#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bkd n GLU 2 N 0.00 0.00 -2.25 0.03 4.07 -1.26 -4.99 120.64 116.24 2bkd n GLU 2 Ca 0.00 0.00 -0.06 0.00 -0.06 0.00 0.00 57.16 57.04 2bkd n GLU 2 Cb 0.00 0.00 0.03 0.00 -0.06 0.00 0.00 31.44 31.41 2bkd n GLU 2 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 2bkd n GLU 3 N 0.00 -0.96 -3.32 5.31 2.13 -1.26 -4.98 120.64 117.56 2bkd n GLU 3 Ca 0.00 0.39 -0.38 0.00 0.66 0.00 0.00 57.16 57.82 2bkd n GLU 3 Cb 0.00 -3.37 -0.06 0.00 0.27 0.00 0.00 31.44 28.28 2bkd n GLU 3 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2bkd s LEU 4 N -4.00 4.45 -0.16 4.31 2.01 -1.25 -4.96 118.68 119.07 2bkd s LEU 4 Ca 0.19 1.09 -0.20 0.00 0.01 0.00 0.00 54.13 55.22 2bkd s LEU 4 Cb -0.03 -2.80 -0.03 0.00 0.01 0.00 0.00 46.19 43.35 2bkd s LEU 4 CO 0.32 0.20 0.59 0.54 1.01 0.00 0.00 176.35 179.00 2bkd s VAL 5 N -0.58 5.08 0.35 -1.59 0.11 -1.26 -0.80 120.40 121.71 2bkd s VAL 5 Ca 0.28 1.13 0.04 0.00 -2.93 0.00 0.00 61.98 60.51 2bkd s VAL 5 Cb -0.18 -3.91 -0.06 0.00 -1.53 0.00 0.00 36.38 30.70 2bkd s VAL 5 CO 0.16 0.19 0.05 0.54 -3.33 0.00 0.00 175.10 172.71 2bkd s VAL 6 N 1.40 1.33 0.15 2.04 0.11 -0.47 -4.54 120.40 120.40 2bkd s VAL 6 Ca 0.29 -2.00 0.11 0.00 -2.93 0.00 0.00 61.98 57.45 2bkd s VAL 6 Cb -0.16 -2.80 -0.04 0.00 -1.53 0.00 0.00 36.38 31.85 2bkd s VAL 6 CO 0.11 0.00 -0.25 -1.61 -3.33 0.00 0.00 175.10 170.02 2bkd s GLU 7 N -3.85 1.47 0.16 1.54 2.02 -0.72 -1.29 118.70 118.02 2bkd s GLU 7 Ca 0.35 -1.38 0.07 0.00 0.02 0.00 0.00 54.97 54.02 2bkd s GLU 7 Cb 0.09 -1.90 -0.04 0.00 0.10 0.00 0.00 34.13 32.37 2bkd s GLU 7 CO 0.16 0.44 -0.15 0.14 0.02 0.00 0.00 175.26 175.86 2bkd s VAL 8 N -1.24 1.57 0.43 2.63 -7.23 -0.32 -0.60 120.40 115.64 2bkd s VAL 8 Ca 0.16 -1.91 -0.07 0.00 -1.81 0.00 0.00 61.98 58.36 2bkd s VAL 8 Cb -0.09 -1.76 -0.05 0.00 0.56 0.00 0.00 36.38 35.03 2bkd s VAL 8 CO 0.07 -0.44 0.75 0.00 -0.31 0.00 0.00 175.10 175.17 2bkd s ARG 9 N -2.98 3.62 0.00 4.82 1.70 -0.96 -1.12 118.95 124.04 2bkd s ARG 9 Ca 0.14 0.24 0.00 0.00 -0.47 0.00 0.00 55.73 55.64 2bkd s ARG 9 Cb -0.04 -2.42 0.00 0.00 -0.57 0.00 0.00 34.95 31.92 2bkd s ARG 9 CO 0.05 -0.09 0.00 0.41 -1.08 0.00 0.00 175.30 174.58 2bkd n GLY 10 N -1.80 0.67 0.33 3.88 0.00 -1.25 -4.92 105.19 102.09 2bkd n GLY 10 Ca 0.01 -0.82 0.17 0.00 0.00 0.00 0.00 46.02 45.38 2bkd n GLY 10 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2bkd h SER 11 N 0.00 0.00 -0.80 1.61 0.87 -1.98 -1.01 113.55 112.24 2bkd h SER 11 Ca 0.00 0.00 0.23 0.00 -1.23 0.00 0.00 61.79 60.79 2bkd h SER 11 Cb 0.00 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 2bkd h SER 11 CO 0.00 0.00 0.57 -1.13 -0.53 0.00 0.00 176.83 175.74 2bkd h ASN 12 N 0.00 0.02 0.00 6.23 -0.73 -1.97 -3.45 115.58 115.67 2bkd h ASN 12 Ca 0.06 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.23 2bkd h ASN 12 Cb 0.35 -0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.94 2bkd h ASN 12 CO -0.00 0.01 0.00 0.61 -0.37 0.00 0.00 177.43 177.68 2bkd n GLY 13 N -1.69 0.59 0.00 1.57 0.00 -0.38 -4.97 105.19 100.31 2bkd n GLY 13 Ca 0.16 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.82 2bkd n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bkd n ALA 14 N 0.23 0.00 -2.79 4.61 0.00 -1.26 -5.04 120.51 116.26 2bkd n ALA 14 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 2bkd n ALA 14 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 2bkd n ALA 14 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2bkd s PHE 15 N -0.10 3.17 -0.07 0.00 0.08 -1.26 -3.76 117.98 116.04 2bkd s PHE 15 Ca 0.00 0.03 0.05 0.00 0.12 0.00 0.00 56.93 57.13 2bkd s PHE 15 Cb 0.00 -1.57 -0.01 0.00 -0.57 0.00 0.00 43.02 40.87 2bkd s PHE 15 CO 0.00 0.52 -0.21 0.71 -0.10 0.00 0.00 175.22 176.14 2bkd s TYR 16 N -1.57 2.55 -0.17 0.36 1.51 -0.27 -4.96 117.35 114.80 2bkd s TYR 16 Ca 0.30 -0.62 -0.28 0.00 -1.01 0.00 0.00 57.07 55.46 2bkd s TYR 16 Cb -0.11 -1.65 -0.01 0.00 -0.11 0.00 0.00 41.96 40.08 2bkd s TYR 16 CO 0.23 -0.15 0.96 0.15 -1.11 0.00 0.00 175.55 175.63 2bkd s LYS 17 N -0.16 4.32 -0.05 -0.62 3.01 -1.26 -1.18 119.74 123.80 2bkd s LYS 17 Ca -0.03 1.26 -0.00 0.00 -1.01 0.00 0.00 55.97 56.19 2bkd s LYS 17 Cb -0.14 -3.59 0.03 0.00 -1.01 0.00 0.00 37.83 33.12 2bkd s LYS 17 CO 0.04 -0.43 -0.01 0.00 0.51 0.00 0.00 175.35 175.45 2bkd s ALA 18 N 2.47 0.60 -0.19 5.17 0.00 -0.41 -4.63 121.76 124.77 2bkd s ALA 18 Ca 0.44 -0.03 -0.05 0.00 0.00 0.00 0.00 51.96 52.31 2bkd s ALA 18 Cb -0.17 -0.54 -0.02 0.00 0.00 0.00 0.00 23.12 22.39 2bkd s ALA 18 CO 0.12 -0.22 -0.01 -0.06 0.00 0.00 0.00 175.76 175.59 2bkd s PHE 19 N 1.40 3.03 0.05 0.00 0.08 0.40 -1.37 117.98 121.57 2bkd s PHE 19 Ca -0.04 -0.46 -0.30 0.00 0.12 0.00 0.00 56.93 56.25 2bkd s PHE 19 Cb -0.13 -2.06 -0.08 0.00 -0.57 0.00 0.00 43.02 40.18 2bkd s PHE 19 CO -0.03 -0.22 1.78 0.08 -0.10 0.00 0.00 175.22 176.74 2bkd s VAL 20 N 0.89 3.01 -0.04 -0.44 1.01 0.02 -1.10 120.40 123.76 2bkd s VAL 20 Ca 0.01 0.30 -0.03 0.00 0.00 0.00 0.00 61.98 62.25 2bkd s VAL 20 Cb -0.14 -3.19 -0.01 0.00 0.00 0.00 0.00 36.38 33.03 2bkd s VAL 20 CO 0.02 -0.01 -0.06 0.29 0.00 0.00 0.00 175.10 175.33 2bkd n LYS 21 N 6.40 0.11 -4.46 2.72 5.02 0.45 -3.86 118.16 124.54 2bkd n LYS 21 Ca 0.18 0.13 -0.32 0.00 -2.02 0.00 0.00 58.31 56.28 2bkd n LYS 21 Cb 0.40 -0.78 -0.11 0.00 -0.02 0.00 0.00 35.03 34.53 2bkd n LYS 21 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2bkd s ASP 22 N -4.27 4.50 -0.05 4.39 -1.08 -0.86 -4.93 116.67 114.36 2bkd s ASP 22 Ca -0.05 -0.21 0.04 0.00 -0.52 0.00 0.00 52.55 51.82 2bkd s ASP 22 Cb 0.01 -1.00 -0.00 0.00 -1.46 0.00 0.00 42.92 40.47 2bkd s ASP 22 CO 0.08 0.27 -0.19 0.68 0.52 0.00 0.00 175.17 176.53 2bkd s VAL 23 N -1.01 1.56 -0.10 1.11 -7.23 -1.26 -0.82 120.40 112.65 2bkd s VAL 23 Ca 0.17 -0.78 -0.14 0.00 -1.81 0.00 0.00 61.98 59.41 2bkd s VAL 23 Cb -0.11 -1.34 -0.27 0.00 0.56 0.00 0.00 36.38 35.21 2bkd s VAL 23 CO 0.08 0.45 0.54 -0.08 -0.31 0.00 0.00 175.10 175.77 2bkd h GLU 25 N 6.29 0.25 0.04 4.82 4.81 -2.05 -3.50 114.58 125.24 2bkd h GLU 25 Ca -0.32 -0.44 -0.36 0.00 -0.13 0.00 0.00 59.36 58.12 2bkd h GLU 25 Cb 1.18 0.16 -0.05 0.00 0.63 0.00 0.00 28.75 30.67 2bkd h GLU 25 CO 0.48 1.21 -2.19 -0.40 -0.73 0.00 0.00 179.01 177.38 2bkd n ASP 26 N -3.86 1.47 -3.48 1.04 5.75 -1.26 -5.07 116.55 111.14 2bkd n ASP 26 Ca -0.26 0.09 -0.10 0.00 -0.01 0.00 0.00 54.79 54.51 2bkd n ASP 26 Cb 0.93 -0.23 -0.02 0.00 -1.03 0.00 0.00 41.12 40.76 2bkd n ASP 26 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2bkd s SER 27 N -6.42 0.18 -0.03 -1.12 0.15 -1.26 -4.43 113.70 100.77 2bkd s SER 27 Ca -0.21 -1.09 0.03 0.00 0.70 0.00 0.00 55.95 55.37 2bkd s SER 27 Cb 0.08 0.70 0.00 0.00 -1.71 0.00 0.00 66.02 65.09 2bkd s SER 27 CO 0.73 -1.36 -0.10 -0.51 1.20 0.00 0.00 173.24 173.20 2bkd s ILE 28 N -3.28 0.89 -0.18 6.45 2.07 -0.58 -4.61 121.20 121.96 2bkd s ILE 28 Ca 0.21 -0.41 -0.09 0.00 -1.41 0.00 0.00 60.65 58.95 2bkd s ILE 28 Cb -0.03 -0.79 -0.05 0.00 0.13 0.00 0.00 42.46 41.73 2bkd s ILE 28 CO 0.12 0.27 0.11 0.42 -1.91 0.00 0.00 174.94 173.96 2bkd s THR 29 N 0.20 5.21 0.06 4.00 -4.23 0.00 -1.54 115.64 119.35 2bkd s THR 29 Ca -0.04 0.11 -0.03 0.00 -1.18 0.00 0.00 61.69 60.56 2bkd s THR 29 Cb -0.09 -3.35 -0.03 0.00 1.34 0.00 0.00 72.50 70.37 2bkd s THR 29 CO 0.01 0.48 0.02 0.68 -0.54 0.00 0.00 174.62 175.26 2bkd s VAL 30 N 0.14 0.20 0.03 2.29 -7.23 -0.08 -0.41 120.40 115.34 2bkd s VAL 30 Ca 0.08 -1.66 -0.08 0.00 -1.81 0.00 0.00 61.98 58.51 2bkd s VAL 30 Cb -0.12 -1.48 -0.00 0.00 0.56 0.00 0.00 36.38 35.35 2bkd s VAL 30 CO -0.00 -0.92 0.15 0.00 -0.31 0.00 0.00 175.10 174.01 2bkd s ALA 31 N -3.90 -0.25 0.11 1.32 0.00 -0.26 -1.23 121.76 117.55 2bkd s ALA 31 Ca 0.07 -0.34 0.05 0.00 0.00 0.00 0.00 51.96 51.73 2bkd s ALA 31 Cb 0.07 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.38 2bkd s ALA 31 CO -0.10 -0.31 0.03 -0.06 0.00 0.00 0.00 175.76 175.32 2bkd s PHE 32 N -2.32 3.02 0.09 0.00 0.08 -1.26 -0.45 117.98 117.14 2bkd s PHE 32 Ca -0.07 -0.02 -0.32 0.00 0.12 0.00 0.00 56.93 56.63 2bkd s PHE 32 Cb -0.02 -1.53 -0.11 0.00 -0.57 0.00 0.00 43.02 40.79 2bkd s PHE 32 CO -0.03 0.50 1.81 0.39 -0.10 0.00 0.00 175.22 177.78 2bkd n GLU 33 N 0.33 2.59 -2.10 0.44 1.02 -1.26 -4.80 120.64 116.86 2bkd n GLU 33 Ca -0.10 0.94 -0.42 0.00 -0.02 0.00 0.00 57.16 57.56 2bkd n GLU 33 Cb 0.53 -2.81 0.00 0.00 -0.02 0.00 0.00 31.44 29.14 2bkd n GLU 33 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2bkd n ASN 34 N 5.48 4.46 0.00 1.62 5.15 -1.26 -4.25 115.26 126.46 2bkd n ASN 34 Ca 0.19 -2.94 0.00 0.00 -0.60 0.00 0.00 54.58 51.22 2bkd n ASN 34 Cb 0.35 -1.61 0.00 0.00 -0.53 0.00 0.00 39.78 37.99 2bkd n ASN 34 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 2bkd n ASN 35 N 5.64 1.37 0.00 1.20 2.85 -1.26 -4.99 115.26 120.07 2bkd n ASN 35 Ca 0.47 -1.57 0.00 0.00 -0.11 0.00 0.00 54.58 53.37 2bkd n ASN 35 Cb 0.39 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.41 2bkd n ASN 35 CO 0.00 0.00 0.00 -2.67 -2.11 0.00 0.00 177.26 172.48 2bkd n TRP 36 N -0.28 -0.95 -4.77 1.20 4.27 -1.26 -5.15 117.44 110.50 2bkd n TRP 36 Ca 0.00 0.00 -0.32 0.00 -3.89 0.00 0.00 57.50 53.29 2bkd n TRP 36 Cb 0.23 0.24 -0.13 0.00 -1.36 0.00 0.00 31.31 30.29 2bkd n TRP 36 CO 0.00 0.00 0.00 -0.65 -2.29 0.00 0.00 177.69 174.75 2bkd s GLN 37 N -0.48 2.42 0.71 -2.67 -1.52 -1.26 -5.12 119.66 111.73 2bkd s GLN 37 Ca 0.00 -0.76 -0.06 0.00 -1.95 0.00 0.00 55.36 52.59 2bkd s GLN 37 Cb 0.00 -2.36 0.08 0.00 -0.22 0.00 0.00 33.01 30.51 2bkd s GLN 37 CO 0.00 0.60 1.01 -1.25 -0.25 0.00 0.00 175.29 175.40 2bkd s PRO 38 N -1.00 2.07 0.00 2.91 0.04 -1.26 -4.63 135.00 133.13 2bkd s PRO 38 Ca 0.13 -0.42 0.00 0.00 0.04 0.00 0.00 61.00 60.75 2bkd s PRO 38 Cb -0.11 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 32.23 2bkd s PRO 38 CO 0.03 -1.29 0.00 -3.47 0.04 0.00 0.00 177.00 172.31 2bkd n ASP 39 N -2.90 0.00 -4.30 6.66 -0.08 -1.26 -4.88 116.55 109.78 2bkd n ASP 39 Ca 0.09 0.00 -0.22 0.00 -1.51 0.00 0.00 54.79 53.15 2bkd n ASP 39 Cb 0.60 0.00 -0.12 0.00 2.34 0.00 0.00 41.12 43.94 2bkd n ASP 39 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 2bkd s ARG 40 N 0.00 1.17 -0.16 -0.67 6.06 -0.37 -5.03 118.95 119.96 2bkd s ARG 40 Ca 0.00 -1.27 0.01 0.00 -2.50 0.00 0.00 55.73 51.98 2bkd s ARG 40 Cb 0.00 -1.31 0.02 0.00 0.06 0.00 0.00 34.95 33.72 2bkd s ARG 40 CO 0.00 0.28 -0.19 -1.14 -2.50 0.00 0.00 175.30 171.75 2bkd s GLN 41 N -2.34 2.83 -0.02 5.12 0.74 -1.26 -0.90 119.66 123.83 2bkd s GLN 41 Ca 0.10 -0.77 0.06 0.00 0.05 0.00 0.00 55.36 54.80 2bkd s GLN 41 Cb -0.08 -2.39 -0.01 0.00 1.10 0.00 0.00 33.01 31.63 2bkd s GLN 41 CO 0.05 -0.13 -0.19 0.42 -0.55 0.00 0.00 175.29 174.88 2bkd s ILE 42 N 1.13 1.54 0.77 -2.34 1.01 -0.59 -4.98 121.20 117.74 2bkd s ILE 42 Ca -0.00 -0.82 -0.07 0.00 0.00 0.00 0.00 60.65 59.76 2bkd s ILE 42 Cb -0.14 -1.29 0.11 0.00 0.01 0.00 0.00 42.46 41.16 2bkd s ILE 42 CO -0.08 0.44 1.08 -2.16 0.00 0.00 0.00 174.94 174.22 2bkd s PRO 43 N -0.35 1.66 0.00 2.79 0.04 -1.26 -1.53 135.00 136.34 2bkd s PRO 43 Ca 0.05 -0.55 -0.00 0.00 0.04 0.00 0.00 61.00 60.53 2bkd s PRO 43 Cb -0.09 -2.14 -0.02 0.00 0.04 0.00 0.00 34.50 32.30 2bkd s PRO 43 CO -0.00 -1.59 0.57 1.19 0.04 0.00 0.00 177.00 177.21 2bkd n PHE 44 N -3.10 0.00 0.00 0.56 3.72 -1.26 -2.11 117.46 115.27 2bkd n PHE 44 Ca 0.12 -0.19 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 2bkd n PHE 44 Cb 0.60 -0.40 0.00 0.00 -0.94 0.00 0.00 39.48 38.74 2bkd n PHE 44 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2bkd n ASP 46 N 2.29 0.00 -4.91 4.37 8.00 -1.26 -4.72 116.55 120.32 2bkd n ASP 46 Ca 0.02 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.23 2bkd n ASP 46 Cb 0.10 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.16 2bkd n ASP 46 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2bkd s VAL 47 N 0.00 5.16 -0.06 2.53 0.11 -0.89 -2.26 120.40 124.98 2bkd s VAL 47 Ca 0.00 -0.11 -0.03 0.00 -2.93 0.00 0.00 61.98 58.92 2bkd s VAL 47 Cb 0.00 -3.68 0.04 0.00 -1.53 0.00 0.00 36.38 31.21 2bkd s VAL 47 CO 0.00 -0.09 0.14 -0.60 -3.33 0.00 0.00 175.10 171.22 2bkd s ARG 48 N -3.02 0.08 -0.06 1.54 3.52 0.23 -4.48 118.95 116.76 2bkd s ARG 48 Ca 0.40 0.37 -0.24 0.00 -0.13 0.00 0.00 55.73 56.13 2bkd s ARG 48 Cb -0.12 -0.19 -0.04 0.00 -1.56 0.00 0.00 34.95 33.05 2bkd s ARG 48 CO 0.27 -0.18 0.74 -0.06 -0.81 0.00 0.00 175.30 175.26 2bkd s PHE 49 N 1.24 3.59 -0.04 5.12 0.08 -1.03 -1.76 117.98 125.17 2bkd s PHE 49 Ca -0.08 1.31 -0.20 0.00 0.12 0.00 0.00 56.93 58.07 2bkd s PHE 49 Cb -0.12 -2.85 -0.14 0.00 -0.57 0.00 0.00 43.02 39.34 2bkd s PHE 49 CO -0.06 0.07 0.85 -1.00 -0.10 0.00 0.00 175.22 174.98 2bkd h PRO 50 N 6.77 -0.30 -6.45 0.24 0.13 -1.89 -3.37 132.00 127.13 2bkd h PRO 50 Ca -0.41 0.02 -0.54 0.00 -0.87 0.00 0.00 66.00 64.20 2bkd h PRO 50 Cb 1.20 0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 2bkd h PRO 50 CO 0.75 0.06 0.49 -1.25 -0.23 0.00 0.00 178.00 177.82 2bkd s PRO 51 N -3.51 4.48 0.00 1.56 0.04 -1.26 -4.83 135.00 131.48 2bkd s PRO 51 Ca -0.12 1.63 0.00 0.00 0.04 0.00 0.00 61.00 62.56 2bkd s PRO 51 Cb 0.01 -3.40 0.00 0.00 0.04 0.00 0.00 34.50 31.15 2bkd s PRO 51 CO 0.43 -0.18 0.00 -0.35 0.04 0.00 0.00 177.00 176.93 2bkd n PRO 52 N 3.95 3.43 -5.05 0.56 -0.04 -1.26 -4.77 135.00 131.82 2bkd n PRO 52 Ca 0.08 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.25 2bkd n PRO 52 Cb 0.48 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.78 2bkd n PRO 52 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2bkd s VAL 53 N 1.18 1.74 0.00 0.52 1.01 -1.26 -4.92 120.40 118.67 2bkd s VAL 53 Ca 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.08 2bkd s VAL 53 Cb 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 36.38 34.90 2bkd s VAL 53 CO 0.00 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.20 2bkd n GLY 54 N 3.00 2.00 1.51 4.51 0.00 -1.26 -4.82 105.19 110.13 2bkd n GLY 54 Ca -0.18 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.64 2bkd n GLY 54 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2bkd n TYR 55 N 0.00 -2.96 -5.26 1.61 4.01 -1.26 -5.08 117.16 108.22 2bkd n TYR 55 Ca 0.00 1.78 -0.31 0.00 -0.16 0.00 0.00 57.90 59.21 2bkd n TYR 55 Cb 0.00 -3.03 -0.16 0.00 -0.31 0.00 0.00 39.34 35.83 2bkd n TYR 55 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 2bkd s ASN 56 N -0.32 3.12 0.09 7.72 -0.87 -1.26 -5.13 114.94 118.29 2bkd s ASN 56 Ca 0.00 -0.48 -0.13 0.00 -1.57 0.00 0.00 52.86 50.68 2bkd s ASN 56 Cb 0.00 -0.66 -0.06 0.00 -0.02 0.00 0.00 41.25 40.51 2bkd s ASN 56 CO 0.00 0.28 0.47 -0.75 -2.57 0.00 0.00 177.10 174.53 2bkd s LYS 57 N -0.36 3.89 0.00 -0.60 2.20 -1.26 -4.96 119.74 118.65 2bkd s LYS 57 Ca 0.02 0.36 0.00 0.00 -0.36 0.00 0.00 55.97 55.99 2bkd s LYS 57 Cb -0.12 -3.01 0.00 0.00 -1.51 0.00 0.00 37.83 33.19 2bkd s LYS 57 CO 0.02 0.55 0.00 -3.47 -0.36 0.00 0.00 175.35 172.09 2bkd n ASP 58 N 1.02 0.00 -1.33 1.43 2.03 -1.26 -5.16 116.55 113.28 2bkd n ASP 58 Ca -0.08 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.23 2bkd n ASP 58 Cb 0.52 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 2bkd n ASP 58 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2bkd n ILE 59 N 0.00 -4.43 -2.59 5.18 0.13 -1.26 -4.98 119.36 111.41 2bkd n ILE 59 Ca 0.00 1.91 -0.15 0.00 -1.10 0.00 0.00 62.75 63.40 2bkd n ILE 59 Cb 0.00 -2.74 0.02 0.00 -0.84 0.00 0.00 39.64 36.07 2bkd n ILE 59 CO 0.00 0.00 0.00 0.59 2.80 0.00 0.00 176.55 179.94 2bkd n ASN 60 N 0.06 2.64 0.00 9.51 3.02 -1.26 -5.07 115.26 124.17 2bkd n ASN 60 Ca 0.00 -3.07 0.00 0.00 -0.03 0.00 0.00 54.58 51.48 2bkd n ASN 60 Cb 0.00 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 38.67 2bkd n ASN 60 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2bkd n GLU 61 N -0.22 0.00 -1.57 3.52 1.02 -1.26 -4.39 120.64 117.74 2bkd n GLU 61 Ca 0.20 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.93 2bkd n GLU 61 Cb 0.76 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 32.17 2bkd n GLU 61 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2bkd n SER 62 N 6.42 4.23 0.00 1.62 7.64 -1.26 -4.79 113.62 127.48 2bkd n SER 62 Ca 0.00 -2.77 0.00 0.00 1.01 0.00 0.00 58.87 57.11 2bkd n SER 62 Cb 0.00 -1.55 0.00 0.00 -1.01 0.00 0.00 64.21 61.65 2bkd n SER 62 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2bkd n ASP 63 N 5.98 0.55 -4.40 6.43 -0.08 -1.25 -4.86 116.55 118.93 2bkd n ASP 63 Ca 0.54 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 53.52 2bkd n ASP 63 Cb 0.37 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 43.69 2bkd n ASP 63 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 2bkd s GLU 64 N 1.95 1.89 0.19 -0.67 2.02 -1.26 -1.20 118.70 121.62 2bkd s GLU 64 Ca 0.00 -1.07 -0.02 0.00 0.02 0.00 0.00 54.97 53.90 2bkd s GLU 64 Cb 0.00 -2.07 -0.04 0.00 0.10 0.00 0.00 34.13 32.12 2bkd s GLU 64 CO 0.00 0.52 0.13 0.14 0.02 0.00 0.00 175.26 176.07 2bkd s VAL 65 N -0.89 0.02 -0.17 2.63 -7.23 -0.48 -4.95 120.40 109.35 2bkd s VAL 65 Ca 0.13 -1.94 -0.04 0.00 -1.81 0.00 0.00 61.98 58.32 2bkd s VAL 65 Cb -0.10 -2.37 -0.03 0.00 0.56 0.00 0.00 36.38 34.44 2bkd s VAL 65 CO 0.04 -0.11 -0.02 -1.61 -0.31 0.00 0.00 175.10 173.09 2bkd s GLU 66 N -4.12 3.69 -0.11 4.82 0.41 0.23 -0.83 118.70 122.79 2bkd s GLU 66 Ca 0.34 -0.50 0.02 0.00 -0.41 0.00 0.00 54.97 54.41 2bkd s GLU 66 Cb 0.07 -2.98 -0.01 0.00 -1.78 0.00 0.00 34.13 29.43 2bkd s GLU 66 CO 0.09 0.20 -0.17 0.14 -0.49 0.00 0.00 175.26 175.03 2bkd s VAL 67 N 0.50 2.75 -0.23 2.63 -7.23 0.29 -0.96 120.40 118.14 2bkd s VAL 67 Ca -0.02 -0.78 -0.05 0.00 -1.81 0.00 0.00 61.98 59.31 2bkd s VAL 67 Cb -0.14 -2.12 -0.02 0.00 0.56 0.00 0.00 36.38 34.66 2bkd s VAL 67 CO 0.02 0.54 0.01 -0.47 -0.31 0.00 0.00 175.10 174.90 2bkd s TYR 68 N 0.24 3.02 0.14 2.82 5.04 -1.17 -1.43 117.35 126.01 2bkd s TYR 68 Ca -0.11 -0.67 0.05 0.00 -2.44 0.00 0.00 57.07 53.91 2bkd s TYR 68 Cb -0.16 -2.16 -0.04 0.00 0.35 0.00 0.00 41.96 39.95 2bkd s TYR 68 CO 0.06 -0.44 -0.12 0.45 -1.34 0.00 0.00 175.55 174.16 2bkd s SER 69 N 1.50 1.93 0.44 4.32 0.15 -1.09 -4.97 113.70 115.98 2bkd s SER 69 Ca 0.06 -0.92 -0.23 0.00 0.70 0.00 0.00 55.95 55.55 2bkd s SER 69 Cb -0.15 -0.05 -0.08 0.00 -1.71 0.00 0.00 66.02 64.04 2bkd s SER 69 CO 0.00 -0.24 1.16 -0.13 1.20 0.00 0.00 173.24 175.24 2bkd s ARG 70 N -3.25 3.84 0.34 5.44 1.81 -1.26 -4.56 118.95 121.30 2bkd s ARG 70 Ca 0.13 1.79 0.04 0.00 -1.72 0.00 0.00 55.73 55.97 2bkd s ARG 70 Cb -0.01 -2.47 0.67 0.00 -0.45 0.00 0.00 34.95 32.69 2bkd s ARG 70 CO 0.02 -0.49 1.92 0.00 -0.68 0.00 0.00 175.30 176.07 2bkd h ALA 71 N 2.20 1.65 -3.00 2.13 0.00 -1.90 -3.41 119.26 116.92 2bkd h ALA 71 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2bkd h ALA 71 Cb 1.24 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2bkd h ALA 71 CO 0.61 0.20 0.00 0.09 0.00 0.00 0.00 179.25 180.15 2bkd n ASN 72 N -4.50 0.00 0.00 0.00 3.02 -1.26 -3.63 115.26 108.89 2bkd n ASN 72 Ca 0.13 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.68 2bkd n ASN 72 Cb 0.27 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.44 2bkd n ASN 72 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2bkd n GLU 73 N 0.00 0.00 -0.34 3.52 1.02 -1.26 -2.70 120.64 120.87 2bkd n GLU 73 Ca 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.21 2bkd n GLU 73 Cb 0.00 0.00 0.22 0.00 -0.02 0.00 0.00 31.44 31.64 2bkd n GLU 73 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2bkd n LYS 74 N 0.00 3.03 -0.86 3.49 4.81 -1.26 -5.07 118.16 122.30 2bkd n LYS 74 Ca 0.00 -2.47 0.02 0.00 -0.87 0.00 0.00 58.31 54.99 2bkd n LYS 74 Cb 0.00 -1.58 -0.01 0.00 0.02 0.00 0.00 35.03 33.46 2bkd n LYS 74 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2bkd n GLU 75 N 0.24 -2.19 -0.62 1.64 4.71 -1.10 -5.02 120.64 118.31 2bkd n GLU 75 Ca 0.17 1.72 -0.13 0.00 -0.01 0.00 0.00 57.16 58.92 2bkd n GLU 75 Cb 0.67 -2.22 0.10 0.00 -1.01 0.00 0.00 31.44 28.98 2bkd n GLU 75 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 2bkd n PRO 76 N -2.42 -1.31 -0.63 3.49 -0.04 -1.24 -4.75 135.00 128.10 2bkd n PRO 76 Ca -0.01 -0.81 0.00 0.00 -0.04 0.00 0.00 63.50 62.63 2bkd n PRO 76 Cb 0.30 -0.65 0.00 0.00 -0.04 0.00 0.00 33.50 33.10 2bkd n PRO 76 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2bkd n TRP 79 N 5.42 -1.80 -2.44 0.00 -0.00 -1.25 -2.67 117.44 114.69 2bkd n TRP 79 Ca -0.04 -1.22 0.00 0.00 -0.00 0.00 0.00 57.50 56.24 2bkd n TRP 79 Cb 0.51 1.33 0.00 0.00 -0.00 0.00 0.00 31.31 33.15 2bkd n TRP 79 CO 0.00 0.00 0.00 0.91 -0.00 0.00 0.00 177.69 178.60 2bkd n TRP 80 N 1.39 -0.25 -2.59 5.87 8.01 -0.51 -4.91 117.44 124.44 2bkd n TRP 80 Ca 0.04 0.00 -0.41 0.00 -1.31 0.00 0.00 57.50 55.82 2bkd n TRP 80 Cb 0.68 0.00 -0.04 0.00 -2.01 0.00 0.00 31.31 29.94 2bkd n TRP 80 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 177.69 176.20 2bkd s LEU 81 N 0.00 4.52 0.04 -0.99 -0.00 -1.26 -0.55 118.68 120.44 2bkd s LEU 81 Ca 0.00 2.02 -0.07 0.00 -0.00 0.00 0.00 54.13 56.08 2bkd s LEU 81 Cb 0.00 -3.60 -0.01 0.00 -0.00 0.00 0.00 46.19 42.58 2bkd s LEU 81 CO 0.00 -0.13 0.13 0.00 -0.00 0.00 0.00 176.35 176.35 2bkd s ALA 82 N -0.39 -0.14 -0.12 1.48 0.00 -0.01 -4.00 121.76 118.58 2bkd s ALA 82 Ca 0.47 -0.50 -0.06 0.00 0.00 0.00 0.00 51.96 51.88 2bkd s ALA 82 Cb -0.28 0.28 -0.04 0.00 0.00 0.00 0.00 23.12 23.08 2bkd s ALA 82 CO 0.34 -0.35 0.08 0.15 0.00 0.00 0.00 175.76 175.98 2bkd s LYS 83 N -2.74 3.43 -0.20 0.00 -0.14 -0.53 -1.38 119.74 118.18 2bkd s LYS 83 Ca -0.04 -0.27 -0.10 0.00 -1.36 0.00 0.00 55.97 54.21 2bkd s LYS 83 Cb -0.00 -3.07 -0.05 0.00 -1.68 0.00 0.00 37.83 33.02 2bkd s LYS 83 CO -0.05 0.63 0.13 0.08 -0.76 0.00 0.00 175.35 175.38 2bkd s VAL 84 N -0.65 5.35 -0.16 3.17 1.01 -0.34 -0.59 120.40 128.19 2bkd s VAL 84 Ca 0.12 0.17 -0.20 0.00 0.00 0.00 0.00 61.98 62.07 2bkd s VAL 84 Cb -0.12 -3.44 -0.23 0.00 0.00 0.00 0.00 36.38 32.59 2bkd s VAL 84 CO 0.02 0.43 0.39 0.03 0.00 0.00 0.00 175.10 175.98 2bkd h ARG 85 N 6.77 0.09 0.00 2.72 -0.00 -1.57 -3.31 114.38 119.08 2bkd h ARG 85 Ca -0.40 -0.15 0.19 0.00 -0.50 0.00 0.00 59.98 59.12 2bkd h ARG 85 Cb 1.15 0.06 -0.03 0.00 0.00 0.00 0.00 29.97 31.15 2bkd h ARG 85 CO 0.74 1.07 0.63 0.00 0.00 0.00 0.00 179.97 182.41 2bkd n MET 86 N -4.24 0.55 -4.60 0.04 0.00 -1.25 -4.44 117.12 103.17 2bkd n MET 86 Ca -0.27 -1.31 -0.33 0.00 0.00 0.00 0.00 57.70 55.78 2bkd n MET 86 Cb 0.74 1.82 -0.15 0.00 0.00 0.00 0.00 33.22 35.63 2bkd n MET 86 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 2bkd s ILE 87 N -2.07 2.72 -0.27 3.17 1.09 -1.26 -2.16 121.20 122.42 2bkd s ILE 87 Ca 0.23 -0.76 0.01 0.00 -1.10 0.00 0.00 60.65 59.03 2bkd s ILE 87 Cb -0.02 -2.14 0.08 0.00 -1.06 0.00 0.00 42.46 39.31 2bkd s ILE 87 CO 0.04 0.52 0.02 -0.75 -0.10 0.00 0.00 174.94 174.67 2bkd s LYS 88 N 0.71 1.23 -1.15 2.79 2.47 0.12 -4.88 119.74 121.03 2bkd s LYS 88 Ca -0.07 -1.12 -0.13 0.00 -1.56 0.00 0.00 55.97 53.10 2bkd s LYS 88 Cb -0.16 -2.48 -0.02 0.00 -1.46 0.00 0.00 37.83 33.71 2bkd s LYS 88 CO 0.02 -0.78 0.80 0.41 0.16 0.00 0.00 175.35 175.96 2bkd n GLY 89 N 4.69 -0.88 4.06 5.54 0.00 -1.26 -1.66 105.19 115.67 2bkd n GLY 89 Ca -0.06 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.38 2bkd n GLY 89 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2bkd n GLU 90 N -3.96 0.00 -3.82 1.61 1.02 -1.26 -4.98 120.64 109.25 2bkd n GLU 90 Ca -0.13 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.65 2bkd n GLU 90 Cb 0.62 -2.05 -0.07 0.00 -0.02 0.00 0.00 31.44 29.92 2bkd n GLU 90 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2bkd s PHE 91 N -1.36 3.50 -0.18 -0.32 0.40 -0.66 -4.32 117.98 115.04 2bkd s PHE 91 Ca 0.00 0.42 -0.09 0.00 -0.60 0.00 0.00 56.93 56.67 2bkd s PHE 91 Cb 0.00 -2.04 -0.05 0.00 0.51 0.00 0.00 43.02 41.45 2bkd s PHE 91 CO 0.00 0.52 0.12 0.71 0.70 0.00 0.00 175.22 177.27 2bkd s TYR 92 N -0.37 3.41 -0.28 0.36 1.51 0.42 0.15 117.35 122.55 2bkd s TYR 92 Ca 0.12 0.32 -0.09 0.00 -1.01 0.00 0.00 57.07 56.41 2bkd s TYR 92 Cb -0.12 -2.09 -0.02 0.00 -0.11 0.00 0.00 41.96 39.63 2bkd s TYR 92 CO 0.01 0.37 0.12 0.08 -1.11 0.00 0.00 175.55 175.02 2bkd s VAL 93 N 0.02 4.54 -0.02 0.71 1.01 -0.92 -1.56 120.40 124.18 2bkd s VAL 93 Ca 0.09 -0.26 0.06 0.00 0.00 0.00 0.00 61.98 61.86 2bkd s VAL 93 Cb -0.11 -3.22 -0.01 0.00 0.00 0.00 0.00 36.38 33.03 2bkd s VAL 93 CO -0.00 0.20 -0.19 0.27 0.00 0.00 0.00 175.10 175.38 2bkd s ILE 94 N 1.63 1.49 -0.25 2.22 -0.00 -0.64 -1.47 121.20 124.18 2bkd s ILE 94 Ca 0.05 -0.80 -0.09 0.00 -0.00 0.00 0.00 60.65 59.81 2bkd s ILE 94 Cb -0.16 -1.24 -0.04 0.00 -0.00 0.00 0.00 42.46 41.02 2bkd s ILE 94 CO 0.06 0.42 0.12 -0.70 -0.00 0.00 0.00 174.94 174.84 2bkd s GLU 95 N -0.43 3.86 -0.00 0.37 2.12 0.25 -2.04 118.70 122.83 2bkd s GLU 95 Ca 0.07 -0.37 -0.03 0.00 0.36 0.00 0.00 54.97 55.00 2bkd s GLU 95 Cb -0.07 -3.46 -0.04 0.00 0.26 0.00 0.00 34.13 30.82 2bkd s GLU 95 CO -0.01 -0.09 0.19 0.71 -0.54 0.00 0.00 175.26 175.52 2bkd s TYR 96 N 1.42 3.55 0.01 5.30 2.02 -1.25 -1.46 117.35 126.94 2bkd s TYR 96 Ca 0.06 0.35 -0.21 0.00 -0.37 0.00 0.00 57.07 56.91 2bkd s TYR 96 Cb -0.15 -1.83 -0.06 0.00 -0.40 0.00 0.00 41.96 39.53 2bkd s TYR 96 CO 0.06 0.64 0.61 0.00 -1.57 0.00 0.00 175.55 175.30 2bkd s ALA 97 N -1.34 3.49 0.00 3.71 0.00 -1.26 -4.75 121.76 121.61 2bkd s ALA 97 Ca 0.28 0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.30 2bkd s ALA 97 Cb -0.13 -2.76 0.00 0.00 0.00 0.00 0.00 23.12 20.23 2bkd s ALA 97 CO 0.19 0.19 0.00 0.00 0.00 0.00 0.00 175.76 176.14 2bkd n ALA 98 N 2.59 0.00 -0.60 0.00 0.00 -1.26 -4.92 120.51 116.32 2bkd n ALA 98 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2bkd n ALA 98 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 2bkd n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bkd n ASP 100 N -1.71 0.00 -3.79 0.00 5.75 -1.26 -5.01 116.55 110.54 2bkd n ASP 100 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 54.79 54.48 2bkd n ASP 100 Cb 0.00 0.00 -0.15 0.00 -1.03 0.00 0.00 41.12 39.94 2bkd n ASP 100 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2bkd s ALA 101 N -3.99 1.97 0.09 2.12 0.00 -1.26 -4.91 121.76 115.78 2bkd s ALA 101 Ca 0.00 -2.07 -0.09 0.00 0.00 0.00 0.00 51.96 49.80 2bkd s ALA 101 Cb 0.00 -1.76 -0.22 0.00 0.00 0.00 0.00 23.12 21.14 2bkd s ALA 101 CO 0.00 -1.77 1.18 1.15 0.00 0.00 0.00 175.76 176.33 2bkd h THR 102 N 6.22 1.37 0.00 0.00 2.02 -1.95 -3.51 112.91 117.07 2bkd h THR 102 Ca -0.09 -2.59 0.00 0.00 0.77 0.00 0.00 66.41 64.50 2bkd h THR 102 Cb 0.99 2.65 0.00 0.00 -1.74 0.00 0.00 68.15 70.06 2bkd h THR 102 CO 0.49 0.78 0.00 0.00 0.37 0.00 0.00 175.52 177.15 2bkd n TYR 103 N -3.72 -0.76 -3.52 3.16 9.36 -1.26 -4.95 117.16 115.47 2bkd n TYR 103 Ca -0.10 0.00 -0.35 0.00 3.32 0.00 0.00 57.90 60.77 2bkd n TYR 103 Cb 0.94 0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 39.60 2bkd n TYR 103 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2bkd s ASN 104 N -3.53 6.71 -0.06 2.98 4.22 -1.26 -3.94 114.94 120.05 2bkd s ASN 104 Ca 0.00 0.88 -0.08 0.00 -2.14 0.00 0.00 52.86 51.52 2bkd s ASN 104 Cb 0.00 -2.21 -0.04 0.00 1.28 0.00 0.00 41.25 40.27 2bkd s ASN 104 CO 0.00 0.19 0.22 -1.61 -2.04 0.00 0.00 177.10 173.86 2bkd s GLU 105 N -1.77 3.56 -0.26 3.55 2.02 -0.86 -4.96 118.70 119.98 2bkd s GLU 105 Ca 0.32 -0.02 -0.17 0.00 0.02 0.00 0.00 54.97 55.12 2bkd s GLU 105 Cb -0.15 -3.17 -0.03 0.00 0.10 0.00 0.00 34.13 30.89 2bkd s GLU 105 CO 0.17 0.73 0.49 0.96 0.02 0.00 0.00 175.26 177.64 2bkd s ILE 106 N -1.11 5.09 0.20 -1.63 -0.00 -1.26 -1.62 121.20 120.87 2bkd s ILE 106 Ca 0.20 0.83 -0.06 0.00 -0.00 0.00 0.00 60.65 61.62 2bkd s ILE 106 Cb -0.13 -3.81 -0.02 0.00 -0.00 0.00 0.00 42.46 38.50 2bkd s ILE 106 CO 0.09 0.10 0.27 0.54 -0.00 0.00 0.00 174.94 175.94 2bkd s VAL 107 N 2.26 0.02 0.26 8.37 0.11 -0.60 -4.98 120.40 125.83 2bkd s VAL 107 Ca 0.20 -1.68 0.06 0.00 -2.93 0.00 0.00 61.98 57.63 2bkd s VAL 107 Cb -0.16 -2.24 -0.03 0.00 -1.53 0.00 0.00 36.38 32.42 2bkd s VAL 107 CO 0.09 -0.09 0.31 -0.89 -3.33 0.00 0.00 175.10 171.19 2bkd s THR 108 N -4.07 4.80 0.23 5.04 2.01 -1.26 -0.44 115.64 121.95 2bkd s THR 108 Ca 0.28 -1.15 0.00 0.00 0.31 0.00 0.00 61.69 61.13 2bkd s THR 108 Cb 0.04 -3.63 0.32 0.00 0.01 0.00 0.00 72.50 69.23 2bkd s THR 108 CO 0.08 -0.32 1.16 0.00 -0.69 0.00 0.00 174.62 174.86 2bkd n ILE 109 N -1.35 -0.31 0.26 1.82 0.13 -1.26 -2.48 119.36 116.17 2bkd n ILE 109 Ca -0.08 1.65 0.13 0.00 -1.10 0.00 0.00 62.75 63.35 2bkd n ILE 109 Cb 0.58 -2.38 0.73 0.00 -0.84 0.00 0.00 39.64 37.72 2bkd n ILE 109 CO 0.00 0.00 0.00 -0.08 2.80 0.00 0.00 176.55 179.27 2bkd h GLU 110 N 0.00 0.00 0.00 9.51 4.81 -1.97 -0.83 114.58 126.10 2bkd h GLU 110 Ca 0.44 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.67 2bkd h GLU 110 Cb 0.87 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.25 2bkd h GLU 110 CO -0.71 0.11 0.00 0.00 -0.73 0.00 0.00 179.01 177.68 2bkd h ARG 111 N 0.00 0.00 -5.14 1.92 2.47 -1.86 -3.44 114.38 108.33 2bkd h ARG 111 Ca -0.00 0.00 -0.63 0.00 -1.26 0.00 0.00 59.98 58.09 2bkd h ARG 111 Cb 0.36 0.00 -0.19 0.00 -1.65 0.00 0.00 29.97 28.49 2bkd h ARG 111 CO 0.01 0.00 -0.59 -0.51 0.56 0.00 0.00 179.97 179.44 2bkd s LEU 112 N -5.49 3.65 0.00 3.04 1.43 -0.32 -3.06 118.68 117.92 2bkd s LEU 112 Ca 0.05 -0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.11 2bkd s LEU 112 Cb 0.09 -1.94 0.00 0.00 0.03 0.00 0.00 46.19 44.36 2bkd s LEU 112 CO 0.55 0.08 0.00 0.54 0.23 0.00 0.00 176.35 177.76 2bkd n ARG 113 N 4.13 0.34 -4.10 1.70 1.74 -0.14 -4.97 116.66 115.37 2bkd n ARG 113 Ca -0.16 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.76 2bkd n ARG 113 Cb 0.52 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.92 2bkd n ARG 113 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2bkd s SER 114 N 1.00 1.10 -0.05 0.55 0.15 -1.26 -0.60 113.70 114.59 2bkd s SER 114 Ca 0.00 -1.56 -0.02 0.00 0.70 0.00 0.00 55.95 55.07 2bkd s SER 114 Cb 0.00 0.69 -0.01 0.00 -1.71 0.00 0.00 66.02 64.98 2bkd s SER 114 CO 0.00 -1.34 0.13 0.58 1.20 0.00 0.00 173.24 173.82 2bkd h VAL 115 N 2.06 0.00 -1.34 4.45 2.07 -1.96 -3.45 116.25 118.09 2bkd h VAL 115 Ca -0.28 -0.51 0.15 0.00 0.82 0.00 0.00 66.70 66.88 2bkd h VAL 115 Cb 1.24 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.95 2bkd h VAL 115 CO 0.38 0.00 -0.32 0.59 0.02 0.00 0.00 177.57 178.24 2bkd n ASN 116 N -3.64 -3.49 -2.36 0.57 5.03 -1.26 -4.38 115.26 105.74 2bkd n ASN 116 Ca -0.01 0.36 -0.20 0.00 0.87 0.00 0.00 54.58 55.60 2bkd n ASN 116 Cb 0.03 -1.85 -0.13 0.00 -1.02 0.00 0.00 39.78 36.82 2bkd n ASN 116 CO 0.00 0.00 0.00 -0.81 -1.83 0.00 0.00 177.26 174.62 2bkd n PRO 117 N -2.96 2.47 -2.16 3.52 -0.04 -1.26 -4.91 135.00 129.66 2bkd n PRO 117 Ca -0.01 -1.43 -0.37 0.00 -0.04 0.00 0.00 63.50 61.65 2bkd n PRO 117 Cb 0.27 -2.20 0.00 0.00 -0.04 0.00 0.00 33.50 31.53 2bkd n PRO 117 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2bkd s ASN 118 N 1.87 5.96 0.00 3.54 2.20 -1.26 -4.90 114.94 122.34 2bkd s ASN 118 Ca 0.67 2.39 -0.00 0.00 -0.94 0.00 0.00 52.86 54.97 2bkd s ASN 118 Cb 0.29 -2.61 -0.04 0.00 -2.00 0.00 0.00 41.25 36.90 2bkd s ASN 118 CO -0.03 -1.07 0.08 -0.54 -2.94 0.00 0.00 177.10 172.60 2bkd s LYS 119 N -2.78 3.05 -0.09 3.55 1.02 -1.26 -4.98 119.74 118.26 2bkd s LYS 119 Ca 0.66 -0.50 0.02 0.00 0.02 0.00 0.00 55.97 56.16 2bkd s LYS 119 Cb -0.31 -2.85 0.17 0.00 -0.52 0.00 0.00 37.83 34.33 2bkd s LYS 119 CO 0.37 0.64 1.07 -0.35 -0.92 0.00 0.00 175.35 176.16 2bkd n PRO 120 N 1.10 1.52 -1.61 -1.68 -0.04 -1.26 -2.46 135.00 130.57 2bkd n PRO 120 Ca -0.12 -0.73 0.00 0.00 -0.04 0.00 0.00 63.50 62.61 2bkd n PRO 120 Cb 0.53 -1.42 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 2bkd n PRO 120 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2bkd n ALA 121 N 0.12 -2.29 -2.12 0.55 0.00 -1.26 -4.70 120.51 110.82 2bkd n ALA 121 Ca 0.12 0.36 -0.01 0.00 0.00 0.00 0.00 53.44 53.90 2bkd n ALA 121 Cb 0.68 -1.21 0.01 0.00 0.00 0.00 0.00 19.45 18.92 2bkd n ALA 121 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2bkd n THR 122 N 1.18 0.00 0.00 0.00 5.66 -1.26 -4.99 114.28 114.87 2bkd n THR 122 Ca 0.00 -0.11 0.00 0.00 -3.05 0.00 0.00 64.05 60.89 2bkd n THR 122 Cb 0.00 0.38 0.00 0.00 -1.55 0.00 0.00 70.33 69.16 2bkd n THR 122 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2bkd n LYS 123 N -0.18 0.00 0.28 1.09 5.02 -1.26 -4.61 118.16 118.49 2bkd n LYS 123 Ca -0.05 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.36 2bkd n LYS 123 Cb 0.47 -0.20 0.78 0.00 -0.02 0.00 0.00 35.03 36.05 2bkd n LYS 123 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2bkd h ASP 124 N 0.00 0.00 -0.70 4.39 5.19 -2.03 -3.07 116.42 120.20 2bkd h ASP 124 Ca 0.00 0.00 0.01 0.00 -0.62 0.00 0.00 57.03 56.42 2bkd h ASP 124 Cb 0.00 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.48 2bkd h ASP 124 CO 0.00 0.00 0.46 0.00 -3.12 0.00 0.00 179.24 176.58 2bkd h THR 125 N 0.00 1.18 -0.67 0.35 1.03 -1.95 -3.42 112.91 109.44 2bkd h THR 125 Ca -0.00 -0.34 -0.42 0.00 -0.01 0.00 0.00 66.41 65.64 2bkd h THR 125 Cb 0.01 0.16 -0.20 0.00 -1.07 0.00 0.00 68.15 67.05 2bkd h THR 125 CO 0.00 0.18 0.55 0.49 -0.01 0.00 0.00 175.52 176.72 2bkd n PHE 126 N -4.43 2.13 -3.40 0.00 3.01 -1.16 -5.03 117.46 108.58 2bkd n PHE 126 Ca 0.07 -2.09 -0.26 0.00 1.01 0.00 0.00 57.45 56.18 2bkd n PHE 126 Cb 0.04 -1.02 -0.09 0.00 -0.01 0.00 0.00 39.48 38.40 2bkd n PHE 126 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 2bkd n LYS 128 N -0.25 0.78 -3.04 -1.08 4.81 -1.26 -5.20 118.16 112.91 2bkd n LYS 128 Ca 0.41 -3.50 -0.39 0.00 -0.87 0.00 0.00 58.31 53.96 2bkd n LYS 128 Cb 0.80 -1.67 -0.06 0.00 0.02 0.00 0.00 35.03 34.13 2bkd n LYS 128 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2bkd s ILE 129 N -0.75 4.61 -0.65 3.15 1.01 -1.26 -4.99 121.20 122.32 2bkd s ILE 129 Ca 0.33 1.57 -0.24 0.00 0.00 0.00 0.00 60.65 62.30 2bkd s ILE 129 Cb 0.08 -4.08 0.05 0.00 0.01 0.00 0.00 42.46 38.52 2bkd s ILE 129 CO -0.15 0.45 1.04 -0.75 0.00 0.00 0.00 174.94 175.53 2bkd s LYS 130 N -0.61 3.20 0.35 2.79 2.20 -1.26 -4.77 119.74 121.64 2bkd s LYS 130 Ca 0.35 -0.51 0.00 0.00 -0.36 0.00 0.00 55.97 55.45 2bkd s LYS 130 Cb -0.21 -4.16 0.00 0.00 -1.51 0.00 0.00 37.83 31.94 2bkd s LYS 130 CO 0.23 -1.80 0.00 1.28 -0.36 0.00 0.00 175.35 174.70 2bkd n LEU 131 N 8.05 -5.83 0.00 5.43 4.32 -1.26 -5.10 117.00 122.61 2bkd n LEU 131 Ca -0.00 3.11 0.00 0.00 -0.02 0.00 0.00 56.01 59.10 2bkd n LEU 131 Cb 0.47 -3.10 0.00 0.00 -1.62 0.00 0.00 43.42 39.17 2bkd n LEU 131 CO 0.66 -0.62 0.00 -0.90 -1.22 0.00 0.00 177.39 175.31 2bkd n ASP 132 N 0.59 0.00 -4.72 -1.43 5.68 -1.26 -5.04 116.55 110.37 2bkd n ASP 132 Ca 0.00 0.00 -0.39 0.00 -0.50 0.00 0.00 54.79 53.90 2bkd n ASP 132 Cb 0.00 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 39.93 2bkd n ASP 132 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2bkd s VAL 133 N 0.85 5.12 -2.00 2.12 0.11 -1.26 -5.29 120.40 120.05 2bkd s VAL 133 Ca 0.00 1.17 0.29 0.00 -2.93 0.00 0.00 61.98 60.50 2bkd s VAL 133 Cb 0.00 -3.92 0.81 0.00 -1.53 0.00 0.00 36.38 31.75 2bkd s VAL 133 CO 0.00 0.28 2.04 -0.81 -3.33 0.00 0.00 175.10 173.28