#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bn0 n ASN 2 N 0.00 5.43 -0.01 3.17 3.02 -1.26 -4.39 115.26 121.22 2bn0 n ASN 2 Ca 0.00 -3.15 -0.00 0.00 -0.03 0.00 0.00 54.58 51.40 2bn0 n ASN 2 Cb 0.00 -1.44 -0.00 0.00 -0.61 0.00 0.00 39.78 37.73 2bn0 n ASN 2 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bn0 n GLY 3 N 2.67 0.41 3.83 7.41 0.00 -1.26 -5.03 105.19 113.22 2bn0 n GLY 3 Ca 0.35 -0.91 -0.32 0.00 0.00 0.00 0.00 46.02 45.14 2bn0 n GLY 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bn0 s ALA 4 N -2.00 2.96 -0.33 4.61 0.00 -1.26 -5.04 121.76 120.70 2bn0 s ALA 4 Ca 0.00 0.25 0.03 0.00 0.00 0.00 0.00 51.96 52.24 2bn0 s ALA 4 Cb 0.00 -3.16 0.10 0.00 0.00 0.00 0.00 23.12 20.06 2bn0 s ALA 4 CO 0.00 -0.43 0.04 0.42 0.00 0.00 0.00 175.76 175.79 2bn0 s ILE 5 N -2.57 2.09 -0.47 0.00 -1.09 -1.26 -4.53 121.20 113.38 2bn0 s ILE 5 Ca 0.60 -2.16 -0.10 0.00 -2.23 0.00 0.00 60.65 56.76 2bn0 s ILE 5 Cb -0.12 -2.52 0.11 0.00 -1.58 0.00 0.00 42.46 38.35 2bn0 s ILE 5 CO 0.33 -0.55 0.35 -0.54 -1.23 0.00 0.00 174.94 173.30 2bn0 s LYS 6 N 1.01 2.56 -0.12 2.79 1.02 -1.26 -0.60 119.74 125.14 2bn0 s LYS 6 Ca 0.09 -1.70 -0.06 0.00 0.02 0.00 0.00 55.97 54.32 2bn0 s LYS 6 Cb -0.19 -3.94 -0.04 0.00 -0.52 0.00 0.00 37.83 33.14 2bn0 s LYS 6 CO -0.10 -1.17 0.09 0.54 -0.92 0.00 0.00 175.35 173.80 2bn0 s VAL 7 N 1.40 5.07 0.00 3.17 0.11 -1.01 -4.99 120.40 124.15 2bn0 s VAL 7 Ca 0.05 0.05 0.00 0.00 -2.93 0.00 0.00 61.98 59.15 2bn0 s VAL 7 Cb -0.26 -3.20 0.00 0.00 -1.53 0.00 0.00 36.38 31.39 2bn0 s VAL 7 CO 0.00 0.59 0.00 0.61 -3.33 0.00 0.00 175.10 172.97 2bn0 n GLY 8 N 2.28 -0.26 0.00 6.54 0.00 -1.26 -2.42 105.19 110.07 2bn0 n GLY 8 Ca -0.19 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.62 2bn0 n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bn0 n ALA 9 N -0.69 0.00 -2.69 4.61 0.00 -1.23 -4.92 120.51 115.59 2bn0 n ALA 9 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 2bn0 n ALA 9 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 2bn0 n ALA 9 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2bn0 s TRP 10 N -0.10 3.48 -5.00 0.00 0.51 -0.71 -4.83 118.94 112.29 2bn0 s TRP 10 Ca 0.00 1.24 0.00 0.00 -2.12 0.00 0.00 56.10 55.22 2bn0 s TRP 10 Cb 0.00 -2.93 0.00 0.00 -0.81 0.00 0.00 33.47 29.73 2bn0 s TRP 10 CO 0.00 -0.11 0.00 0.41 -0.51 0.00 0.00 176.95 176.74 2bn0 n GLY 11 N 3.35 0.79 4.00 0.98 0.00 -1.26 -1.49 105.19 111.56 2bn0 n GLY 11 Ca 0.02 -1.66 -0.18 0.00 0.00 0.00 0.00 46.02 44.20 2bn0 n GLY 11 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2bn0 s GLY 12 N 0.00 1.95 0.00 -0.02 0.00 -0.19 -4.92 107.32 104.14 2bn0 s GLY 12 Ca 0.00 -1.73 0.27 0.00 0.00 0.00 0.00 44.72 43.26 2bn0 s GLY 12 CO 0.00 -1.53 1.68 0.70 0.00 0.00 0.00 173.10 173.95 2bn0 n ASN 13 N -1.86 0.86 -2.51 1.64 3.02 -1.26 -4.37 115.26 110.78 2bn0 n ASN 13 Ca 0.08 -0.82 0.00 0.00 -0.03 0.00 0.00 54.58 53.81 2bn0 n ASN 13 Cb 0.60 0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.82 2bn0 n ASN 13 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bn0 n GLY 14 N 1.31 -2.26 7.00 7.41 0.00 -1.26 -4.92 105.19 112.47 2bn0 n GLY 14 Ca 0.13 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.68 2bn0 n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bn0 n GLY 15 N 2.79 -1.21 3.25 -0.02 0.00 -1.26 -4.69 105.19 104.04 2bn0 n GLY 15 Ca 0.00 -1.13 -0.30 0.00 0.00 0.00 0.00 46.02 44.60 2bn0 n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bn0 s SER 16 N -4.00 2.78 0.36 1.61 0.01 0.24 -4.80 113.70 109.89 2bn0 s SER 16 Ca 0.00 -0.44 -0.28 0.00 1.31 0.00 0.00 55.95 56.54 2bn0 s SER 16 Cb 0.00 -0.53 -0.12 0.00 0.21 0.00 0.00 66.02 65.58 2bn0 s SER 16 CO 0.00 0.25 1.36 0.00 0.41 0.00 0.00 173.24 175.26 2bn0 n ALA 17 N 2.75 1.68 -2.81 1.44 0.00 -1.26 -0.40 120.51 121.90 2bn0 n ALA 17 Ca -0.17 0.35 -0.14 0.00 0.00 0.00 0.00 53.44 53.48 2bn0 n ALA 17 Cb 0.52 -2.31 -0.13 0.00 0.00 0.00 0.00 19.45 17.53 2bn0 n ALA 17 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2bn0 s PHE 18 N -1.11 0.51 -0.15 0.00 -0.12 0.45 -4.84 117.98 112.72 2bn0 s PHE 18 Ca 0.55 -0.26 -0.04 0.00 -0.05 0.00 0.00 56.93 57.13 2bn0 s PHE 18 Cb -0.53 -0.32 0.06 0.00 -0.63 0.00 0.00 43.02 41.60 2bn0 s PHE 18 CO 0.63 -0.04 0.14 0.34 -0.05 0.00 0.00 175.22 176.24 2bn0 s ASP 19 N -0.72 1.54 0.26 1.98 -1.08 -1.26 0.46 116.67 117.85 2bn0 s ASP 19 Ca -0.03 -0.19 0.14 0.00 -0.52 0.00 0.00 52.55 51.94 2bn0 s ASP 19 Cb -0.05 0.09 0.09 0.00 -1.46 0.00 0.00 42.92 41.59 2bn0 s ASP 19 CO 0.00 -0.31 1.45 -0.03 0.52 0.00 0.00 175.17 176.80 2bn0 h MET 20 N 8.38 0.00 -0.26 4.34 1.85 -0.59 -3.49 114.93 125.16 2bn0 h MET 20 Ca -0.15 0.00 0.03 0.00 -0.61 0.00 0.00 59.70 58.97 2bn0 h MET 20 Cb 1.14 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 33.16 2bn0 h MET 20 CO 0.24 0.57 -0.09 0.41 -0.40 0.00 0.00 176.91 177.64 2bn0 n GLY 21 N 1.12 -2.45 3.76 1.39 0.00 -1.22 -4.87 105.19 102.91 2bn0 n GLY 21 Ca 0.01 -1.44 -0.34 0.00 0.00 0.00 0.00 46.02 44.26 2bn0 n GLY 21 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2bn0 s PRO 22 N -2.76 2.84 0.41 1.61 0.04 -1.26 -4.18 135.00 131.70 2bn0 s PRO 22 Ca 0.00 1.57 0.08 0.00 0.04 0.00 0.00 61.00 62.69 2bn0 s PRO 22 Cb 0.00 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.57 2bn0 s PRO 22 CO 0.00 -1.25 0.32 0.00 0.04 0.00 0.00 177.00 176.11 2bn0 s ALA 23 N -2.03 3.92 -0.12 8.56 0.00 -0.17 -4.95 121.76 126.97 2bn0 s ALA 23 Ca 0.71 -1.92 0.17 0.00 0.00 0.00 0.00 51.96 50.92 2bn0 s ALA 23 Cb -0.24 -0.87 -0.20 0.00 0.00 0.00 0.00 23.12 21.80 2bn0 s ALA 23 CO 0.37 -0.19 0.58 0.98 0.00 0.00 0.00 175.76 177.51 2bn0 n TYR 24 N -1.45 0.63 -3.22 0.00 9.36 -0.83 -4.89 117.16 116.77 2bn0 n TYR 24 Ca 0.02 0.21 0.04 0.00 3.32 0.00 0.00 57.90 61.50 2bn0 n TYR 24 Cb 0.62 -1.01 -0.02 0.00 -0.63 0.00 0.00 39.34 38.30 2bn0 n TYR 24 CO 0.00 0.00 0.00 0.50 0.22 0.00 0.00 176.86 177.58 2bn0 s ARG 25 N -2.86 0.28 -0.35 2.98 3.00 -1.21 -4.99 118.95 115.79 2bn0 s ARG 25 Ca -0.05 0.55 -0.29 0.00 -1.00 0.00 0.00 55.73 54.93 2bn0 s ARG 25 Cb 0.09 0.31 0.02 0.00 0.00 0.00 0.00 34.95 35.37 2bn0 s ARG 25 CO 0.83 -0.24 1.09 0.42 0.00 0.00 0.00 175.30 177.40 2bn0 s ILE 26 N 2.80 4.44 -0.08 4.11 1.01 -1.26 -1.94 121.20 130.27 2bn0 s ILE 26 Ca 0.02 1.63 -0.25 0.00 0.00 0.00 0.00 60.65 62.05 2bn0 s ILE 26 Cb -0.10 -4.46 -0.27 0.00 0.01 0.00 0.00 42.46 37.65 2bn0 s ILE 26 CO -0.14 -0.59 0.89 0.40 0.00 0.00 0.00 174.94 175.49 2bn0 h ILE 27 N 5.84 1.63 -2.32 2.92 2.04 -1.36 -3.43 117.51 122.82 2bn0 h ILE 27 Ca -0.21 -2.29 -0.08 0.00 1.00 0.00 0.00 64.86 63.28 2bn0 h ILE 27 Cb 1.06 3.14 -0.19 0.00 -0.74 0.00 0.00 36.82 40.09 2bn0 h ILE 27 CO 1.05 0.62 0.04 -0.94 0.00 0.00 0.00 178.15 178.93 2bn0 s SER 28 N -6.50 -0.52 -0.05 1.72 1.04 -0.80 -1.29 113.70 107.30 2bn0 s SER 28 Ca -0.16 0.56 0.04 0.00 0.48 0.00 0.00 55.95 56.87 2bn0 s SER 28 Cb -0.01 0.51 -0.00 0.00 0.10 0.00 0.00 66.02 66.63 2bn0 s SER 28 CO 0.75 -0.54 -0.16 -0.69 0.98 0.00 0.00 173.24 173.58 2bn0 s VAL 29 N -1.15 1.40 -0.18 5.02 1.01 0.30 -1.46 120.40 125.34 2bn0 s VAL 29 Ca -0.11 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.19 2bn0 s VAL 29 Cb -0.02 -1.21 0.04 0.00 0.00 0.00 0.00 36.38 35.19 2bn0 s VAL 29 CO 0.08 0.41 -0.10 -0.75 0.00 0.00 0.00 175.10 174.73 2bn0 s LYS 30 N 0.16 1.98 -0.27 2.72 2.20 0.13 0.97 119.74 127.62 2bn0 s LYS 30 Ca -0.06 -0.73 -0.12 0.00 -0.36 0.00 0.00 55.97 54.70 2bn0 s LYS 30 Cb -0.12 -2.28 -0.05 0.00 -1.51 0.00 0.00 37.83 33.87 2bn0 s LYS 30 CO 0.03 -0.39 0.22 0.42 -0.36 0.00 0.00 175.35 175.27 2bn0 s ILE 31 N 1.46 5.29 -0.48 5.43 1.09 0.06 -0.91 121.20 133.14 2bn0 s ILE 31 Ca 0.00 0.25 -0.18 0.00 -1.10 0.00 0.00 60.65 59.63 2bn0 s ILE 31 Cb -0.15 -3.56 0.05 0.00 -1.06 0.00 0.00 42.46 37.74 2bn0 s ILE 31 CO -0.09 0.25 0.52 -0.36 -0.10 0.00 0.00 174.94 175.17 2bn0 s PHE 32 N 1.68 3.13 0.23 3.97 0.40 -0.30 -1.43 117.98 125.65 2bn0 s PHE 32 Ca 0.09 -0.62 0.11 0.00 -0.60 0.00 0.00 56.93 55.91 2bn0 s PHE 32 Cb -0.16 -3.30 -0.05 0.00 0.51 0.00 0.00 43.02 40.03 2bn0 s PHE 32 CO 0.10 -0.90 -0.15 -1.54 0.70 0.00 0.00 175.22 173.43 2bn0 s SER 33 N 2.48 3.87 0.00 1.36 1.04 -0.62 0.99 113.70 122.82 2bn0 s SER 33 Ca 0.11 -0.81 0.00 0.00 0.48 0.00 0.00 55.95 55.73 2bn0 s SER 33 Cb -0.20 -0.48 0.00 0.00 0.10 0.00 0.00 66.02 65.44 2bn0 s SER 33 CO 0.11 0.07 0.00 0.61 0.98 0.00 0.00 173.24 175.01 2bn0 n GLY 34 N -0.25 3.29 0.15 7.32 0.00 -1.26 -1.20 105.19 113.24 2bn0 n GLY 34 Ca -0.09 -0.34 -0.08 0.00 0.00 0.00 0.00 46.02 45.51 2bn0 n GLY 34 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2bn0 h ASP 35 N 0.00 0.34 -2.07 1.61 3.32 -1.96 -3.25 116.42 114.41 2bn0 h ASP 35 Ca 0.00 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 56.81 2bn0 h ASP 35 Cb 0.00 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.45 2bn0 h ASP 35 CO 0.00 0.99 0.00 1.33 -1.72 0.00 0.00 179.24 179.84 2bn0 n VAL 36 N -3.77 0.00 -3.34 -1.35 0.24 -1.26 -0.04 118.33 108.81 2bn0 n VAL 36 Ca -0.04 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 61.87 2bn0 n VAL 36 Cb 0.73 0.00 -0.08 0.00 -1.47 0.00 0.00 33.84 33.02 2bn0 n VAL 36 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2bn0 s VAL 37 N -1.17 5.15 -0.13 3.34 1.01 0.90 -4.40 120.40 125.10 2bn0 s VAL 37 Ca 0.00 0.71 -0.16 0.00 0.00 0.00 0.00 61.98 62.53 2bn0 s VAL 37 Cb 0.00 -3.75 -0.14 0.00 0.00 0.00 0.00 36.38 32.49 2bn0 s VAL 37 CO 0.00 0.16 0.38 0.44 0.00 0.00 0.00 175.10 176.08 2bn0 h ASP 38 N 7.90 0.00 -5.21 3.32 3.32 0.32 -1.46 116.42 124.61 2bn0 h ASP 38 Ca -0.32 -0.52 0.09 0.00 0.02 0.00 0.00 57.03 56.30 2bn0 h ASP 38 Cb 1.16 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.68 2bn0 h ASP 38 CO 0.69 0.82 0.43 -0.83 -1.72 0.00 0.00 179.24 178.62 2bn0 s GLY 39 N -3.99 0.16 -0.05 2.75 0.00 -1.11 0.36 107.32 105.44 2bn0 s GLY 39 Ca -0.12 -0.45 0.02 0.00 0.00 0.00 0.00 44.72 44.17 2bn0 s GLY 39 CO 0.38 0.89 -0.09 0.14 0.00 0.00 0.00 173.10 174.42 2bn0 s VAL 40 N -2.47 0.85 -0.19 1.40 1.01 0.11 -1.15 120.40 119.97 2bn0 s VAL 40 Ca 0.17 -0.33 -0.04 0.00 0.00 0.00 0.00 61.98 61.79 2bn0 s VAL 40 Cb -0.04 -0.80 -0.02 0.00 0.00 0.00 0.00 36.38 35.52 2bn0 s VAL 40 CO 0.08 0.29 -0.03 -1.81 0.00 0.00 0.00 175.10 173.62 2bn0 s ASP 41 N 0.64 4.62 -0.10 3.32 1.11 -0.09 -0.56 116.67 125.61 2bn0 s ASP 41 Ca -0.11 -0.24 0.03 0.00 0.18 0.00 0.00 52.55 52.42 2bn0 s ASP 41 Cb -0.14 -1.77 0.00 0.00 1.07 0.00 0.00 42.92 42.08 2bn0 s ASP 41 CO 0.02 0.08 -0.22 -0.69 1.18 0.00 0.00 175.17 175.55 2bn0 s VAL 42 N 0.87 1.91 -0.19 -1.27 1.01 -0.50 -0.70 120.40 121.53 2bn0 s VAL 42 Ca -0.00 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 61.04 2bn0 s VAL 42 Cb -0.14 -1.67 0.00 0.00 0.00 0.00 0.00 36.38 34.57 2bn0 s VAL 42 CO 0.02 0.53 -0.13 -0.89 0.00 0.00 0.00 175.10 174.62 2bn0 s THR 43 N 0.51 2.71 0.29 3.92 2.01 -0.54 -0.89 115.64 123.65 2bn0 s THR 43 Ca -0.16 -0.73 -0.05 0.00 0.31 0.00 0.00 61.69 61.07 2bn0 s THR 43 Cb -0.17 -2.18 -0.01 0.00 0.01 0.00 0.00 72.50 70.15 2bn0 s THR 43 CO 0.06 0.49 0.40 0.72 -0.69 0.00 0.00 174.62 175.60 2bn0 s PHE 44 N 1.24 0.90 -0.11 4.92 -0.12 0.77 -0.89 117.98 124.69 2bn0 s PHE 44 Ca 0.03 -1.15 -0.00 0.00 -0.05 0.00 0.00 56.93 55.75 2bn0 s PHE 44 Cb -0.14 -0.12 -0.02 0.00 -0.63 0.00 0.00 43.02 42.11 2bn0 s PHE 44 CO -0.06 -0.99 -0.09 0.95 -0.05 0.00 0.00 175.22 174.98 2bn0 s THR 45 N -3.58 3.48 -0.05 -4.49 -4.23 -0.82 0.18 115.64 106.12 2bn0 s THR 45 Ca 0.30 -0.53 -0.01 0.00 -1.18 0.00 0.00 61.69 60.26 2bn0 s THR 45 Cb 0.01 -2.46 0.03 0.00 1.34 0.00 0.00 72.50 71.42 2bn0 s THR 45 CO 0.16 0.55 0.03 -0.47 -0.54 0.00 0.00 174.62 174.34 2bn0 s TYR 46 N -0.11 0.37 -1.53 3.99 5.04 0.20 -1.96 117.35 123.34 2bn0 s TYR 46 Ca 0.00 0.04 -0.11 0.00 -2.44 0.00 0.00 57.07 54.56 2bn0 s TYR 46 Cb -0.13 -0.63 0.08 0.00 0.35 0.00 0.00 41.96 41.63 2bn0 s TYR 46 CO 0.03 -0.25 0.78 0.66 -1.34 0.00 0.00 175.55 175.43 2bn0 n TYR 47 N 5.13 -1.96 0.00 4.97 4.02 -1.26 -2.70 117.16 125.35 2bn0 n TYR 47 Ca -0.07 0.84 0.00 0.00 -0.01 0.00 0.00 57.90 58.66 2bn0 n TYR 47 Cb 0.50 -3.70 0.00 0.00 -0.02 0.00 0.00 39.34 36.12 2bn0 n TYR 47 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2bn0 n GLY 48 N -1.65 2.99 3.85 2.72 0.00 -1.26 -5.05 105.19 106.80 2bn0 n GLY 48 Ca -0.07 -0.81 -0.32 0.00 0.00 0.00 0.00 46.02 44.83 2bn0 n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bn0 s LYS 49 N 0.00 3.96 -0.05 1.61 3.01 -1.10 -5.04 119.74 122.13 2bn0 s LYS 49 Ca 0.00 0.59 -0.23 0.00 -1.01 0.00 0.00 55.97 55.33 2bn0 s LYS 49 Cb 0.00 -2.47 -0.04 0.00 -1.01 0.00 0.00 37.83 34.31 2bn0 s LYS 49 CO 0.00 0.18 0.66 0.99 0.51 0.00 0.00 175.35 177.69 2bn0 s THR 50 N -1.97 5.02 0.20 2.17 2.01 -1.26 -0.63 115.64 121.17 2bn0 s THR 50 Ca 0.53 1.37 0.08 0.00 0.31 0.00 0.00 61.69 63.98 2bn0 s THR 50 Cb -0.10 -4.00 -0.05 0.00 0.01 0.00 0.00 72.50 68.36 2bn0 s THR 50 CO 0.18 0.29 -0.15 -1.61 -0.69 0.00 0.00 174.62 172.65 2bn0 s GLU 51 N 0.56 1.32 -0.02 4.92 0.41 0.46 -4.96 118.70 121.40 2bn0 s GLU 51 Ca 0.35 -1.56 0.01 0.00 -0.41 0.00 0.00 54.97 53.36 2bn0 s GLU 51 Cb -0.18 -1.16 0.01 0.00 -1.78 0.00 0.00 34.13 31.02 2bn0 s GLU 51 CO 0.17 0.20 -0.01 0.99 -0.49 0.00 0.00 175.26 176.12 2bn0 s THR 52 N -2.80 0.20 0.08 3.63 2.01 -1.26 -0.17 115.64 117.34 2bn0 s THR 52 Ca 0.21 -0.01 0.08 0.00 0.31 0.00 0.00 61.69 62.28 2bn0 s THR 52 Cb -0.02 -0.23 -0.03 0.00 0.01 0.00 0.00 72.50 72.23 2bn0 s THR 52 CO 0.07 0.10 -0.21 -0.13 -0.69 0.00 0.00 174.62 173.77 2bn0 s ARG 53 N 0.49 1.19 -0.27 4.92 1.81 -0.07 -4.98 118.95 122.04 2bn0 s ARG 53 Ca -0.05 -1.09 0.02 0.00 -1.72 0.00 0.00 55.73 52.89 2bn0 s ARG 53 Cb -0.08 -1.40 0.06 0.00 -0.45 0.00 0.00 34.95 33.08 2bn0 s ARG 53 CO -0.01 0.34 -0.08 -1.01 -0.68 0.00 0.00 175.30 173.86 2bn0 s HIS 54 N -1.05 3.27 0.04 -0.53 3.76 -1.26 -1.41 115.29 118.10 2bn0 s HIS 54 Ca 0.06 -2.20 0.05 0.00 -0.15 0.00 0.00 55.06 52.82 2bn0 s HIS 54 Cb -0.10 -1.99 -0.04 0.00 1.11 0.00 0.00 32.58 31.57 2bn0 s HIS 54 CO 0.03 -0.86 -0.10 0.71 -0.85 0.00 0.00 174.74 173.68 2bn0 s TYR 55 N 1.14 2.78 0.00 1.40 1.51 0.28 -4.99 117.35 119.47 2bn0 s TYR 55 Ca -0.08 -0.12 0.00 0.00 -1.01 0.00 0.00 57.07 55.87 2bn0 s TYR 55 Cb -0.20 -1.53 0.00 0.00 -0.11 0.00 0.00 41.96 40.12 2bn0 s TYR 55 CO -0.04 0.36 0.00 0.41 -1.11 0.00 0.00 175.55 175.17 2bn0 n GLY 56 N 1.30 -1.44 3.94 0.71 0.00 -1.26 0.10 105.19 108.54 2bn0 n GLY 56 Ca -0.15 -1.44 -0.26 0.00 0.00 0.00 0.00 46.02 44.17 2bn0 n GLY 56 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2bn0 s GLY 57 N 0.00 1.73 0.05 -0.02 0.00 0.16 -4.65 107.32 104.59 2bn0 s GLY 57 Ca 0.00 -1.17 0.24 0.00 0.00 0.00 0.00 44.72 43.80 2bn0 s GLY 57 CO 0.00 -0.64 1.34 -1.14 0.00 0.00 0.00 173.10 172.66 2bn0 n SER 58 N -3.10 0.58 -3.31 1.64 3.41 -1.26 -3.89 113.62 107.68 2bn0 n SER 58 Ca 0.11 -0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2bn0 n SER 58 Cb 0.60 0.28 0.00 0.00 -0.26 0.00 0.00 64.21 64.83 2bn0 n SER 58 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2bn0 n GLY 59 N 1.43 -1.94 0.62 5.00 0.00 -1.26 -4.99 105.19 104.04 2bn0 n GLY 59 Ca 0.04 -1.44 0.08 0.00 0.00 0.00 0.00 46.02 44.70 2bn0 n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bn0 n GLY 60 N 2.88 -2.21 3.49 -0.02 0.00 -1.26 -4.72 105.19 103.35 2bn0 n GLY 60 Ca 0.00 -1.33 -0.33 0.00 0.00 0.00 0.00 46.02 44.36 2bn0 n GLY 60 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bn0 s THR 61 N -2.49 3.39 0.28 2.61 2.01 -0.34 -4.75 115.64 116.34 2bn0 s THR 61 Ca 0.00 -0.58 -0.29 0.00 0.31 0.00 0.00 61.69 61.13 2bn0 s THR 61 Cb 0.00 -2.39 -0.10 0.00 0.01 0.00 0.00 72.50 70.02 2bn0 s THR 61 CO 0.00 0.56 1.24 -2.16 -0.69 0.00 0.00 174.62 173.57 2bn0 s PRO 62 N -0.33 4.45 -0.22 4.92 0.04 -1.26 -1.59 135.00 141.01 2bn0 s PRO 62 Ca 0.04 2.04 -0.03 0.00 0.04 0.00 0.00 61.00 63.09 2bn0 s PRO 62 Cb -0.13 -3.14 0.07 0.00 0.04 0.00 0.00 34.50 31.34 2bn0 s PRO 62 CO 0.02 -0.08 0.06 -1.01 0.04 0.00 0.00 177.00 176.04 2bn0 s HIS 63 N -0.78 0.99 -0.04 0.56 3.76 -0.52 -4.96 115.29 114.30 2bn0 s HIS 63 Ca 0.50 -0.97 -0.04 0.00 -0.15 0.00 0.00 55.06 54.39 2bn0 s HIS 63 Cb -0.36 -1.11 -0.04 0.00 1.11 0.00 0.00 32.58 32.18 2bn0 s HIS 63 CO 0.45 -0.68 0.17 -2.00 -0.85 0.00 0.00 174.74 171.84 2bn0 s GLU 64 N 1.87 3.45 -0.23 1.40 2.12 -1.26 -0.76 118.70 125.29 2bn0 s GLU 64 Ca 0.02 -0.25 -0.00 0.00 0.36 0.00 0.00 54.97 55.11 2bn0 s GLU 64 Cb -0.17 -3.13 0.03 0.00 0.26 0.00 0.00 34.13 31.12 2bn0 s GLU 64 CO -0.15 0.71 -0.11 0.42 -0.54 0.00 0.00 175.26 175.59 2bn0 s ILE 65 N -1.23 2.57 -0.25 -3.70 1.01 0.27 -4.98 121.20 114.90 2bn0 s ILE 65 Ca 0.23 -1.06 -0.07 0.00 0.00 0.00 0.00 60.65 59.76 2bn0 s ILE 65 Cb -0.12 -2.27 -0.02 0.00 0.01 0.00 0.00 42.46 40.06 2bn0 s ILE 65 CO 0.14 0.28 0.05 -0.69 0.00 0.00 0.00 174.94 174.71 2bn0 s VAL 66 N 1.29 4.11 -0.61 2.92 1.01 -1.26 -0.54 120.40 127.32 2bn0 s VAL 66 Ca 0.01 -0.26 -0.27 0.00 0.00 0.00 0.00 61.98 61.46 2bn0 s VAL 66 Cb -0.16 -2.92 0.04 0.00 0.00 0.00 0.00 36.38 33.33 2bn0 s VAL 66 CO -0.07 0.34 1.14 -0.76 0.00 0.00 0.00 175.10 175.75 2bn0 s LEU 67 N 1.58 3.61 0.77 3.92 1.43 -0.41 -5.01 118.68 124.56 2bn0 s LEU 67 Ca 0.06 -0.19 -0.12 0.00 -1.03 0.00 0.00 54.13 52.86 2bn0 s LEU 67 Cb -0.15 -2.91 0.06 0.00 0.03 0.00 0.00 46.19 43.22 2bn0 s LEU 67 CO 0.02 -1.49 1.12 -1.58 0.23 0.00 0.00 176.35 174.65 2bn0 s GLN 68 N 4.82 2.13 0.13 1.70 2.00 -1.26 -4.84 119.66 124.33 2bn0 s GLN 68 Ca 0.37 1.34 -0.34 0.00 -2.00 0.00 0.00 55.36 54.74 2bn0 s GLN 68 Cb -0.09 -1.87 -0.13 0.00 0.80 0.00 0.00 33.01 31.71 2bn0 s GLN 68 CO 0.21 -1.76 1.62 -1.91 -0.50 0.00 0.00 175.29 172.95 2bn0 n GLU 69 N -3.34 2.18 -0.24 1.67 4.07 -1.26 -0.89 120.64 122.83 2bn0 n GLU 69 Ca 0.10 0.79 0.00 0.00 -0.06 0.00 0.00 57.16 57.99 2bn0 n GLU 69 Cb 0.52 -2.57 0.00 0.00 -0.06 0.00 0.00 31.44 29.33 2bn0 n GLU 69 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2bn0 n GLY 70 N 3.56 1.10 3.78 8.31 0.00 -1.26 -5.04 105.19 115.65 2bn0 n GLY 70 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 2bn0 n GLY 70 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2bn0 s GLU 71 N -0.52 3.81 0.15 1.61 2.12 -0.07 -4.98 118.70 120.82 2bn0 s GLU 71 Ca 0.00 -0.20 0.04 0.00 0.36 0.00 0.00 54.97 55.17 2bn0 s GLU 71 Cb 0.00 -3.28 -0.04 0.00 0.26 0.00 0.00 34.13 31.06 2bn0 s GLU 71 CO 0.00 0.52 -0.08 0.71 -0.54 0.00 0.00 175.26 175.87 2bn0 s TYR 72 N -0.28 1.23 -0.51 5.30 1.51 -1.26 -4.62 117.35 118.72 2bn0 s TYR 72 Ca 0.11 -0.83 -0.27 0.00 -1.01 0.00 0.00 57.07 55.07 2bn0 s TYR 72 Cb -0.12 -0.66 0.03 0.00 -0.11 0.00 0.00 41.96 41.11 2bn0 s TYR 72 CO 0.01 0.00 1.05 -0.51 -1.11 0.00 0.00 175.55 174.99 2bn0 s LEU 73 N -3.16 3.79 -0.02 -1.29 1.43 -1.26 -2.67 118.68 115.50 2bn0 s LEU 73 Ca 0.18 0.13 0.12 0.00 -1.03 0.00 0.00 54.13 53.53 2bn0 s LEU 73 Cb 0.04 -3.22 0.36 0.00 0.03 0.00 0.00 46.19 43.39 2bn0 s LEU 73 CO 0.01 -1.24 1.30 1.33 0.23 0.00 0.00 176.35 177.98 2bn0 n VAL 74 N 6.56 1.12 -3.58 -1.59 0.24 0.04 -0.22 118.33 120.89 2bn0 n VAL 74 Ca 0.08 -1.07 -0.09 0.00 -2.04 0.00 0.00 64.34 61.21 2bn0 n VAL 74 Cb 0.49 0.43 -0.05 0.00 -1.47 0.00 0.00 33.84 33.24 2bn0 n VAL 74 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2bn0 s GLY 75 N -1.07 -0.24 -0.12 7.63 0.00 -1.05 -1.42 107.32 111.05 2bn0 s GLY 75 Ca 0.27 2.03 -0.11 0.00 0.00 0.00 0.00 44.72 46.91 2bn0 s GLY 75 CO 0.17 0.97 0.33 -0.29 0.00 0.00 0.00 173.10 174.28 2bn0 s MET 76 N -1.28 0.38 0.23 2.90 1.75 -1.16 -1.47 119.30 120.64 2bn0 s MET 76 Ca 0.00 0.47 -0.15 0.00 -1.25 0.00 0.00 55.69 54.76 2bn0 s MET 76 Cb -0.01 0.17 0.01 0.00 2.84 0.00 0.00 34.83 37.84 2bn0 s MET 76 CO -0.00 -0.05 0.50 0.00 -0.65 0.00 0.00 175.02 174.81 2bn0 s ALA 77 N 0.25 -0.52 0.00 4.11 0.00 -0.68 0.05 121.76 124.97 2bn0 s ALA 77 Ca -0.01 -0.64 0.00 0.00 0.00 0.00 0.00 51.96 51.31 2bn0 s ALA 77 Cb -0.03 0.97 0.00 0.00 0.00 0.00 0.00 23.12 24.06 2bn0 s ALA 77 CO -0.00 -0.84 0.00 0.41 0.00 0.00 0.00 175.76 175.32 2bn0 n GLY 78 N -0.36 -0.63 3.16 0.00 0.00 -1.00 -0.10 105.19 106.25 2bn0 n GLY 78 Ca -0.05 -0.59 -0.11 0.00 0.00 0.00 0.00 46.02 45.27 2bn0 n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bn0 s GLU 79 N -0.90 0.29 -0.46 1.61 2.02 -0.04 -2.75 118.70 118.47 2bn0 s GLU 79 Ca 0.00 0.69 -0.22 0.00 0.02 0.00 0.00 54.97 55.46 2bn0 s GLU 79 Cb 0.00 -0.05 0.03 0.00 0.10 0.00 0.00 34.13 34.21 2bn0 s GLU 79 CO 0.00 -0.18 0.71 0.14 0.02 0.00 0.00 175.26 175.96 2bn0 s VAL 80 N 1.49 4.74 0.44 2.63 -7.23 -0.47 -0.63 120.40 121.37 2bn0 s VAL 80 Ca -0.08 0.18 0.07 0.00 -1.81 0.00 0.00 61.98 60.34 2bn0 s VAL 80 Cb -0.10 -4.28 -0.03 0.00 0.56 0.00 0.00 36.38 32.53 2bn0 s VAL 80 CO -0.11 -0.69 0.24 0.00 -0.31 0.00 0.00 175.10 174.23 2bn0 s ALA 81 N 3.05 3.83 -0.22 1.32 0.00 0.17 -2.41 121.76 127.51 2bn0 s ALA 81 Ca 0.25 -1.85 -0.08 0.00 0.00 0.00 0.00 51.96 50.28 2bn0 s ALA 81 Cb -0.14 -0.53 -0.04 0.00 0.00 0.00 0.00 23.12 22.42 2bn0 s ALA 81 CO 0.20 -0.22 0.10 1.21 0.00 0.00 0.00 175.76 177.05 2bn0 s ASN 82 N -4.00 5.64 -0.35 0.00 3.84 -1.26 -0.40 114.94 118.40 2bn0 s ASN 82 Ca 0.39 -0.00 0.00 0.00 0.21 0.00 0.00 52.86 53.47 2bn0 s ASN 82 Cb 0.02 -2.00 0.11 0.00 -0.55 0.00 0.00 41.25 38.83 2bn0 s ASN 82 CO 0.22 0.07 0.14 -0.47 -2.79 0.00 0.00 177.10 174.27 2bn0 s TYR 83 N 1.00 1.92 -1.08 0.43 6.14 0.12 -4.87 117.35 121.01 2bn0 s TYR 83 Ca 0.05 -2.04 -0.10 0.00 0.64 0.00 0.00 57.07 55.62 2bn0 s TYR 83 Cb -0.14 -1.84 -0.05 0.00 0.42 0.00 0.00 41.96 40.35 2bn0 s TYR 83 CO 0.03 -0.85 0.88 0.72 0.64 0.00 0.00 175.55 176.97 2bn0 n HIS 84 N 4.38 -2.30 -1.96 4.97 8.25 -1.26 -2.85 115.22 124.46 2bn0 n HIS 84 Ca 0.02 0.74 -0.14 0.00 -0.26 0.00 0.00 57.72 58.07 2bn0 n HIS 84 Cb 0.39 -3.93 -0.03 0.00 1.12 0.00 0.00 29.99 27.55 2bn0 n HIS 84 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2bn0 n GLY 85 N -1.37 0.41 2.91 -1.41 0.00 -1.26 -5.00 105.19 99.47 2bn0 n GLY 85 Ca -0.08 -0.31 -0.15 0.00 0.00 0.00 0.00 46.02 45.48 2bn0 n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bn0 s ALA 86 N -2.64 -0.30 -0.47 4.61 0.00 -1.13 -5.11 121.76 116.72 2bn0 s ALA 86 Ca 0.00 0.70 -0.29 0.00 0.00 0.00 0.00 51.96 52.38 2bn0 s ALA 86 Cb 0.00 -0.78 0.03 0.00 0.00 0.00 0.00 23.12 22.37 2bn0 s ALA 86 CO 0.00 -0.48 1.11 0.08 0.00 0.00 0.00 175.76 176.47 2bn0 s VAL 87 N 2.03 4.25 0.26 0.00 1.01 -1.26 0.12 120.40 126.82 2bn0 s VAL 87 Ca -0.01 1.20 0.02 0.00 0.00 0.00 0.00 61.98 63.19 2bn0 s VAL 87 Cb -0.12 -4.58 -0.03 0.00 0.00 0.00 0.00 36.38 31.65 2bn0 s VAL 87 CO -0.07 -0.96 0.23 0.68 0.00 0.00 0.00 175.10 174.98 2bn0 s VAL 88 N 4.33 0.00 -0.18 2.92 -7.23 0.46 -3.03 120.40 117.68 2bn0 s VAL 88 Ca 0.47 -1.95 -0.29 0.00 -1.81 0.00 0.00 61.98 58.39 2bn0 s VAL 88 Cb -0.08 -2.50 -0.00 0.00 0.56 0.00 0.00 36.38 34.36 2bn0 s VAL 88 CO 0.30 0.00 1.11 -0.76 -0.31 0.00 0.00 175.10 175.44 2bn0 s LEU 89 N -3.24 4.16 0.04 1.32 1.02 -0.50 0.45 118.68 121.93 2bn0 s LEU 89 Ca 0.39 1.53 0.23 0.00 0.02 0.00 0.00 54.13 56.29 2bn0 s LEU 89 Cb 0.04 -3.54 0.01 0.00 0.02 0.00 0.00 46.19 42.72 2bn0 s LEU 89 CO 0.19 -0.65 0.99 0.61 0.02 0.00 0.00 176.35 177.51 2bn0 n GLY 90 N 3.36 -1.18 3.29 -3.19 0.00 0.20 -0.07 105.19 107.60 2bn0 n GLY 90 Ca 0.12 -0.42 -0.13 0.00 0.00 0.00 0.00 46.02 45.59 2bn0 n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bn0 s LYS 91 N -3.20 0.46 -0.12 1.61 1.02 -1.20 -2.50 119.74 115.83 2bn0 s LYS 91 Ca 0.03 0.59 -0.12 0.00 0.02 0.00 0.00 55.97 56.49 2bn0 s LYS 91 Cb 0.14 0.20 0.03 0.00 -0.52 0.00 0.00 37.83 37.69 2bn0 s LYS 91 CO 0.81 -0.07 0.33 -1.17 -0.92 0.00 0.00 175.35 174.33 2bn0 s LEU 92 N 0.35 0.74 0.14 3.17 2.96 -0.74 -0.87 118.68 124.42 2bn0 s LEU 92 Ca -0.01 0.62 -0.14 0.00 -0.22 0.00 0.00 54.13 54.38 2bn0 s LEU 92 Cb -0.03 1.15 0.02 0.00 0.50 0.00 0.00 46.19 47.83 2bn0 s LEU 92 CO -0.01 -0.14 0.38 -0.83 -1.32 0.00 0.00 176.35 174.43 2bn0 s GLY 93 N 0.06 -0.09 0.21 7.98 0.00 0.86 0.46 107.32 116.80 2bn0 s GLY 93 Ca -0.01 -0.28 0.02 0.00 0.00 0.00 0.00 44.72 44.46 2bn0 s GLY 93 CO 0.01 -0.44 0.02 -1.36 0.00 0.00 0.00 173.10 171.32 2bn0 s PHE 94 N -3.85 1.39 -0.00 1.90 0.40 -0.82 -1.68 117.98 115.31 2bn0 s PHE 94 Ca 0.06 -1.01 0.01 0.00 -0.60 0.00 0.00 56.93 55.39 2bn0 s PHE 94 Cb 0.02 -0.80 -0.00 0.00 0.51 0.00 0.00 43.02 42.75 2bn0 s PHE 94 CO -0.09 -0.17 -0.04 -1.12 0.70 0.00 0.00 175.22 174.50 2bn0 s SER 95 N -3.24 0.47 0.32 1.36 0.01 -0.54 0.74 113.70 112.82 2bn0 s SER 95 Ca 0.28 -0.10 0.10 0.00 1.31 0.00 0.00 55.95 57.53 2bn0 s SER 95 Cb 0.06 -0.04 -0.06 0.00 0.21 0.00 0.00 66.02 66.19 2bn0 s SER 95 CO 0.07 0.03 -0.06 0.42 0.41 0.00 0.00 173.24 174.11 2bn0 s THR 96 N -0.18 2.55 -0.73 1.44 -4.23 0.16 -0.78 115.64 113.87 2bn0 s THR 96 Ca 0.01 -2.12 0.00 0.00 -1.18 0.00 0.00 61.69 58.39 2bn0 s THR 96 Cb -0.02 -2.66 0.00 0.00 1.34 0.00 0.00 72.50 71.16 2bn0 s THR 96 CO -0.00 -0.25 0.29 -0.46 -0.54 0.00 0.00 174.62 173.66 2bn0 n ASN 97 N -0.84 0.72 0.00 3.99 6.94 -1.09 -2.86 115.26 122.12 2bn0 n ASN 97 Ca -0.05 -0.93 0.00 0.00 -0.02 0.00 0.00 54.58 53.59 2bn0 n ASN 97 Cb 0.62 -0.23 0.00 0.00 -2.36 0.00 0.00 39.78 37.81 2bn0 n ASN 97 CO 0.00 0.00 0.00 1.17 -1.03 0.00 0.00 177.26 177.40 2bn0 n LYS 98 N 0.40 0.00 -4.09 -3.83 3.00 -1.26 -4.99 118.16 107.39 2bn0 n LYS 98 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.21 2bn0 n LYS 98 Cb 0.15 -0.25 -0.08 0.00 0.00 0.00 0.00 35.03 34.86 2bn0 n LYS 98 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2bn0 s LYS 99 N -1.60 1.36 0.05 1.64 2.20 -1.14 -5.18 119.74 117.07 2bn0 s LYS 99 Ca 0.00 -1.43 0.09 0.00 -0.36 0.00 0.00 55.97 54.27 2bn0 s LYS 99 Cb 0.00 0.37 -0.03 0.00 -1.51 0.00 0.00 37.83 36.66 2bn0 s LYS 99 CO 0.00 -0.51 -0.24 0.00 -0.36 0.00 0.00 175.35 174.24 2bn0 s ALA 100 N -4.08 2.34 -0.00 3.13 0.00 -1.26 0.37 121.76 122.26 2bn0 s ALA 100 Ca 0.30 -1.26 0.06 0.00 0.00 0.00 0.00 51.96 51.05 2bn0 s ALA 100 Cb 0.03 -0.53 -0.02 0.00 0.00 0.00 0.00 23.12 22.60 2bn0 s ALA 100 CO 0.10 0.54 -0.18 0.71 0.00 0.00 0.00 175.76 176.93 2bn0 s TYR 101 N -0.85 1.62 0.00 0.00 1.51 0.23 -4.99 117.35 114.87 2bn0 s TYR 101 Ca 0.13 -0.32 0.00 0.00 -1.01 0.00 0.00 57.07 55.87 2bn0 s TYR 101 Cb -0.10 -1.03 0.00 0.00 -0.11 0.00 0.00 41.96 40.72 2bn0 s TYR 101 CO 0.03 -0.01 0.00 0.41 -1.11 0.00 0.00 175.55 174.87 2bn0 n GLY 102 N 2.51 -0.06 3.74 0.71 0.00 -1.26 -1.95 105.19 108.87 2bn0 n GLY 102 Ca -0.15 -0.98 -0.32 0.00 0.00 0.00 0.00 46.02 44.56 2bn0 n GLY 102 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2bn0 s PRO 103 N 0.00 2.11 -0.20 1.61 0.04 -1.26 -4.96 135.00 132.34 2bn0 s PRO 103 Ca 0.00 1.46 -0.03 0.00 0.04 0.00 0.00 61.00 62.48 2bn0 s PRO 103 Cb 0.00 -1.86 -0.01 0.00 0.04 0.00 0.00 34.50 32.67 2bn0 s PRO 103 CO 0.00 -1.80 -0.07 -0.06 0.04 0.00 0.00 177.00 175.11 2bn0 s PHE 104 N -2.46 2.92 0.00 0.56 0.40 0.17 -4.84 117.98 114.74 2bn0 s PHE 104 Ca 0.67 -0.88 0.00 0.00 -0.60 0.00 0.00 56.93 56.13 2bn0 s PHE 104 Cb -0.22 -2.03 0.00 0.00 0.51 0.00 0.00 43.02 41.27 2bn0 s PHE 104 CO 0.50 -0.46 0.00 0.41 0.70 0.00 0.00 175.22 176.36 2bn0 n GLY 105 N 4.45 4.02 0.00 4.36 0.00 -1.26 -1.80 105.19 114.96 2bn0 n GLY 105 Ca -0.18 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.22 2bn0 n GLY 105 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2bn0 n ASN 106 N 0.00 1.16 -4.49 1.61 3.02 -0.33 -4.76 115.26 111.46 2bn0 n ASN 106 Ca 0.00 -1.39 -0.42 0.00 -0.03 0.00 0.00 54.58 52.75 2bn0 n ASN 106 Cb 0.00 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.07 2bn0 n ASN 106 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2bn0 s THR 107 N -0.39 5.25 0.65 3.41 2.01 0.94 -4.99 115.64 122.53 2bn0 s THR 107 Ca 0.00 -0.44 -0.13 0.00 0.31 0.00 0.00 61.69 61.43 2bn0 s THR 107 Cb 0.00 -3.81 -0.01 0.00 0.01 0.00 0.00 72.50 68.69 2bn0 s THR 107 CO 0.00 -0.15 1.06 -0.83 -0.69 0.00 0.00 174.62 174.01 2bn0 s GLY 108 N 1.70 1.90 0.00 4.40 0.00 -1.26 -3.93 107.32 110.12 2bn0 s GLY 108 Ca 0.05 0.25 0.00 0.00 0.00 0.00 0.00 44.72 45.03 2bn0 s GLY 108 CO 0.10 0.57 0.00 0.61 0.00 0.00 0.00 173.10 174.38 2bn0 n GLY 109 N -1.44 1.11 3.68 0.20 0.00 -1.26 -4.66 105.19 102.81 2bn0 n GLY 109 Ca 0.08 -0.82 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 2bn0 n GLY 109 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2bn0 s THR 110 N -2.36 3.48 0.70 2.61 -1.32 -1.01 -4.69 115.64 113.04 2bn0 s THR 110 Ca 0.00 0.76 -0.11 0.00 -1.21 0.00 0.00 61.69 61.13 2bn0 s THR 110 Cb 0.00 -3.49 0.01 0.00 -1.51 0.00 0.00 72.50 67.51 2bn0 s THR 110 CO 0.00 -0.03 1.07 -2.16 -2.21 0.00 0.00 174.62 171.29 2bn0 s PRO 111 N 3.22 2.95 0.00 7.08 0.04 -1.26 -1.36 135.00 145.67 2bn0 s PRO 111 Ca 0.71 0.66 -0.22 0.00 0.04 0.00 0.00 61.00 62.19 2bn0 s PRO 111 Cb -0.34 -2.01 0.04 0.00 0.04 0.00 0.00 34.50 32.23 2bn0 s PRO 111 CO 0.29 -1.01 0.48 -0.59 0.04 0.00 0.00 177.00 176.21 2bn0 s PHE 112 N -3.22 -0.38 -0.06 0.56 -0.12 -1.11 -4.92 117.98 108.73 2bn0 s PHE 112 Ca 0.58 0.53 -0.13 0.00 -0.05 0.00 0.00 56.93 57.86 2bn0 s PHE 112 Cb -0.12 0.26 0.02 0.00 -0.63 0.00 0.00 43.02 42.56 2bn0 s PHE 112 CO 0.53 -0.55 0.30 -1.54 -0.05 0.00 0.00 175.22 173.91 2bn0 s SER 113 N -1.60 -0.23 -0.45 1.98 1.04 -1.26 -2.39 113.70 110.79 2bn0 s SER 113 Ca -0.09 0.29 0.08 0.00 0.48 0.00 0.00 55.95 56.71 2bn0 s SER 113 Cb -0.02 0.44 0.26 0.00 0.10 0.00 0.00 66.02 66.81 2bn0 s SER 113 CO 0.03 -0.30 0.61 -0.11 0.98 0.00 0.00 173.24 174.45 2bn0 n LEU 114 N 1.96 1.21 -4.69 2.42 7.94 0.11 -4.98 117.00 120.97 2bn0 n LEU 114 Ca -0.18 -4.93 -0.42 0.00 -1.11 0.00 0.00 56.01 49.36 2bn0 n LEU 114 Cb 0.57 0.31 -0.03 0.00 0.53 0.00 0.00 43.42 44.80 2bn0 n LEU 114 CO 0.19 2.10 1.11 -2.16 -1.11 0.00 0.00 177.39 177.52 2bn0 s PRO 115 N -1.69 4.29 -0.49 1.96 0.04 -1.26 -3.00 135.00 134.84 2bn0 s PRO 115 Ca 0.37 1.93 -0.16 0.00 0.04 0.00 0.00 61.00 63.19 2bn0 s PRO 115 Cb 0.19 -3.58 0.08 0.00 0.04 0.00 0.00 34.50 31.23 2bn0 s PRO 115 CO -0.09 -0.57 0.43 0.42 0.04 0.00 0.00 177.00 177.24 2bn0 s ILE 116 N 2.44 5.20 0.29 0.56 1.01 -0.50 -4.91 121.20 125.29 2bn0 s ILE 116 Ca 0.63 -1.11 0.07 0.00 0.00 0.00 0.00 60.65 60.24 2bn0 s ILE 116 Cb -0.30 -4.18 0.03 0.00 0.01 0.00 0.00 42.46 38.01 2bn0 s ILE 116 CO 0.26 -0.65 1.69 0.00 0.00 0.00 0.00 174.94 176.23 2bn0 h ALA 117 N 8.80 1.10 -2.50 9.38 0.00 -1.94 -3.42 119.26 130.68 2bn0 h ALA 117 Ca -0.29 -0.43 -0.16 0.00 0.00 0.00 0.00 54.91 54.03 2bn0 h ALA 117 Cb 1.11 -0.09 -0.30 0.00 0.00 0.00 0.00 17.79 18.51 2bn0 h ALA 117 CO 0.92 0.61 -0.46 0.00 0.00 0.00 0.00 179.25 180.31 2bn0 s ALA 118 N -4.05 -0.88 0.00 0.00 0.00 -1.26 -5.12 121.76 110.45 2bn0 s ALA 118 Ca -0.04 1.11 0.00 0.00 0.00 0.00 0.00 51.96 53.03 2bn0 s ALA 118 Cb 0.13 -1.29 0.00 0.00 0.00 0.00 0.00 23.12 21.96 2bn0 s ALA 118 CO 0.77 -0.85 0.00 0.41 0.00 0.00 0.00 175.76 176.09 2bn0 n GLY 119 N 5.37 0.52 3.61 0.00 0.00 -1.25 -4.89 105.19 108.55 2bn0 n GLY 119 Ca -0.06 -2.15 -0.10 0.00 0.00 0.00 0.00 46.02 43.71 2bn0 n GLY 119 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bn0 s LYS 120 N -0.79 1.50 0.14 1.61 -2.85 0.11 -4.79 119.74 114.67 2bn0 s LYS 120 Ca 0.00 -0.76 -0.25 0.00 -1.00 0.00 0.00 55.97 53.96 2bn0 s LYS 120 Cb 0.00 0.58 -0.07 0.00 -2.06 0.00 0.00 37.83 36.28 2bn0 s LYS 120 CO 0.00 -0.66 0.76 0.42 0.10 0.00 0.00 175.35 175.96 2bn0 s ILE 121 N -3.84 4.45 0.00 3.79 1.01 0.69 -2.07 121.20 125.23 2bn0 s ILE 121 Ca 0.07 1.65 0.00 0.00 0.00 0.00 0.00 60.65 62.37 2bn0 s ILE 121 Cb -0.03 -4.12 0.00 0.00 0.01 0.00 0.00 42.46 38.33 2bn0 s ILE 121 CO -0.03 0.50 0.00 -1.54 0.00 0.00 0.00 174.94 173.87 2bn0 n SER 122 N 1.80 0.61 -3.46 3.58 3.41 0.20 -4.57 113.62 115.19 2bn0 n SER 122 Ca -0.06 -0.36 -0.04 0.00 -0.26 0.00 0.00 58.87 58.16 2bn0 n SER 122 Cb 0.49 0.84 0.01 0.00 -0.26 0.00 0.00 64.21 65.29 2bn0 n SER 122 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2bn0 s GLY 123 N -0.97 0.01 0.16 5.00 0.00 -1.23 -1.00 107.32 109.29 2bn0 s GLY 123 Ca 0.00 -0.20 0.05 0.00 0.00 0.00 0.00 44.72 44.56 2bn0 s GLY 123 CO 0.00 1.28 -0.10 -1.36 0.00 0.00 0.00 173.10 172.92 2bn0 s PHE 124 N -2.58 1.33 0.15 1.90 0.08 -1.26 -1.24 117.98 116.36 2bn0 s PHE 124 Ca 0.18 -0.75 -0.24 0.00 0.12 0.00 0.00 56.93 56.23 2bn0 s PHE 124 Cb -0.02 -0.68 0.06 0.00 -0.57 0.00 0.00 43.02 41.81 2bn0 s PHE 124 CO 0.05 0.10 0.82 -0.59 -0.10 0.00 0.00 175.22 175.50 2bn0 s PHE 125 N -3.30 -0.27 -5.00 0.36 -0.12 -1.02 0.24 117.98 108.88 2bn0 s PHE 125 Ca 0.18 -0.02 0.00 0.00 -0.05 0.00 0.00 56.93 57.04 2bn0 s PHE 125 Cb 0.02 0.62 0.00 0.00 -0.63 0.00 0.00 43.02 43.04 2bn0 s PHE 125 CO 0.02 -0.87 0.00 0.41 -0.05 0.00 0.00 175.22 174.72 2bn0 n GLY 126 N -0.40 -0.34 3.10 1.99 0.00 0.17 0.67 105.19 110.39 2bn0 n GLY 126 Ca -0.08 -0.97 -0.25 0.00 0.00 0.00 0.00 46.02 44.72 2bn0 n GLY 126 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bn0 s ARG 127 N -2.00 1.61 0.18 1.61 0.52 -0.57 0.17 118.95 120.47 2bn0 s ARG 127 Ca 0.00 -0.54 0.08 0.00 -0.52 0.00 0.00 55.73 54.75 2bn0 s ARG 127 Cb 0.00 -1.41 -0.04 0.00 0.52 0.00 0.00 34.95 34.02 2bn0 s ARG 127 CO 0.00 0.21 -0.16 0.20 0.02 0.00 0.00 175.30 175.57 2bn0 s GLY 128 N 0.09 1.39 0.00 -3.53 0.00 0.46 -2.28 107.32 103.46 2bn0 s GLY 128 Ca -0.04 -1.57 0.00 0.00 0.00 0.00 0.00 44.72 43.11 2bn0 s GLY 128 CO 0.02 -1.64 0.00 0.61 0.00 0.00 0.00 173.10 172.09 2bn0 n GLY 129 N -0.05 3.46 0.22 0.20 0.00 -1.26 0.82 105.19 108.58 2bn0 n GLY 129 Ca -0.11 -0.12 0.15 0.00 0.00 0.00 0.00 46.02 45.94 2bn0 n GLY 129 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2bn0 h LYS 130 N 0.00 0.00 0.00 1.61 3.64 -1.92 -3.06 116.57 116.84 2bn0 h LYS 130 Ca 0.00 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.16 2bn0 h LYS 130 Cb 0.00 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.76 2bn0 h LYS 130 CO 0.00 0.00 -0.20 1.19 -2.27 0.00 0.00 179.45 178.17 2bn0 n PHE 131 N -2.79 -0.47 -2.96 1.91 3.01 -1.26 -3.83 117.46 111.07 2bn0 n PHE 131 Ca 0.02 -1.33 -0.44 0.00 1.01 0.00 0.00 57.45 56.71 2bn0 n PHE 131 Cb 0.33 0.16 -0.02 0.00 -0.01 0.00 0.00 39.48 39.94 2bn0 n PHE 131 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 2bn0 s LEU 132 N 0.00 5.15 0.15 4.37 2.96 -0.55 -4.07 118.68 126.69 2bn0 s LEU 132 Ca 0.19 -2.35 -0.17 0.00 -0.22 0.00 0.00 54.13 51.57 2bn0 s LEU 132 Cb 0.01 -2.39 0.03 0.00 0.50 0.00 0.00 46.19 44.34 2bn0 s LEU 132 CO 0.13 -0.94 1.74 0.44 -1.32 0.00 0.00 176.35 176.40 2bn0 h ASP 133 N 8.31 0.05 -5.03 3.68 3.45 -1.75 -1.33 116.42 123.80 2bn0 h ASP 133 Ca 0.20 0.04 -0.08 0.00 0.43 0.00 0.00 57.03 57.62 2bn0 h ASP 133 Cb 0.98 0.05 -0.17 0.00 -0.56 0.00 0.00 39.33 39.63 2bn0 h ASP 133 CO 1.12 0.06 -0.10 0.00 -1.57 0.00 0.00 179.24 178.76 2bn0 s ALA 134 N -6.17 -1.04 -0.02 3.45 0.00 -0.96 -1.02 121.76 115.98 2bn0 s ALA 134 Ca -0.13 0.39 -0.05 0.00 0.00 0.00 0.00 51.96 52.17 2bn0 s ALA 134 Cb 0.11 0.29 0.01 0.00 0.00 0.00 0.00 23.12 23.53 2bn0 s ALA 134 CO 0.70 -0.43 0.11 -1.50 0.00 0.00 0.00 175.76 174.65 2bn0 s ILE 135 N -2.24 0.04 0.29 0.00 2.07 -0.55 -1.52 121.20 119.29 2bn0 s ILE 135 Ca -0.07 -0.31 0.03 0.00 -1.41 0.00 0.00 60.65 58.89 2bn0 s ILE 135 Cb -0.01 -0.27 -0.04 0.00 0.13 0.00 0.00 42.46 42.27 2bn0 s ILE 135 CO -0.01 -0.17 0.18 -0.83 -1.91 0.00 0.00 174.94 172.20 2bn0 s GLY 136 N -0.55 2.01 0.13 1.50 0.00 0.21 -1.74 107.32 108.89 2bn0 s GLY 136 Ca -0.06 -1.80 0.02 0.00 0.00 0.00 0.00 44.72 42.87 2bn0 s GLY 136 CO 0.00 -1.53 -0.03 -1.34 0.00 0.00 0.00 173.10 170.19 2bn0 s VAL 137 N -3.67 0.65 -0.19 1.40 -7.23 -1.02 -2.42 120.40 107.93 2bn0 s VAL 137 Ca 0.37 -1.95 -0.08 0.00 -1.81 0.00 0.00 61.98 58.52 2bn0 s VAL 137 Cb 0.05 -1.86 -0.04 0.00 0.56 0.00 0.00 36.38 35.09 2bn0 s VAL 137 CO 0.19 -0.71 0.07 -0.31 -0.31 0.00 0.00 175.10 174.02 2bn0 s TYR 138 N -3.66 3.25 0.13 2.82 1.51 -0.38 -2.40 117.35 118.62 2bn0 s TYR 138 Ca 0.17 0.07 0.06 0.00 -1.01 0.00 0.00 57.07 56.36 2bn0 s TYR 138 Cb 0.06 -2.09 -0.04 0.00 -0.11 0.00 0.00 41.96 39.78 2bn0 s TYR 138 CO -0.01 0.14 -0.00 -0.51 -1.11 0.00 0.00 175.55 174.06 2bn0 s LEU 139 N 0.42 3.39 -0.07 -1.29 1.43 0.24 0.59 118.68 123.38 2bn0 s LEU 139 Ca 0.03 -0.27 -0.30 0.00 -1.03 0.00 0.00 54.13 52.56 2bn0 s LEU 139 Cb -0.12 -2.09 0.09 0.00 0.03 0.00 0.00 46.19 44.10 2bn0 s LEU 139 CO 0.00 0.14 0.81 -1.83 0.23 0.00 0.00 176.35 175.70 2bn0 s GLU 140 N -2.57 0.88 0.00 1.70 -1.05 -0.88 -4.10 118.70 112.68 2bn0 s GLU 140 Ca 0.26 0.11 0.00 0.00 -0.15 0.00 0.00 54.97 55.19 2bn0 s GLU 140 Cb -0.11 0.42 0.00 0.00 -0.44 0.00 0.00 34.13 34.00 2bn0 s GLU 140 CO 0.18 -0.30 0.11 -2.30 0.95 0.00 0.00 175.26 173.90