#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 1.72 -2.48 0.03 2.13 -1.26 -4.94 120.64 115.85 2bkd n GLU 2 Ca 0.00 0.00 -0.39 0.00 0.66 0.00 0.00 57.16 57.43 2bkd n GLU 2 Cb 0.00 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 31.69 2bkd n GLU 2 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 2bkd s GLU 3 N 0.90 3.55 -0.12 5.31 2.56 -1.26 -4.96 118.70 124.68 2bkd s GLU 3 Ca 0.00 -1.36 -0.05 0.00 0.00 0.00 0.00 54.97 53.56 2bkd s GLU 3 Cb 0.00 -5.39 -0.04 0.00 2.00 0.00 0.00 34.13 30.71 2bkd s GLU 3 CO 0.00 -2.48 0.07 -0.51 -0.56 0.00 0.00 175.26 171.78 2bkd s LEU 4 N 5.68 3.96 -0.12 2.70 2.01 -1.26 -5.04 118.68 126.61 2bkd s LEU 4 Ca 0.53 0.27 -0.03 0.00 0.01 0.00 0.00 54.13 54.91 2bkd s LEU 4 Cb 0.01 -1.95 -0.03 0.00 0.01 0.00 0.00 46.19 44.23 2bkd s LEU 4 CO -0.01 0.36 -0.01 -0.69 1.01 0.00 0.00 176.35 177.01 2bkd s VAL 5 N -0.74 4.19 0.41 -1.59 1.01 -1.26 -1.27 120.40 121.15 2bkd s VAL 5 Ca 0.12 -0.27 0.07 0.00 0.00 0.00 0.00 61.98 61.90 2bkd s VAL 5 Cb -0.12 -2.80 -0.06 0.00 0.00 0.00 0.00 36.38 33.40 2bkd s VAL 5 CO 0.03 0.55 0.11 0.68 0.00 0.00 0.00 175.10 176.47 2bkd s VAL 6 N -0.33 2.24 -0.02 2.92 -7.23 -0.04 -4.59 120.40 113.35 2bkd s VAL 6 Ca 0.06 -1.81 -0.06 0.00 -1.81 0.00 0.00 61.98 58.36 2bkd s VAL 6 Cb -0.12 -2.98 -0.04 0.00 0.56 0.00 0.00 36.38 33.79 2bkd s VAL 6 CO 0.02 -0.02 0.23 -1.61 -0.31 0.00 0.00 175.10 173.42 2bkd s GLU 7 N -3.83 3.54 0.06 4.82 2.02 -0.02 -0.80 118.70 124.49 2bkd s GLU 7 Ca 0.39 -0.12 0.01 0.00 0.02 0.00 0.00 54.97 55.27 2bkd s GLU 7 Cb 0.05 -3.11 -0.03 0.00 0.10 0.00 0.00 34.13 31.15 2bkd s GLU 7 CO 0.21 0.68 -0.06 0.54 0.02 0.00 0.00 175.26 176.65 2bkd s VAL 8 N -1.25 0.45 -0.27 2.63 0.11 -0.52 -0.93 120.40 120.61 2bkd s VAL 8 Ca 0.25 -1.47 0.09 0.00 -2.93 0.00 0.00 61.98 57.92 2bkd s VAL 8 Cb -0.13 -1.08 0.46 0.00 -1.53 0.00 0.00 36.38 34.10 2bkd s VAL 8 CO 0.15 -0.68 1.19 -2.11 -3.33 0.00 0.00 175.10 170.31 2bkd n ARG 9 N 0.73 3.15 -1.59 1.54 0.00 -1.23 -1.49 116.66 117.77 2bkd n ARG 9 Ca -0.18 -3.97 -0.34 0.00 -0.00 0.00 0.00 57.85 53.36 2bkd n ARG 9 Cb 0.58 -2.11 -0.04 0.00 -0.00 0.00 0.00 32.46 30.89 2bkd n ARG 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2bkd n GLY 10 N -0.73 4.52 1.84 2.89 0.00 -1.26 -4.84 105.19 107.61 2bkd n GLY 10 Ca 0.37 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.62 2bkd n GLY 10 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2bkd n SER 11 N 2.14 0.00 0.00 1.61 2.88 -1.26 -5.01 113.62 113.98 2bkd n SER 11 Ca 0.62 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.16 2bkd n SER 11 Cb 0.39 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.85 2bkd n SER 11 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2bkd n ASN 12 N 0.46 0.00 0.00 -3.46 4.05 -1.26 -3.78 115.26 111.27 2bkd n ASN 12 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 2bkd n ASN 12 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 2bkd n ASN 12 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2bkd n GLY 13 N 0.00 1.00 3.66 8.20 0.00 -1.26 -5.06 105.19 111.72 2bkd n GLY 13 Ca 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.98 -1.86 -2.70 4.61 0.00 -1.25 -5.13 120.51 112.21 2bkd n ALA 14 Ca 0.00 -1.19 -0.39 0.00 0.00 0.00 0.00 53.44 51.86 2bkd n ALA 14 Cb 0.00 0.92 -0.06 0.00 0.00 0.00 0.00 19.45 20.30 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 -2.35 3.46 -0.03 0.00 0.08 -1.26 -4.50 117.98 113.39 2bkd s PHE 15 Ca 0.16 0.89 0.05 0.00 0.12 0.00 0.00 56.93 58.16 2bkd s PHE 15 Cb -0.04 -2.64 -0.01 0.00 -0.57 0.00 0.00 43.02 39.76 2bkd s PHE 15 CO 0.11 0.05 -0.19 1.52 -0.10 0.00 0.00 175.22 176.60 2bkd s TYR 16 N 1.07 1.79 0.24 0.36 1.13 -0.56 -4.95 117.35 116.44 2bkd s TYR 16 Ca 0.27 -0.43 -0.30 0.00 -1.41 0.00 0.00 57.07 55.20 2bkd s TYR 16 Cb -0.16 -1.17 -0.09 0.00 -1.10 0.00 0.00 41.96 39.44 2bkd s TYR 16 CO 0.11 -0.10 1.01 0.15 -2.51 0.00 0.00 175.55 174.21 2bkd s LYS 17 N -0.24 4.75 0.01 -3.49 1.02 -1.26 -1.44 119.74 119.09 2bkd s LYS 17 Ca 0.02 1.62 0.03 0.00 0.02 0.00 0.00 55.97 57.66 2bkd s LYS 17 Cb -0.10 -3.25 -0.01 0.00 -0.52 0.00 0.00 37.83 33.95 2bkd s LYS 17 CO 0.01 0.36 -0.10 0.00 -0.92 0.00 0.00 175.35 174.69 2bkd s ALA 18 N -1.03 0.83 -0.11 5.17 0.00 0.02 -4.57 121.76 122.07 2bkd s ALA 18 Ca 0.43 -0.55 0.01 0.00 0.00 0.00 0.00 51.96 51.86 2bkd s ALA 18 Cb -0.28 -0.16 -0.01 0.00 0.00 0.00 0.00 23.12 22.67 2bkd s ALA 18 CO 0.35 0.16 -0.15 -0.06 0.00 0.00 0.00 175.76 176.07 2bkd s PHE 19 N -0.53 2.76 0.19 0.00 0.08 -0.06 -0.87 117.98 119.56 2bkd s PHE 19 Ca 0.01 -0.63 -0.30 0.00 0.12 0.00 0.00 56.93 56.13 2bkd s PHE 19 Cb -0.05 -1.79 -0.08 0.00 -0.57 0.00 0.00 43.02 40.52 2bkd s PHE 19 CO 0.00 -0.19 1.04 0.54 -0.10 0.00 0.00 175.22 176.51 2bkd s VAL 20 N 0.20 4.01 -0.23 -0.44 0.11 -0.40 -0.52 120.40 123.13 2bkd s VAL 20 Ca -0.09 1.80 -0.07 0.00 -2.93 0.00 0.00 61.98 60.69 2bkd s VAL 20 Cb -0.15 -4.15 -0.11 0.00 -1.53 0.00 0.00 36.38 30.43 2bkd s VAL 20 CO 0.05 0.34 -0.26 1.17 -3.33 0.00 0.00 175.10 173.07 2bkd n LYS 21 N 2.17 0.51 -3.54 1.54 4.81 0.80 -4.71 118.16 119.74 2bkd n LYS 21 Ca 0.01 0.18 -0.11 0.00 -0.87 0.00 0.00 58.31 57.53 2bkd n LYS 21 Cb 0.47 -1.36 -0.02 0.00 0.02 0.00 0.00 35.03 34.13 2bkd n LYS 21 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2bkd s ASP 22 N -6.75 -0.46 0.31 3.14 2.15 -0.75 -5.00 116.67 109.31 2bkd s ASP 22 Ca -0.31 -0.17 0.00 0.00 0.43 0.00 0.00 52.55 52.49 2bkd s ASP 22 Cb 0.11 0.61 0.00 0.00 -0.30 0.00 0.00 42.92 43.34 2bkd s ASP 22 CO 0.44 -1.03 0.03 0.52 -0.17 0.00 0.00 175.17 174.95 2bkd n VAL 23 N -0.38 0.00 -0.11 1.11 0.31 -1.26 -0.78 118.33 117.22 2bkd n VAL 23 Ca -0.14 -1.46 -0.22 0.00 -0.01 0.00 0.00 64.34 62.52 2bkd n VAL 23 Cb 0.64 0.24 -0.07 0.00 -0.91 0.00 0.00 33.84 33.74 2bkd n VAL 23 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2bkd n GLU 25 N -0.83 0.52 -0.04 5.55 2.13 -1.26 -4.98 120.64 121.73 2bkd n GLU 25 Ca -0.12 0.22 -0.10 0.00 0.66 0.00 0.00 57.16 57.82 2bkd n GLU 25 Cb 0.39 -1.39 -0.14 0.00 0.27 0.00 0.00 31.44 30.57 2bkd n GLU 25 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2bkd n ASP 26 N -4.22 0.78 -4.47 4.31 8.00 -1.26 -4.97 116.55 114.74 2bkd n ASP 26 Ca -0.39 0.28 -0.22 0.00 0.71 0.00 0.00 54.79 55.17 2bkd n ASP 26 Cb 0.74 0.13 -0.11 0.00 -0.02 0.00 0.00 41.12 41.86 2bkd n ASP 26 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2bkd s SER 27 N -6.03 2.63 -0.06 -2.24 0.01 -1.26 -4.65 113.70 102.10 2bkd s SER 27 Ca -0.08 -1.34 0.04 0.00 1.31 0.00 0.00 55.95 55.88 2bkd s SER 27 Cb 0.07 -0.14 -0.02 0.00 0.21 0.00 0.00 66.02 66.14 2bkd s SER 27 CO 0.82 -0.54 -0.17 -0.51 0.41 0.00 0.00 173.24 173.25 2bkd s ILE 28 N -3.17 2.78 -0.13 1.44 2.07 -0.01 -4.64 121.20 119.54 2bkd s ILE 28 Ca 0.35 -0.81 0.00 0.00 -1.41 0.00 0.00 60.65 58.78 2bkd s ILE 28 Cb 0.08 -2.08 -0.01 0.00 0.13 0.00 0.00 42.46 40.58 2bkd s ILE 28 CO 0.15 0.57 -0.14 -0.89 -1.91 0.00 0.00 174.94 172.72 2bkd s THR 29 N -0.39 2.92 0.21 4.00 2.01 0.04 -1.29 115.64 123.14 2bkd s THR 29 Ca 0.04 -0.70 -0.04 0.00 0.31 0.00 0.00 61.69 61.29 2bkd s THR 29 Cb -0.12 -2.22 -0.03 0.00 0.01 0.00 0.00 72.50 70.14 2bkd s THR 29 CO 0.02 0.52 0.22 0.68 -0.69 0.00 0.00 174.62 175.37 2bkd s VAL 30 N 0.45 0.01 -0.09 3.82 -7.23 -0.42 -0.14 120.40 116.79 2bkd s VAL 30 Ca -0.10 -1.83 -0.12 0.00 -1.81 0.00 0.00 61.98 58.12 2bkd s VAL 30 Cb -0.16 -2.39 0.03 0.00 0.56 0.00 0.00 36.38 34.42 2bkd s VAL 30 CO 0.05 -0.03 0.32 0.00 -0.31 0.00 0.00 175.10 175.13 2bkd s ALA 31 N -4.11 -0.79 0.28 1.32 0.00 0.32 -2.68 121.76 116.09 2bkd s ALA 31 Ca 0.34 0.75 -0.11 0.00 0.00 0.00 0.00 51.96 52.94 2bkd s ALA 31 Cb 0.05 -0.37 -0.07 0.00 0.00 0.00 0.00 23.12 22.73 2bkd s ALA 31 CO 0.10 -0.18 0.63 -0.06 0.00 0.00 0.00 175.76 176.25 2bkd s PHE 32 N -0.25 3.42 -0.56 0.00 0.08 -1.26 -0.88 117.98 118.53 2bkd s PHE 32 Ca -0.04 0.96 -0.27 0.00 0.12 0.00 0.00 56.93 57.70 2bkd s PHE 32 Cb -0.03 -2.34 -0.15 0.00 -0.57 0.00 0.00 43.02 39.93 2bkd s PHE 32 CO 0.01 0.17 1.79 0.39 -0.10 0.00 0.00 175.22 177.48 2bkd n GLU 33 N -0.42 0.00 -1.72 0.44 1.02 -1.26 -4.42 120.64 114.27 2bkd n GLU 33 Ca 0.01 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.72 2bkd n GLU 33 Cb 0.53 -1.10 -0.03 0.00 -0.02 0.00 0.00 31.44 30.82 2bkd n GLU 33 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2bkd s ASN 34 N 5.57 5.55 0.11 1.62 4.22 -1.26 -4.19 114.94 126.56 2bkd s ASN 34 Ca 0.94 1.69 0.00 0.00 -2.14 0.00 0.00 52.86 53.36 2bkd s ASN 34 Cb -1.01 -2.51 0.00 0.00 1.28 0.00 0.00 41.25 39.00 2bkd s ASN 34 CO 0.42 -1.92 0.00 -3.20 -2.04 0.00 0.00 177.10 170.36 2bkd n ASN 35 N 11.42 -1.00 -0.11 3.54 2.85 -1.26 -5.03 115.26 125.67 2bkd n ASN 35 Ca 0.28 0.44 -0.24 0.00 -0.11 0.00 0.00 54.58 54.95 2bkd n ASN 35 Cb 0.46 1.20 -0.11 0.00 1.24 0.00 0.00 39.78 42.57 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 -2.84 0.44 -3.79 1.20 4.27 -1.26 -4.99 117.44 110.48 2bkd n TRP 36 Ca 0.00 0.14 -0.35 0.00 -3.89 0.00 0.00 57.50 53.41 2bkd n TRP 36 Cb 0.00 -1.05 -0.08 0.00 -1.36 0.00 0.00 31.31 28.82 2bkd n TRP 36 CO 0.00 0.00 0.00 -1.14 -2.29 0.00 0.00 177.69 174.26 2bkd s GLN 37 N -2.49 4.14 0.49 -2.67 -0.44 -1.26 -5.09 119.66 112.34 2bkd s GLN 37 Ca -0.33 -0.24 -0.19 0.00 -2.50 0.00 0.00 55.36 52.09 2bkd s GLN 37 Cb 0.10 -3.38 -0.08 0.00 -1.64 0.00 0.00 33.01 28.01 2bkd s GLN 37 CO 0.59 0.30 1.00 -1.25 0.50 0.00 0.00 175.29 176.43 2bkd s PRO 38 N 0.35 3.89 -0.21 1.67 0.04 -1.26 -4.75 135.00 134.73 2bkd s PRO 38 Ca 0.07 1.19 -0.32 0.00 0.04 0.00 0.00 61.00 61.98 2bkd s PRO 38 Cb -0.11 -2.12 -0.09 0.00 0.04 0.00 0.00 34.50 32.22 2bkd s PRO 38 CO -0.02 -0.33 2.12 -0.40 0.04 0.00 0.00 177.00 178.42 2bkd n ASP 39 N -1.13 3.05 -4.47 6.66 5.75 -1.26 -4.94 116.55 120.22 2bkd n ASP 39 Ca 0.08 0.48 -0.24 0.00 -0.01 0.00 0.00 54.79 55.10 2bkd n ASP 39 Cb 0.53 -1.43 -0.10 0.00 -1.03 0.00 0.00 41.12 39.09 2bkd n ASP 39 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 2bkd s ARG 40 N 5.69 1.66 -0.11 0.11 3.52 -1.09 -4.97 118.95 123.77 2bkd s ARG 40 Ca 1.01 -1.79 0.03 0.00 -0.13 0.00 0.00 55.73 54.85 2bkd s ARG 40 Cb -0.57 -1.63 0.01 0.00 -1.56 0.00 0.00 34.95 31.20 2bkd s ARG 40 CO 0.43 0.24 -0.19 -0.65 -0.81 0.00 0.00 175.30 174.32 2bkd s GLN 41 N -3.57 2.62 0.05 5.12 -0.21 -1.26 -1.30 119.66 121.12 2bkd s GLN 41 Ca 0.30 -0.72 0.09 0.00 0.02 0.00 0.00 55.36 55.04 2bkd s GLN 41 Cb -0.02 -2.09 -0.03 0.00 1.00 0.00 0.00 33.01 31.87 2bkd s GLN 41 CO 0.14 0.04 -0.24 0.96 -2.12 0.00 0.00 175.29 174.08 2bkd s ILE 42 N 0.68 1.93 0.91 1.08 -4.36 -0.41 -4.96 121.20 116.07 2bkd s ILE 42 Ca -0.12 -1.35 -0.12 0.00 -0.26 0.00 0.00 60.65 58.80 2bkd s ILE 42 Cb -0.16 -1.67 0.14 0.00 1.25 0.00 0.00 42.46 42.02 2bkd s ILE 42 CO 0.03 0.25 1.11 -2.16 0.24 0.00 0.00 174.94 174.40 2bkd s PRO 43 N -1.32 1.13 0.00 0.37 0.04 -1.26 -0.83 135.00 133.13 2bkd s PRO 43 Ca 0.10 0.55 -0.01 0.00 0.04 0.00 0.00 61.00 61.68 2bkd s PRO 43 Cb -0.09 -1.82 -0.03 0.00 0.04 0.00 0.00 34.50 32.60 2bkd s PRO 43 CO 0.02 -2.26 0.97 1.19 0.04 0.00 0.00 177.00 176.96 2bkd n PHE 44 N -3.86 0.00 0.00 0.56 3.72 -1.26 -3.59 117.46 113.03 2bkd n PHE 44 Ca 0.06 -0.41 0.00 0.00 -0.05 0.00 0.00 57.45 57.05 2bkd n PHE 44 Cb 0.57 -0.47 0.00 0.00 -0.94 0.00 0.00 39.48 38.64 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 2.09 0.00 -4.85 4.37 8.00 -1.26 -3.44 116.55 121.45 2bkd n ASP 46 Ca 0.04 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.17 2bkd n ASP 46 Cb 0.22 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.26 2bkd n ASP 46 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2bkd s VAL 47 N 0.00 5.25 0.00 2.53 1.01 -1.24 -3.55 120.40 124.40 2bkd s VAL 47 Ca 0.00 0.56 0.03 0.00 0.00 0.00 0.00 61.98 62.56 2bkd s VAL 47 Cb 0.00 -3.57 -0.01 0.00 0.00 0.00 0.00 36.38 32.80 2bkd s VAL 47 CO 0.00 0.59 -0.09 -0.60 0.00 0.00 0.00 175.10 175.00 2bkd s ARG 48 N -1.01 0.67 -0.25 2.72 3.52 -0.11 -1.26 118.95 123.23 2bkd s ARG 48 Ca 0.20 -0.40 -0.18 0.00 -0.13 0.00 0.00 55.73 55.22 2bkd s ARG 48 Cb -0.15 -0.62 -0.03 0.00 -1.56 0.00 0.00 34.95 32.59 2bkd s ARG 48 CO 0.09 0.16 0.50 -0.06 -0.81 0.00 0.00 175.30 175.19 2bkd s PHE 49 N -0.40 3.29 0.63 5.12 0.40 -0.81 -0.84 117.98 125.37 2bkd s PHE 49 Ca 0.01 0.65 -0.15 0.00 -0.60 0.00 0.00 56.93 56.84 2bkd s PHE 49 Cb -0.04 -2.69 -0.02 0.00 0.51 0.00 0.00 43.02 40.78 2bkd s PHE 49 CO -0.00 -0.23 1.09 -1.25 0.70 0.00 0.00 175.22 175.54 2bkd s PRO 50 N 2.11 3.00 0.86 0.24 0.04 -1.26 -4.49 135.00 135.49 2bkd s PRO 50 Ca 0.21 1.35 -0.12 0.00 0.04 0.00 0.00 61.00 62.48 2bkd s PRO 50 Cb -0.16 -1.98 0.11 0.00 0.04 0.00 0.00 34.50 32.51 2bkd s PRO 50 CO 0.09 -1.09 1.11 -1.25 0.04 0.00 0.00 177.00 175.91 2bkd s PRO 51 N -4.04 1.58 0.00 0.56 0.04 -1.26 -5.04 135.00 126.85 2bkd s PRO 51 Ca 0.66 0.50 0.00 0.00 0.04 0.00 0.00 61.00 62.20 2bkd s PRO 51 Cb -0.19 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.47 2bkd s PRO 51 CO 0.39 -1.94 0.00 -0.35 0.04 0.00 0.00 177.00 175.14 2bkd n PRO 52 N -3.63 3.71 0.00 0.56 -0.04 -1.26 -5.10 135.00 129.24 2bkd n PRO 52 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 2bkd n PRO 52 Cb 0.57 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.03 2bkd n PRO 52 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2bkd n VAL 53 N 0.00 0.00 -2.44 0.52 0.24 -1.26 -5.04 118.33 110.35 2bkd n VAL 53 Ca 0.00 0.00 -0.38 0.00 -2.04 0.00 0.00 64.34 61.92 2bkd n VAL 53 Cb 0.00 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.34 2bkd n VAL 53 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2bkd s GLY 54 N 0.00 2.85 0.60 7.63 0.00 -1.26 -5.05 107.32 112.10 2bkd s GLY 54 Ca 0.00 0.83 -0.08 0.00 0.00 0.00 0.00 44.72 45.47 2bkd s GLY 54 CO 0.00 1.33 0.95 -0.19 0.00 0.00 0.00 173.10 175.19 2bkd s TYR 55 N -1.47 3.39 -0.11 1.90 2.02 -1.26 -5.05 117.35 116.78 2bkd s TYR 55 Ca 0.55 0.89 -0.02 0.00 -0.37 0.00 0.00 57.07 58.11 2bkd s TYR 55 Cb -0.27 -2.73 -0.01 0.00 -0.40 0.00 0.00 41.96 38.55 2bkd s TYR 55 CO 0.34 -0.79 -0.04 -0.97 -1.57 0.00 0.00 175.55 172.52 2bkd h ASN 56 N -0.24 0.00 -3.84 2.29 -0.73 -2.05 -3.46 115.58 107.55 2bkd h ASN 56 Ca -0.45 0.00 -0.50 0.00 1.87 0.00 0.00 56.30 57.22 2bkd h ASN 56 Cb 1.23 0.00 0.02 0.00 0.27 0.00 0.00 38.32 39.84 2bkd h ASN 56 CO 0.62 0.56 0.47 -1.59 -0.37 0.00 0.00 177.43 177.12 2bkd s LYS 57 N -1.72 4.53 0.46 6.67 0.00 -1.26 -5.04 119.74 123.39 2bkd s LYS 57 Ca -0.04 1.77 0.00 0.00 0.00 0.00 0.00 55.97 57.71 2bkd s LYS 57 Cb 0.01 -3.06 -0.00 0.00 0.00 0.00 0.00 37.83 34.77 2bkd s LYS 57 CO 0.05 0.12 0.69 0.34 0.00 0.00 0.00 175.35 176.56 2bkd s ASP 58 N -0.99 5.78 0.20 0.03 2.15 -1.26 -5.09 116.67 117.50 2bkd s ASP 58 Ca 0.47 0.28 0.00 0.00 0.43 0.00 0.00 52.55 53.74 2bkd s ASP 58 Cb -0.31 -1.49 0.00 0.00 -0.30 0.00 0.00 42.92 40.82 2bkd s ASP 58 CO 0.39 -0.75 0.00 0.00 -0.17 0.00 0.00 175.17 174.64 2bkd n ILE 59 N -2.12 0.00 -4.21 4.11 3.06 -1.26 -5.12 119.36 113.82 2bkd n ILE 59 Ca 0.02 0.00 -0.29 0.00 -2.50 0.00 0.00 62.75 59.98 2bkd n ILE 59 Cb 0.58 -1.32 -0.09 0.00 0.54 0.00 0.00 39.64 39.35 2bkd n ILE 59 CO 0.00 0.00 0.00 0.20 -2.50 0.00 0.00 176.55 174.25 2bkd s ASN 60 N -1.00 4.58 -0.02 9.51 0.02 -1.26 -5.04 114.94 121.73 2bkd s ASN 60 Ca 0.00 -0.37 0.02 0.00 -1.02 0.00 0.00 52.86 51.50 2bkd s ASN 60 Cb 0.00 -0.93 0.11 0.00 0.02 0.00 0.00 41.25 40.45 2bkd s ASN 60 CO 0.00 0.15 0.78 -1.84 0.02 0.00 0.00 177.10 176.22 2bkd n GLU 61 N 0.44 1.46 -0.08 -0.60 0.28 -1.26 -4.26 120.64 116.62 2bkd n GLU 61 Ca -0.12 -0.42 -0.11 0.00 -0.16 0.00 0.00 57.16 56.35 2bkd n GLU 61 Cb 0.53 -1.46 -0.08 0.00 1.43 0.00 0.00 31.44 31.86 2bkd n GLU 61 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2bkd n SER 62 N 0.01 2.68 0.00 -1.84 7.64 -1.26 -4.43 113.62 116.42 2bkd n SER 62 Ca 0.04 -0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.83 2bkd n SER 62 Cb 0.30 -0.21 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 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 -2.95 0.00 -4.93 6.43 2.03 -1.26 -4.75 116.55 111.11 2bkd n ASP 63 Ca -0.29 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 54.81 2bkd n ASP 63 Cb 0.81 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 41.19 2bkd n ASP 63 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2bkd s GLU 64 N 3.64 3.31 0.19 -0.67 2.02 -1.26 -2.09 118.70 123.83 2bkd s GLU 64 Ca 0.00 -0.82 -0.04 0.00 0.02 0.00 0.00 54.97 54.13 2bkd s GLU 64 Cb 0.00 -2.81 -0.03 0.00 0.10 0.00 0.00 34.13 31.39 2bkd s GLU 64 CO 0.00 0.43 0.19 0.14 0.02 0.00 0.00 175.26 176.04 2bkd s VAL 65 N -1.99 0.03 -0.15 2.63 -7.23 0.55 -4.92 120.40 109.31 2bkd s VAL 65 Ca 0.34 -1.80 -0.01 0.00 -1.81 0.00 0.00 61.98 58.69 2bkd s VAL 65 Cb -0.09 -2.27 -0.01 0.00 0.56 0.00 0.00 36.38 34.57 2bkd s VAL 65 CO 0.28 -0.14 -0.10 -1.61 -0.31 0.00 0.00 175.10 173.22 2bkd s GLU 66 N -4.09 3.42 -0.17 4.82 0.41 -0.72 -1.55 118.70 120.81 2bkd s GLU 66 Ca 0.30 -0.65 -0.02 0.00 -0.41 0.00 0.00 54.97 54.19 2bkd s GLU 66 Cb 0.05 -2.75 -0.01 0.00 -1.78 0.00 0.00 34.13 29.64 2bkd s GLU 66 CO 0.08 0.13 -0.09 0.08 -0.49 0.00 0.00 175.26 174.96 2bkd s VAL 67 N 0.60 3.17 0.19 2.63 1.01 -0.48 -1.23 120.40 126.30 2bkd s VAL 67 Ca -0.06 -0.59 -0.30 0.00 0.00 0.00 0.00 61.98 61.03 2bkd s VAL 67 Cb -0.15 -2.39 -0.08 0.00 0.00 0.00 0.00 36.38 33.76 2bkd s VAL 67 CO 0.03 0.48 1.08 -0.31 0.00 0.00 0.00 175.10 176.38 2bkd s TYR 68 N 0.87 3.64 0.17 5.22 2.02 -0.44 -1.53 117.35 127.31 2bkd s TYR 68 Ca -0.02 1.65 0.04 0.00 -0.37 0.00 0.00 57.07 58.37 2bkd s TYR 68 Cb -0.15 -3.24 -0.05 0.00 -0.40 0.00 0.00 41.96 38.13 2bkd s TYR 68 CO 0.00 -0.46 -0.07 0.45 -1.57 0.00 0.00 175.55 173.90 2bkd s SER 69 N -0.30 1.80 0.38 2.29 0.15 -1.23 -4.66 113.70 112.13 2bkd s SER 69 Ca 0.48 -1.08 -0.26 0.00 0.70 0.00 0.00 55.95 55.79 2bkd s SER 69 Cb -0.29 -0.00 -0.09 0.00 -1.71 0.00 0.00 66.02 63.93 2bkd s SER 69 CO 0.35 -0.39 1.23 0.00 1.20 0.00 0.00 173.24 175.64 2bkd s ARG 70 N -3.78 4.11 0.00 5.44 1.70 -1.26 -4.93 118.95 120.22 2bkd s ARG 70 Ca 0.20 2.01 0.00 0.00 -0.47 0.00 0.00 55.73 57.47 2bkd s ARG 70 Cb 0.03 -2.80 0.00 0.00 -0.57 0.00 0.00 34.95 31.61 2bkd s ARG 70 CO 0.03 -0.32 0.00 0.00 -1.08 0.00 0.00 175.30 173.93 2bkd n ALA 71 N 0.28 0.00 -3.03 7.88 0.00 -1.26 -2.31 120.51 122.07 2bkd n ALA 71 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.14 2bkd n ALA 71 Cb 0.45 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.76 2bkd n ALA 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2bkd s ASN 72 N 0.00 4.19 0.00 0.00 6.03 -1.26 -5.04 114.94 118.86 2bkd s ASN 72 Ca 0.00 -0.28 0.00 0.00 -1.03 0.00 0.00 52.86 51.55 2bkd s ASN 72 Cb 0.00 -1.62 0.00 0.00 -3.03 0.00 0.00 41.25 36.60 2bkd s ASN 72 CO 0.00 0.17 0.00 -1.84 -2.03 0.00 0.00 177.10 173.40 2bkd n GLU 73 N 3.47 0.00 0.00 3.55 0.28 -0.98 -4.81 120.64 122.15 2bkd n GLU 73 Ca -0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.82 2bkd n GLU 73 Cb 0.53 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.40 2bkd n GLU 73 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 2bkd n LYS 74 N -0.15 0.00 -3.36 3.44 4.81 -1.26 -4.66 118.16 116.98 2bkd n LYS 74 Ca 0.00 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.22 2bkd n LYS 74 Cb 0.00 0.00 0.02 0.00 0.02 0.00 0.00 35.03 35.07 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 0.00 0.71 -2.24 1.64 1.02 -1.26 -5.00 120.64 115.50 2bkd n GLU 75 Ca 0.00 -3.06 -0.33 0.00 -0.02 0.00 0.00 57.16 53.75 2bkd n GLU 75 Cb 0.00 0.14 -0.04 0.00 -0.02 0.00 0.00 31.44 31.52 2bkd n GLU 75 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2bkd s PRO 76 N -4.19 3.00 0.25 3.49 0.04 -1.26 -4.88 135.00 131.44 2bkd s PRO 76 Ca 0.38 -1.45 0.01 0.00 0.04 0.00 0.00 61.00 59.98 2bkd s PRO 76 Cb -0.03 -5.35 -0.05 0.00 0.04 0.00 0.00 34.50 29.11 2bkd s PRO 76 CO 0.24 -3.41 0.09 0.00 0.04 0.00 0.00 177.00 173.97 2bkd n TRP 79 N 3.16 3.36 -3.11 0.00 -0.00 -1.25 -3.58 117.44 116.01 2bkd n TRP 79 Ca -0.15 -3.14 0.00 0.00 -0.00 0.00 0.00 57.50 54.21 2bkd n TRP 79 Cb 0.57 -0.81 0.00 0.00 -0.00 0.00 0.00 31.31 31.07 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 -0.23 -0.88 -3.23 5.87 8.01 -0.58 -4.85 117.44 121.55 2bkd n TRP 80 Ca 0.41 0.00 -0.39 0.00 -1.31 0.00 0.00 57.50 56.21 2bkd n TRP 80 Cb 0.35 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.59 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 4.44 0.07 -0.99 0.05 -1.26 -1.38 118.68 119.60 2bkd s LEU 81 Ca 0.00 1.17 0.01 0.00 0.05 0.00 0.00 54.13 55.36 2bkd s LEU 81 Cb 0.00 -2.90 -0.04 0.00 -2.05 0.00 0.00 46.19 41.21 2bkd s LEU 81 CO 0.00 0.15 -0.06 0.00 -0.55 0.00 0.00 176.35 175.89 2bkd s ALA 82 N -0.41 0.69 -0.09 1.48 0.00 -0.60 -3.61 121.76 119.23 2bkd s ALA 82 Ca 0.30 -1.11 0.01 0.00 0.00 0.00 0.00 51.96 51.16 2bkd s ALA 82 Cb -0.18 0.16 -0.02 0.00 0.00 0.00 0.00 23.12 23.07 2bkd s ALA 82 CO 0.17 -0.21 -0.11 0.15 0.00 0.00 0.00 175.76 175.76 2bkd s LYS 83 N -3.11 3.00 -0.15 0.00 3.01 -0.29 -0.33 119.74 121.85 2bkd s LYS 83 Ca 0.03 -0.63 -0.08 0.00 -1.01 0.00 0.00 55.97 54.28 2bkd s LYS 83 Cb 0.01 -2.58 -0.04 0.00 -1.01 0.00 0.00 37.83 34.21 2bkd s LYS 83 CO -0.04 0.46 0.12 0.08 0.51 0.00 0.00 175.35 176.47 2bkd s VAL 84 N -0.27 5.36 -0.22 3.17 1.01 -0.89 -0.51 120.40 128.06 2bkd s VAL 84 Ca 0.03 0.16 -0.13 0.00 0.00 0.00 0.00 61.98 62.03 2bkd s VAL 84 Cb -0.13 -3.38 -0.18 0.00 0.00 0.00 0.00 36.38 32.69 2bkd s VAL 84 CO 0.03 0.54 0.03 -1.14 0.00 0.00 0.00 175.10 174.56 2bkd n ARG 85 N 2.66 0.63 -3.73 2.72 0.00 -0.26 -4.62 116.66 114.06 2bkd n ARG 85 Ca -0.18 0.37 -0.12 0.00 -0.00 0.00 0.00 57.85 57.92 2bkd n ARG 85 Cb 0.54 -1.64 -0.07 0.00 0.00 0.00 0.00 32.46 31.29 2bkd n ARG 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2bkd s MET 86 N -2.47 0.84 -0.14 -0.14 0.23 -1.21 -4.91 119.30 111.50 2bkd s MET 86 Ca -0.31 -0.45 0.02 0.00 -1.03 0.00 0.00 55.69 53.92 2bkd s MET 86 Cb 0.09 0.37 0.01 0.00 -1.53 0.00 0.00 34.83 33.76 2bkd s MET 86 CO 0.60 -0.28 -0.20 0.42 -2.03 0.00 0.00 175.02 173.53 2bkd s ILE 87 N -2.49 2.22 -0.29 3.16 1.01 -1.26 -1.54 121.20 122.01 2bkd s ILE 87 Ca -0.05 -0.93 -0.00 0.00 0.00 0.00 0.00 60.65 59.67 2bkd s ILE 87 Cb -0.01 -1.90 0.09 0.00 0.01 0.00 0.00 42.46 40.65 2bkd s ILE 87 CO -0.03 0.54 0.06 -0.54 0.00 0.00 0.00 174.94 174.97 2bkd s LYS 88 N 0.76 0.94 0.00 2.79 1.02 -0.02 -5.02 119.74 120.21 2bkd s LYS 88 Ca -0.08 -1.08 0.00 0.00 0.02 0.00 0.00 55.97 54.83 2bkd s LYS 88 Cb -0.16 -2.25 0.00 0.00 -0.52 0.00 0.00 37.83 34.90 2bkd s LYS 88 CO -0.00 -0.88 0.00 0.41 -0.92 0.00 0.00 175.35 173.96 2bkd n GLY 89 N 4.77 0.00 3.44 -3.33 0.00 -1.26 -1.29 105.19 107.52 2bkd n GLY 89 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2bkd n GLY 89 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2bkd n GLU 90 N 0.75 0.00 -5.04 1.61 4.07 -1.26 -5.01 120.64 115.76 2bkd n GLU 90 Ca 0.00 0.00 -0.28 0.00 -0.06 0.00 0.00 57.16 56.82 2bkd n GLU 90 Cb 0.00 -1.29 -0.15 0.00 -0.06 0.00 0.00 31.44 29.94 2bkd n GLU 90 CO 0.00 0.00 0.00 0.12 -0.06 0.00 0.00 177.13 177.19 2bkd s PHE 91 N -2.12 1.98 -0.04 4.31 5.36 -0.41 -3.03 117.98 124.03 2bkd s PHE 91 Ca 0.00 -0.38 0.03 0.00 -0.96 0.00 0.00 56.93 55.62 2bkd s PHE 91 Cb 0.00 -1.26 0.01 0.00 -0.34 0.00 0.00 43.02 41.42 2bkd s PHE 91 CO 0.00 -0.01 -0.11 0.71 -1.46 0.00 0.00 175.22 174.34 2bkd s TYR 92 N -0.56 1.22 -0.28 10.12 1.51 -0.27 -0.84 117.35 128.24 2bkd s TYR 92 Ca 0.09 -0.36 -0.14 0.00 -1.01 0.00 0.00 57.07 55.65 2bkd s TYR 92 Cb -0.09 -0.87 -0.04 0.00 -0.11 0.00 0.00 41.96 40.85 2bkd s TYR 92 CO -0.00 -0.16 0.32 0.08 -1.11 0.00 0.00 175.55 174.67 2bkd s VAL 93 N 0.33 5.22 0.00 0.71 1.01 -0.59 -1.62 120.40 125.46 2bkd s VAL 93 Ca -0.07 0.41 0.08 0.00 0.00 0.00 0.00 61.98 62.40 2bkd s VAL 93 Cb -0.11 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.59 2bkd s VAL 93 CO 0.02 0.17 -0.24 -0.63 0.00 0.00 0.00 175.10 174.41 2bkd s ILE 94 N 1.97 2.23 -0.10 2.22 1.09 -0.01 -1.10 121.20 127.50 2bkd s ILE 94 Ca 0.12 -1.18 0.03 0.00 -1.10 0.00 0.00 60.65 58.52 2bkd s ILE 94 Cb -0.16 -1.83 -0.01 0.00 -1.06 0.00 0.00 42.46 39.40 2bkd s ILE 94 CO 0.10 0.49 -0.20 -1.61 -0.10 0.00 0.00 174.94 173.62 2bkd s GLU 95 N -0.91 3.02 0.02 2.79 2.02 0.33 -1.55 118.70 124.42 2bkd s GLU 95 Ca 0.11 -0.81 -0.02 0.00 0.02 0.00 0.00 54.97 54.27 2bkd s GLU 95 Cb -0.10 -2.38 -0.04 0.00 0.10 0.00 0.00 34.13 31.71 2bkd s GLU 95 CO 0.01 0.26 0.21 0.71 0.02 0.00 0.00 175.26 176.47 2bkd s TYR 96 N 0.17 3.54 -0.03 1.61 2.02 -1.26 -1.14 117.35 122.25 2bkd s TYR 96 Ca -0.11 0.35 -0.13 0.00 -0.37 0.00 0.00 57.07 56.81 2bkd s TYR 96 Cb -0.16 -1.83 -0.05 0.00 -0.40 0.00 0.00 41.96 39.52 2bkd s TYR 96 CO 0.06 0.61 0.36 0.00 -1.57 0.00 0.00 175.55 175.01 2bkd s ALA 97 N -1.40 3.72 -1.56 3.71 0.00 -1.24 -4.61 121.76 120.38 2bkd s ALA 97 Ca 0.31 -0.31 -0.01 0.00 0.00 0.00 0.00 51.96 51.95 2bkd s ALA 97 Cb -0.13 -2.32 0.00 0.00 0.00 0.00 0.00 23.12 20.68 2bkd s ALA 97 CO 0.22 0.48 0.15 0.00 0.00 0.00 0.00 175.76 176.60 2bkd n ALA 98 N 1.97 -0.64 -2.49 0.00 0.00 -1.26 -4.97 120.51 113.12 2bkd n ALA 98 Ca -0.15 0.18 -0.25 0.00 0.00 0.00 0.00 53.44 53.22 2bkd n ALA 98 Cb 0.53 -2.44 -0.10 0.00 0.00 0.00 0.00 19.45 17.43 2bkd n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bkd s ASP 100 N -3.17 7.49 -1.28 0.00 1.01 -1.26 -4.11 116.67 115.34 2bkd s ASP 100 Ca 0.26 1.87 -0.05 0.00 0.71 0.00 0.00 52.55 55.35 2bkd s ASP 100 Cb -0.07 -2.59 0.01 0.00 1.01 0.00 0.00 42.92 41.28 2bkd s ASP 100 CO 0.14 0.06 0.67 0.00 0.21 0.00 0.00 175.17 176.25 2bkd n ALA 101 N 1.07 -0.92 -2.60 5.23 0.00 -1.26 -4.97 120.51 117.07 2bkd n ALA 101 Ca -0.00 0.28 -0.43 0.00 0.00 0.00 0.00 53.44 53.29 2bkd n ALA 101 Cb 0.49 -3.83 -0.04 0.00 0.00 0.00 0.00 19.45 16.07 2bkd n ALA 101 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2bkd s THR 102 N -3.14 4.35 0.00 0.00 2.01 -1.26 -4.88 115.64 112.72 2bkd s THR 102 Ca 0.33 0.65 0.00 0.00 0.31 0.00 0.00 61.69 62.98 2bkd s THR 102 Cb -0.15 -4.53 0.00 0.00 0.01 0.00 0.00 72.50 67.84 2bkd s THR 102 CO 0.41 -1.02 0.00 -1.22 -0.69 0.00 0.00 174.62 172.10 2bkd n TYR 103 N 7.51 0.00 -3.15 4.92 4.01 -1.26 -5.04 117.16 124.15 2bkd n TYR 103 Ca 0.05 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.85 2bkd n TYR 103 Cb 0.48 -0.04 -0.01 0.00 -0.31 0.00 0.00 39.34 39.47 2bkd n TYR 103 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 2bkd s ASN 104 N -2.57 -0.67 -0.21 7.72 3.84 -1.26 -5.03 114.94 116.76 2bkd s ASN 104 Ca 0.00 0.25 -0.09 0.00 0.21 0.00 0.00 52.86 53.24 2bkd s ASN 104 Cb 0.00 1.50 -0.04 0.00 -0.55 0.00 0.00 41.25 42.15 2bkd s ASN 104 CO 0.00 -0.12 0.10 -0.70 -2.79 0.00 0.00 177.10 173.59 2bkd s GLU 105 N 2.93 3.98 -0.25 0.43 2.56 -0.60 -4.95 118.70 122.80 2bkd s GLU 105 Ca 0.12 -0.33 -0.17 0.00 0.00 0.00 0.00 54.97 54.60 2bkd s GLU 105 Cb -0.08 -3.35 -0.03 0.00 2.00 0.00 0.00 34.13 32.67 2bkd s GLU 105 CO -0.18 0.15 0.45 0.96 -0.56 0.00 0.00 175.26 176.08 2bkd s ILE 106 N 0.75 5.13 0.01 -3.70 -4.36 -1.26 -0.83 121.20 116.93 2bkd s ILE 106 Ca 0.05 0.75 -0.04 0.00 -0.26 0.00 0.00 60.65 61.15 2bkd s ILE 106 Cb -0.13 -3.77 -0.01 0.00 1.25 0.00 0.00 42.46 39.81 2bkd s ILE 106 CO 0.02 0.14 0.06 -0.69 0.24 0.00 0.00 174.94 174.71 2bkd s VAL 107 N 2.05 0.09 0.41 8.37 1.01 -0.64 -5.01 120.40 126.67 2bkd s VAL 107 Ca 0.19 -0.73 0.06 0.00 0.00 0.00 0.00 61.98 61.50 2bkd s VAL 107 Cb -0.16 -0.33 0.00 0.00 0.00 0.00 0.00 36.38 35.90 2bkd s VAL 107 CO 0.09 -0.40 0.57 0.28 0.00 0.00 0.00 175.10 175.64 2bkd s THR 108 N -1.30 3.42 -0.63 3.92 -1.32 -1.26 -1.12 115.64 117.35 2bkd s THR 108 Ca -0.14 -0.92 -0.26 0.00 -1.21 0.00 0.00 61.69 59.16 2bkd s THR 108 Cb -0.08 -3.18 -0.10 0.00 -1.51 0.00 0.00 72.50 67.63 2bkd s THR 108 CO 0.00 -0.08 2.41 -0.63 -2.21 0.00 0.00 174.62 174.11 2bkd s ILE 109 N -2.35 3.01 0.30 5.08 -1.09 -1.17 -4.41 121.20 120.58 2bkd s ILE 109 Ca 0.51 -0.00 0.00 0.00 -2.23 0.00 0.00 60.65 58.93 2bkd s ILE 109 Cb -0.10 -3.03 0.00 0.00 -1.58 0.00 0.00 42.46 37.76 2bkd s ILE 109 CO 0.33 -0.02 0.00 1.21 -1.23 0.00 0.00 174.94 175.23 2bkd n GLU 110 N 8.93 0.00 -0.20 2.79 2.13 -1.26 -4.93 120.64 128.10 2bkd n GLU 110 Ca 0.41 0.00 0.07 0.00 0.66 0.00 0.00 57.16 58.30 2bkd n GLU 110 Cb 0.50 0.00 0.17 0.00 0.27 0.00 0.00 31.44 32.38 2bkd n GLU 110 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2bkd n ARG 111 N -3.38 2.75 -3.75 5.31 5.12 -1.26 -4.99 116.66 116.46 2bkd n ARG 111 Ca 0.00 -2.10 -0.36 0.00 -1.93 0.00 0.00 57.85 53.46 2bkd n ARG 111 Cb 0.00 -1.31 -0.09 0.00 -1.16 0.00 0.00 32.46 29.90 2bkd n ARG 111 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2bkd s LEU 112 N -1.00 4.05 -0.07 0.55 1.43 -1.26 -1.32 118.68 121.05 2bkd s LEU 112 Ca 0.27 0.12 0.03 0.00 -1.03 0.00 0.00 54.13 53.52 2bkd s LEU 112 Cb 0.14 -2.07 0.00 0.00 0.03 0.00 0.00 46.19 44.30 2bkd s LEU 112 CO 0.18 0.11 -0.17 -0.60 0.23 0.00 0.00 176.35 176.10 2bkd s ARG 113 N 0.79 2.12 -0.93 1.70 3.52 -0.36 -5.00 118.95 120.78 2bkd s ARG 113 Ca 0.07 -0.61 0.00 0.00 -0.13 0.00 0.00 55.73 55.06 2bkd s ARG 113 Cb -0.13 -1.71 0.32 0.00 -1.56 0.00 0.00 34.95 31.87 2bkd s ARG 113 CO 0.02 0.14 1.61 0.43 -0.81 0.00 0.00 175.30 176.69 2bkd n SER 114 N 3.52 6.66 -1.41 -2.12 7.64 -1.26 -1.76 113.62 124.89 2bkd n SER 114 Ca -0.20 -3.68 0.00 0.00 1.01 0.00 0.00 58.87 56.00 2bkd n SER 114 Cb 0.52 -1.03 0.00 0.00 -1.01 0.00 0.00 64.21 62.69 2bkd n SER 114 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2bkd n VAL 115 N -0.03 -8.01 -3.43 0.44 0.31 -1.26 -5.01 118.33 101.33 2bkd n VAL 115 Ca 0.42 1.75 -0.44 0.00 -0.01 0.00 0.00 64.34 66.07 2bkd n VAL 115 Cb 0.29 -4.05 -0.09 0.00 -0.91 0.00 0.00 33.84 29.08 2bkd n VAL 115 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2bkd s ASN 116 N -0.28 6.10 -1.17 4.52 4.22 -1.26 -4.99 114.94 122.09 2bkd s ASN 116 Ca 0.00 -1.12 -0.07 0.00 -2.14 0.00 0.00 52.86 49.53 2bkd s ASN 116 Cb 0.00 -2.16 -0.02 0.00 1.28 0.00 0.00 41.25 40.35 2bkd s ASN 116 CO 0.00 -0.54 2.81 -0.81 -2.04 0.00 0.00 177.10 176.52 2bkd n PRO 117 N 5.17 3.68 -3.31 3.55 -0.04 -1.26 -4.96 135.00 137.82 2bkd n PRO 117 Ca -0.12 -2.54 -0.32 0.00 -0.04 0.00 0.00 63.50 60.48 2bkd n PRO 117 Cb 0.45 -2.56 -0.05 0.00 -0.04 0.00 0.00 33.50 31.30 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 1.25 6.66 0.35 3.54 4.22 -1.26 -5.07 114.94 124.62 2bkd s ASN 118 Ca 0.62 1.03 -0.19 0.00 -2.14 0.00 0.00 52.86 52.18 2bkd s ASN 118 Cb 0.22 -2.27 -0.10 0.00 1.28 0.00 0.00 41.25 40.39 2bkd s ASN 118 CO -0.09 -0.13 0.83 -0.54 -2.04 0.00 0.00 177.10 175.13 2bkd s LYS 119 N -2.93 4.17 0.88 3.55 3.01 -1.26 -4.92 119.74 122.24 2bkd s LYS 119 Ca 0.49 0.91 -0.12 0.00 -1.01 0.00 0.00 55.97 56.25 2bkd s LYS 119 Cb -0.11 -2.44 0.12 0.00 -1.01 0.00 0.00 37.83 34.39 2bkd s LYS 119 CO 0.21 0.14 1.12 -1.25 0.51 0.00 0.00 175.35 176.08 2bkd s PRO 120 N -2.82 1.36 0.37 -1.68 0.04 -1.26 -1.92 135.00 129.08 2bkd s PRO 120 Ca 0.55 0.40 -0.02 0.00 0.04 0.00 0.00 61.00 61.97 2bkd s PRO 120 Cb -0.11 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 2bkd s PRO 120 CO 0.17 -2.07 0.61 0.00 0.04 0.00 0.00 177.00 175.75 2bkd s ALA 121 N -3.23 3.61 0.00 8.56 0.00 -0.39 -4.77 121.76 125.54 2bkd s ALA 121 Ca 0.63 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.86 2bkd s ALA 121 Cb -0.15 -2.27 0.00 0.00 0.00 0.00 0.00 23.12 20.70 2bkd s ALA 121 CO 0.54 -0.04 0.00 -2.37 0.00 0.00 0.00 175.76 173.89 2bkd n THR 122 N -1.71 0.00 0.13 0.00 5.66 -1.26 -4.80 114.28 112.30 2bkd n THR 122 Ca -0.03 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 60.95 2bkd n THR 122 Cb 0.55 0.00 0.13 0.00 -1.55 0.00 0.00 70.33 69.47 2bkd n THR 122 CO 0.00 0.00 0.00 0.07 -3.05 0.00 0.00 175.07 172.09 2bkd h LYS 123 N 0.00 0.01 0.00 1.09 2.10 -1.99 -3.30 116.57 114.48 2bkd h LYS 123 Ca 0.00 -0.01 -0.07 0.00 -2.00 0.00 0.00 60.65 58.57 2bkd h LYS 123 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 2bkd h LYS 123 CO 0.00 0.67 -0.33 -0.44 -2.00 0.00 0.00 179.45 177.35 2bkd h ASP 124 N 0.01 0.00 -0.88 7.07 3.32 -1.97 -2.53 116.42 121.44 2bkd h ASP 124 Ca -0.01 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.05 2bkd h ASP 124 Cb 1.17 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.68 2bkd h ASP 124 CO 0.09 0.33 0.58 0.71 -1.72 0.00 0.00 179.24 179.22 2bkd h THR 125 N 0.00 1.23 -1.08 0.35 1.35 -1.89 -3.43 112.91 109.44 2bkd h THR 125 Ca -0.00 -0.43 -0.58 0.00 -0.55 0.00 0.00 66.41 64.85 2bkd h THR 125 Cb 0.60 -0.06 -0.15 0.00 -1.73 0.00 0.00 68.15 66.81 2bkd h THR 125 CO 0.04 0.22 1.13 0.49 -0.25 0.00 0.00 175.52 177.16 2bkd n PHE 126 N -4.39 1.93 -3.60 4.73 3.72 -0.95 -5.06 117.46 113.83 2bkd n PHE 126 Ca 0.10 -2.26 0.04 0.00 -0.05 0.00 0.00 57.45 55.28 2bkd n PHE 126 Cb 0.03 -1.55 0.00 0.00 -0.94 0.00 0.00 39.48 37.01 2bkd n PHE 126 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 2bkd s LYS 128 N -1.45 0.01 0.00 -1.08 1.02 -1.26 -5.14 119.74 111.83 2bkd s LYS 128 Ca 0.57 -0.00 -0.30 0.00 0.02 0.00 0.00 55.97 56.26 2bkd s LYS 128 Cb 0.31 0.00 -0.05 0.00 -0.52 0.00 0.00 37.83 37.57 2bkd s LYS 128 CO -0.17 -0.00 1.33 0.42 -0.92 0.00 0.00 175.35 176.00 2bkd s ILE 129 N -2.01 3.85 -0.64 2.17 1.01 -1.26 -4.93 121.20 119.40 2bkd s ILE 129 Ca 0.17 1.25 -0.26 0.00 0.00 0.00 0.00 60.65 61.80 2bkd s ILE 129 Cb 0.07 -3.80 0.04 0.00 0.01 0.00 0.00 42.46 38.78 2bkd s ILE 129 CO -0.07 0.02 1.16 -0.75 0.00 0.00 0.00 174.94 175.30 2bkd s LYS 130 N 2.09 3.31 -0.08 2.79 2.20 -1.26 -4.96 119.74 123.83 2bkd s LYS 130 Ca 0.61 -0.15 -0.00 0.00 -0.36 0.00 0.00 55.97 56.07 2bkd s LYS 130 Cb -0.30 -4.11 0.02 0.00 -1.51 0.00 0.00 37.83 31.94 2bkd s LYS 130 CO 0.26 -1.84 -0.04 -1.17 -0.36 0.00 0.00 175.35 172.20 2bkd s LEU 131 N 4.97 0.96 -1.71 5.43 2.96 -1.26 -4.79 118.68 125.24 2bkd s LEU 131 Ca 0.35 -0.17 0.00 0.00 -0.22 0.00 0.00 54.13 54.10 2bkd s LEU 131 Cb -0.10 -0.58 0.00 0.00 0.50 0.00 0.00 46.19 46.01 2bkd s LEU 131 CO 0.19 -0.13 0.00 0.47 -1.32 0.00 0.00 176.35 175.55 2bkd n ASP 132 N 4.80 -5.10 -3.84 3.68 9.92 -1.26 -4.95 116.55 119.79 2bkd n ASP 132 Ca -0.13 0.25 -0.29 0.00 -0.53 0.00 0.00 54.79 54.09 2bkd n ASP 132 Cb 0.50 -4.16 -0.13 0.00 -0.64 0.00 0.00 41.12 36.69 2bkd n ASP 132 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2bkd s VAL 133 N -2.74 2.20 -2.14 2.53 1.01 -1.26 -5.34 120.40 114.66 2bkd s VAL 133 Ca 0.00 -3.30 0.31 0.00 0.00 0.00 0.00 61.98 58.99 2bkd s VAL 133 Cb 0.00 -2.51 0.81 0.00 0.00 0.00 0.00 36.38 34.68 2bkd s VAL 133 CO 0.00 -0.90 2.09 -0.81 0.00 0.00 0.00 175.10 175.48