00 0.00 42.46 36.56 1cbi s ILE 119 CO 0.02 -1.19 0.51 -0.22 -0.10 0.00 0.00 174.94 173.96 1cbi s LEU 120 N 4.02 4.33 -0.10 2.97 0.20 -0.05 -2.08 118.68 127.98 1cbi s LEU 120 Ca 0.29 0.00 0.01 0.00 0.69 0.00 0.00 54.13 55.13 1cbi s LEU 120 Cb -0.13 -2.58 -0.02 0.00 -0.43 0.00 0.00 46.19 43.03 1cbi s LEU 120 CO 0.18 -0.46 -0.13 -0.89 -0.29 0.00 0.00 176.35 174.75 1cbi s THR 121 N 2.38 3.08 0.09 3.68 2.01 -0.21 -0.94 115.64 125.72 1cbi s THR 121 Ca 0.19 -0.68 0.09 0.00 0.31 0.00 0.00 61.69 61.60 1cbi s THR 121 Cb -0.15 -2.26 -0.04 0.00 0.01 0.00 0.00 72.50 70.06 1cbi s THR 121 CO 0.13 0.55 -0.24 -0.36 -0.69 0.00 0.00 174.62 174.01 1cbi s PHE 122 N -0.08 2.40 -0.00 4.92 0.08 -0.03 -1.26 117.98 124.00 1cbi s PHE 122 Ca -0.02 -0.35 -0.08 0.00 0.12 0.00 0.00 56.93 56.60 1cbi s PHE 122 Cb -0.14 -1.35 0.01 0.00 -0.57 0.00 0.00 43.02 40.97 1cbi s PHE 122 CO 0.04 0.27 0.16 0.20 -0.10 0.00 0.00 175.22 175.79 1cbi s GLY 123 N -1.73 0.01 -0.26 4.36 0.00 -1.00 0.06 107.32 108.76 1cbi s GLY 123 Ca 0.14 -0.04 -0.01 0.00 0.00 0.00 0.00 44.72 44.81 1cbi s GLY 123 CO 0.05 -0.18 0.41 0.00 0.00 0.00 0.00 173.10 173.38 1cbi s ALA 124 N -1.30 -1.27 0.00 3.20 0.00 0.46 -2.68 121.76 120.17 1cbi s ALA 124 Ca -0.14 0.81 0.00 0.00 0.00 0.00 0.00 51.96 52.64 1cbi s ALA 124 Cb -0.07 -1.86 0.00 0.00 0.00 0.00 0.00 23.12 21.19 1cbi s ALA 124 CO 0.02 -1.42 0.00 -0.25 0.00 0.00 0.00 175.76 174.11 1cbi n ASP 125 N 5.37 0.00 0.08 0.00 8.00 -0.25 -1.78 116.55 127.98 1cbi n ASP 125 Ca -0.02 0.00 0.03 0.00 0.71 0.00 0.00 54.79 55.51 1cbi n ASP 125 Cb 0.50 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.58 1cbi n ASP 125 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1cbi h ASP 126 N 0.00 0.00 -3.76 -2.24 3.32 -1.97 -3.47 116.42 108.30 1cbi h ASP 126 Ca 0.00 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.53 1cbi h ASP 126 Cb 0.00 0.00 0.04 0.00 0.22 0.00 0.00 39.33 39.59 1cbi h ASP 126 CO 0.00 0.43 0.57 -0.69 -1.72 0.00 0.00 179.24 177.83 1cbi s VAL 127 N -3.02 3.14 -0.02 -1.35 1.01 -0.73 -5.04 120.40 114.38 1cbi s VAL 127 Ca 0.00 1.10 0.01 0.00 0.00 0.00 0.00 61.98 63.09 1cbi s VAL 127 Cb 0.08 -3.70 0.02 0.00 0.00 0.00 0.00 36.38 32.78 1cbi s VAL 127 CO 0.78 0.24 -0.01 -0.69 0.00 0.00 0.00 175.10 175.43 1cbi s VAL 128 N -0.92 0.18 -0.02 2.92 1.01 -1.26 -0.40 120.40 121.91 1cbi s VAL 128 Ca 0.48 0.01 0.05 0.00 0.00 0.00 0.00 61.98 62.52 1cbi s VAL 128 Cb -0.36 -0.23 -0.03 0.00 0.00 0.00 0.00 36.38 35.77 1cbi s VAL 128 CO 0.45 0.11 -0.17 0.00 0.00 0.00 0.00 175.10 175.49 1cbi s THR 130 N -0.78 1.22 -0.07 0.00 2.01 -0.82 -0.85 115.64 116.35 1cbi s THR 130 Ca 0.12 -0.46 0.03 0.00 0.31 0.00 0.00 61.69 61.70 1cbi s THR 130 Cb -0.10 -1.15 0.00 0.00 0.01 0.00 0.00 72.50 71.26 1cbi s THR 130 CO 0.02 0.39 -0.18 -0.13 -0.69 0.00 0.00 174.62 174.03 1cbi s ARG 131 N 1.19 2.23 -0.14 4.92 0.52 -0.12 -1.10 118.95 126.46 1cbi s ARG 131 Ca -0.04 -0.64 -0.02 0.00 -0.52 0.00 0.00 55.73 54.51 1cbi s ARG 131 Cb -0.14 -1.78 -0.02 0.00 0.52 0.00 0.00 34.95 33.52 1cbi s ARG 131 CO -0.03 0.14 -0.08 0.42 0.02 0.00 0.00 175.30 175.77 1cbi s ILE 132 N 0.40 3.56 0.27 1.52 1.01 0.55 -0.87 121.20 127.63 1cbi s ILE 132 Ca -0.14 -0.48 0.08 0.00 0.00 0.00 0.00 60.65 60.11 1cbi s ILE 132 Cb -0.16 -2.53 -0.04 0.00 0.01 0.00 0.00 42.46 39.75 1cbi s ILE 132 CO 0.05 0.51 0.11 -0.31 0.00 0.00 0.00 174.94 175.31 1cbi s TYR 133 N 0.26 2.90 0.03 3.97 1.51 -0.72 -0.11 117.35 125.20 1cbi s TYR 133 Ca -0.05 -0.18 -0.03 0.00 -1.01 0.00 0.00 57.07 55.79 1cbi s TYR 133 Cb -0.15 -1.35 -0.02 0.00 -0.11 0.00 0.00 41.96 40.34 1cbi s TYR 133 CO 0.04 0.54 0.03 0.14 -1.11 0.00 0.00 175.55 175.19 1cbi s VAL 134 N -2.24 0.14 0.15 0.71 -7.23 0.68 -2.57 120.40 110.05 1cbi s VAL 134 Ca 0.33 -1.18 -0.31 0.00 -1.81 0.00 0.00 61.98 59.00 1cbi s VAL 134 Cb -0.07 -0.82 -0.10 0.00 0.56 0.00 0.00 36.38 35.95 1cbi s VAL 134 CO 0.23 -0.65 1.73 -0.13 -0.31 0.00 0.00 175.10 175.96 1cbi s ARG 135 N -2.50 4.15 0.00 4.82 0.52 -1.26 -1.12 118.95 123.56 1cbi s ARG 135 Ca -0.06 2.52 0.30 0.00 -0.52 0.00 0.00 55.73 57.97 1cbi s ARG 135 Cb -0.02 -3.37 1.39 0.00 0.52 0.00 0.00 34.95 33.47 1cbi s ARG 135 CO -0.04 -0.76 1.94 -1.91 0.02 0.00 0.00 175.30 174.54