#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b86 s THR 2 N 0.00 3.81 -0.18 1.12 -4.23 -1.26 -5.04 115.64 109.86 2b86 s THR 2 Ca 0.00 1.18 -0.08 0.00 -1.18 0.00 0.00 61.69 61.61 2b86 s THR 2 Cb 0.00 -3.51 -0.04 0.00 1.34 0.00 0.00 72.50 70.29 2b86 s THR 2 CO 0.00 -0.19 0.09 -1.61 -0.54 0.00 0.00 174.62 172.37 2b86 s GLU 3 N -3.06 3.97 0.26 3.99 2.02 -1.26 -5.08 118.70 119.53 2b86 s GLU 3 Ca 0.65 -0.28 -0.30 0.00 0.02 0.00 0.00 54.97 55.06 2b86 s GLU 3 Cb -0.17 -3.27 -0.09 0.00 0.10 0.00 0.00 34.13 30.70 2b86 s GLU 3 CO 0.21 0.35 1.08 -2.00 0.02 0.00 0.00 175.26 174.92 2b86 s GLU 4 N 0.19 4.66 -0.12 1.61 2.12 -1.26 -4.98 118.70 120.91 2b86 s GLU 4 Ca 0.06 1.75 0.02 0.00 0.36 0.00 0.00 54.97 57.16 2b86 s GLU 4 Cb -0.12 -3.22 -0.01 0.00 0.26 0.00 0.00 34.13 31.05 2b86 s GLU 4 CO -0.00 0.23 -0.18 0.08 -0.54 0.00 0.00 175.26 174.84 2b86 s VAL 5 N -1.01 2.56 -0.16 3.70 1.01 -1.02 -5.04 120.40 120.43 2b86 s VAL 5 Ca 0.45 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.60 2b86 s VAL 5 Cb -0.31 -2.04 0.01 0.00 0.00 0.00 0.00 36.38 34.04 2b86 s VAL 5 CO 0.39 0.54 -0.17 -0.63 0.00 0.00 0.00 175.10 175.23 2b86 s ILE 6 N 0.41 2.46 0.11 2.22 1.01 -1.26 0.10 121.20 126.25 2b86 s ILE 6 Ca -0.14 -0.83 0.03 0.00 0.00 0.00 0.00 60.65 59.71 2b86 s ILE 6 Cb -0.17 -2.04 -0.04 0.00 0.01 0.00 0.00 42.46 40.22 2b86 s ILE 6 CO 0.06 0.52 -0.08 0.68 0.00 0.00 0.00 174.94 176.12 2b86 s VAL 7 N 0.99 0.85 -0.14 2.92 -7.23 -0.77 -4.12 120.40 112.91 2b86 s VAL 7 Ca -0.02 -1.95 0.01 0.00 -1.81 0.00 0.00 61.98 58.22 2b86 s VAL 7 Cb -0.15 -1.70 -0.00 0.00 0.56 0.00 0.00 36.38 35.09 2b86 s VAL 7 CO -0.04 -0.81 -0.17 -0.63 -0.31 0.00 0.00 175.10 173.14 2b86 s ILE 8 N -3.44 2.53 0.48 -0.62 1.01 -0.96 -1.77 121.20 118.44 2b86 s ILE 8 Ca 0.13 -0.83 -0.21 0.00 0.00 0.00 0.00 60.65 59.74 2b86 s ILE 8 Cb 0.04 -2.04 -0.08 0.00 0.01 0.00 0.00 42.46 40.39 2b86 s ILE 8 CO -0.03 0.53 1.07 0.00 0.00 0.00 0.00 174.94 176.52 2b86 s ALA 9 N 0.63 2.90 -0.11 9.38 0.00 -0.35 -3.18 121.76 131.03 2b86 s ALA 9 Ca -0.09 0.71 0.07 0.00 0.00 0.00 0.00 51.96 52.64 2b86 s ALA 9 Cb -0.16 -3.29 -0.09 0.00 0.00 0.00 0.00 23.12 19.57 2b86 s ALA 9 CO 0.03 -0.42 0.19 1.63 0.00 0.00 0.00 175.76 177.19 2b86 n LYS 10 N -0.78 1.84 -3.85 0.00 5.02 -0.60 -3.84 118.16 115.95 2b86 n LYS 10 Ca 0.09 -0.04 -0.12 0.00 -2.02 0.00 0.00 58.31 56.22 2b86 n LYS 10 Cb 0.51 -1.04 -0.10 0.00 -0.02 0.00 0.00 35.03 34.38 2b86 n LYS 10 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 2b86 s TRP 11 N -2.17 -0.02 0.05 2.13 0.51 -0.98 -4.66 118.94 113.81 2b86 s TRP 11 Ca -0.01 -0.00 -0.31 0.00 -2.12 0.00 0.00 56.10 53.67 2b86 s TRP 11 Cb 0.05 -0.02 -0.07 0.00 -0.81 0.00 0.00 33.47 32.62 2b86 s TRP 11 CO 0.28 -0.27 1.47 0.34 -0.51 0.00 0.00 176.95 178.26 2b86 s ASP 12 N -1.15 6.77 -0.04 2.95 -1.08 -1.25 -4.08 116.67 118.80 2b86 s ASP 12 Ca -0.12 2.28 0.04 0.00 -0.52 0.00 0.00 52.55 54.23 2b86 s ASP 12 Cb -0.06 -2.57 -0.00 0.00 -1.46 0.00 0.00 42.92 38.82 2b86 s ASP 12 CO 0.02 -0.75 -0.16 -0.47 0.52 0.00 0.00 175.17 174.33 2b86 s TYR 13 N 2.09 1.55 -0.25 -5.34 6.14 -0.87 -4.89 117.35 115.79 2b86 s TYR 13 Ca 0.67 -0.42 -0.08 0.00 0.64 0.00 0.00 57.07 57.88 2b86 s TYR 13 Cb -0.35 -1.05 -0.03 0.00 0.42 0.00 0.00 41.96 40.95 2b86 s TYR 13 CO 0.29 -0.14 0.08 0.99 0.64 0.00 0.00 175.55 177.41 2b86 s THR 14 N 0.03 4.42 0.41 4.34 2.01 -1.26 -1.14 115.64 124.45 2b86 s THR 14 Ca -0.03 -0.14 -0.25 0.00 0.31 0.00 0.00 61.69 61.59 2b86 s THR 14 Cb -0.11 -3.06 -0.11 0.00 0.01 0.00 0.00 72.50 69.23 2b86 s THR 14 CO 0.02 0.34 1.03 0.00 -0.69 0.00 0.00 174.62 175.32 2b86 n ALA 15 N 4.83 0.25 -2.42 7.40 0.00 -1.26 -4.94 120.51 124.37 2b86 n ALA 15 Ca -0.16 0.24 -0.13 0.00 0.00 0.00 0.00 53.44 53.39 2b86 n ALA 15 Cb 0.52 -2.09 0.03 0.00 0.00 0.00 0.00 19.45 17.91 2b86 n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2b86 n GLN 16 N 0.17 2.70 -4.36 0.00 10.64 -1.26 -4.99 117.38 120.28 2b86 n GLN 16 Ca 0.09 -3.86 -0.20 0.00 -1.83 0.00 0.00 57.00 51.20 2b86 n GLN 16 Cb 0.39 -1.95 -0.09 0.00 -0.86 0.00 0.00 30.24 27.73 2b86 n GLN 16 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.06 174.58 2b86 s GLN 17 N -3.68 1.71 0.06 2.61 -1.52 -1.26 -5.08 119.66 112.50 2b86 s GLN 17 Ca 0.40 -2.00 -0.12 0.00 -1.95 0.00 0.00 55.36 51.69 2b86 s GLN 17 Cb 0.37 -0.11 -0.28 0.00 -0.22 0.00 0.00 33.01 32.78 2b86 s GLN 17 CO -0.00 -0.51 1.12 -0.44 -0.25 0.00 0.00 175.29 175.21 2b86 h ASP 18 N 2.10 0.77 -2.79 5.90 3.32 -1.97 -3.39 116.42 120.36 2b86 h ASP 18 Ca -0.32 -0.73 -0.61 0.00 0.02 0.00 0.00 57.03 55.39 2b86 h ASP 18 Cb 1.25 -0.24 -0.41 0.00 0.22 0.00 0.00 39.33 40.14 2b86 h ASP 18 CO 0.49 1.55 -0.64 0.00 -1.72 0.00 0.00 179.24 178.92 2b86 n GLN 19 N -3.74 1.76 -4.18 3.56 6.02 -1.26 -5.06 117.38 114.48 2b86 n GLN 19 Ca -0.13 -4.34 -0.19 0.00 -0.01 0.00 0.00 57.00 52.33 2b86 n GLN 19 Cb 0.99 -2.18 -0.07 0.00 1.02 0.00 0.00 30.24 30.00 2b86 n GLN 19 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 2b86 n GLU 20 N 1.81 0.42 -4.06 -1.09 -0.00 -1.26 0.34 120.64 116.79 2b86 n GLU 20 Ca 0.23 -3.23 -0.16 0.00 -0.00 0.00 0.00 57.16 54.00 2b86 n GLU 20 Cb 0.38 2.55 -0.15 0.00 -0.00 0.00 0.00 31.44 34.23 2b86 n GLU 20 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 2b86 s LEU 21 N 0.00 1.80 0.43 -1.84 1.02 -1.26 -4.73 118.68 114.10 2b86 s LEU 21 Ca 0.36 -0.06 -0.21 0.00 0.02 0.00 0.00 54.13 54.24 2b86 s LEU 21 Cb 0.02 -0.22 -0.11 0.00 0.02 0.00 0.00 46.19 45.90 2b86 s LEU 21 CO 0.26 0.01 0.94 1.51 0.02 0.00 0.00 176.35 179.09 2b86 s ASP 22 N 0.19 6.93 0.23 2.29 3.84 -1.26 -4.37 116.67 124.52 2b86 s ASP 22 Ca -0.02 1.68 0.05 0.00 -0.00 0.00 0.00 52.55 54.26 2b86 s ASP 22 Cb -0.05 -2.53 -0.05 0.00 -1.38 0.00 0.00 42.92 38.91 2b86 s ASP 22 CO -0.00 -0.36 -0.04 0.27 -0.00 0.00 0.00 175.17 175.03 2b86 s ILE 23 N -2.18 1.26 0.42 2.11 -4.36 -0.29 -4.96 121.20 113.20 2b86 s ILE 23 Ca 0.62 -2.07 0.03 0.00 -0.26 0.00 0.00 60.65 58.96 2b86 s ILE 23 Cb -0.09 -2.28 0.03 0.00 1.25 0.00 0.00 42.46 41.37 2b86 s ILE 23 CO 0.13 -0.40 0.22 0.29 0.24 0.00 0.00 174.94 175.43 2b86 n LYS 24 N -0.43 0.91 0.14 0.37 5.02 -1.26 -2.05 118.16 120.86 2b86 n LYS 24 Ca -0.06 -2.76 -0.14 0.00 -2.02 0.00 0.00 58.31 53.33 2b86 n LYS 24 Cb 0.63 0.44 -0.08 0.00 -0.02 0.00 0.00 35.03 36.00 2b86 n LYS 24 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2b86 h LYS 25 N 0.00 -0.28 -0.00 1.97 3.64 -1.86 -3.32 116.57 116.72 2b86 h LYS 25 Ca -0.29 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 2b86 h LYS 25 Cb 1.00 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 2b86 h LYS 25 CO 0.47 -0.13 -0.56 -1.71 -2.27 0.00 0.00 179.45 175.25 2b86 n ASN 26 N -5.18 1.06 -4.63 4.20 5.15 -1.25 -1.56 115.26 113.06 2b86 n ASN 26 Ca -0.09 -1.03 -0.40 0.00 -0.60 0.00 0.00 54.58 52.46 2b86 n ASN 26 Cb 0.16 0.79 0.03 0.00 -0.53 0.00 0.00 39.78 40.23 2b86 n ASN 26 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 2b86 n GLU 27 N -0.87 1.26 -4.05 1.20 2.13 -1.25 -4.48 120.64 114.59 2b86 n GLU 27 Ca 0.04 0.46 -0.35 0.00 0.66 0.00 0.00 57.16 57.98 2b86 n GLU 27 Cb 0.27 -2.17 -0.12 0.00 0.27 0.00 0.00 31.44 29.69 2b86 n GLU 27 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2b86 s ARG 28 N -2.40 3.69 0.21 5.31 0.52 -1.26 -1.21 118.95 123.82 2b86 s ARG 28 Ca 0.68 -0.48 0.10 0.00 -0.52 0.00 0.00 55.73 55.51 2b86 s ARG 28 Cb -0.48 -3.12 -0.04 0.00 0.52 0.00 0.00 34.95 31.82 2b86 s ARG 28 CO 0.53 0.05 -0.13 -0.51 0.02 0.00 0.00 175.30 175.26 2b86 s LEU 29 N 0.91 2.83 -0.41 2.53 2.01 -0.73 -4.94 118.68 120.88 2b86 s LEU 29 Ca 0.02 -0.72 -0.11 0.00 0.01 0.00 0.00 54.13 53.32 2b86 s LEU 29 Cb -0.14 -1.47 0.06 0.00 0.01 0.00 0.00 46.19 44.65 2b86 s LEU 29 CO 0.02 0.08 0.27 0.26 1.01 0.00 0.00 176.35 177.99 2b86 s TRP 30 N -1.94 3.29 0.40 0.29 0.51 -1.10 -1.84 118.94 118.56 2b86 s TRP 30 Ca 0.26 -1.23 -0.26 0.00 -2.12 0.00 0.00 56.10 52.75 2b86 s TRP 30 Cb -0.08 -2.83 -0.08 0.00 -0.81 0.00 0.00 33.47 29.67 2b86 s TRP 30 CO 0.15 -0.77 1.22 -0.51 -0.51 0.00 0.00 176.95 176.53 2b86 s LEU 31 N 1.51 4.21 -0.09 2.99 1.43 0.29 -1.23 118.68 127.79 2b86 s LEU 31 Ca 0.03 2.47 0.03 0.00 -1.03 0.00 0.00 54.13 55.63 2b86 s LEU 31 Cb -0.22 -3.97 -0.08 0.00 0.03 0.00 0.00 46.19 41.96 2b86 s LEU 31 CO 0.04 -0.75 -0.04 0.18 0.23 0.00 0.00 176.35 176.02 2b86 n LEU 32 N 0.11 1.75 -3.45 1.79 7.99 0.80 -2.45 117.00 123.55 2b86 n LEU 32 Ca 0.04 -0.03 -0.02 0.00 -0.01 0.00 0.00 56.01 55.99 2b86 n LEU 32 Cb 0.45 -0.12 -0.05 0.00 -0.11 0.00 0.00 43.42 43.59 2b86 n LEU 32 CO 0.53 0.47 0.14 -0.62 -1.51 0.00 0.00 177.39 176.39 2b86 s ASP 33 N -4.53 -0.84 0.00 -1.43 3.68 -1.17 -4.90 116.67 107.49 2b86 s ASP 33 Ca -0.09 1.04 0.09 0.00 2.13 0.00 0.00 52.55 55.72 2b86 s ASP 33 Cb 0.03 1.90 0.16 0.00 -1.45 0.00 0.00 42.92 43.55 2b86 s ASP 33 CO 0.26 -0.25 0.98 -0.90 0.13 0.00 0.00 175.17 175.40 2b86 n ASP 34 N 5.42 2.23 -0.16 -0.34 3.85 -1.26 -2.42 116.55 123.87 2b86 n ASP 34 Ca -0.07 -1.66 -0.10 0.00 -0.71 0.00 0.00 54.79 52.26 2b86 n ASP 34 Cb 0.50 -0.09 0.03 0.00 -1.35 0.00 0.00 41.12 40.22 2b86 n ASP 34 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.20 176.47 2b86 h SER 35 N 1.83 0.97 -4.21 -1.12 0.02 -1.96 -3.45 113.55 105.64 2b86 h SER 35 Ca 0.00 -0.34 -0.50 0.00 -0.84 0.00 0.00 61.79 60.11 2b86 h SER 35 Cb 0.53 -0.27 0.05 0.00 0.14 0.00 0.00 62.40 62.86 2b86 h SER 35 CO 0.00 1.11 0.36 -0.54 -1.14 0.00 0.00 176.83 176.63 2b86 s LYS 36 N -4.76 3.61 0.39 3.45 -0.14 -1.26 -4.95 119.74 116.08 2b86 s LYS 36 Ca -0.11 0.67 0.09 0.00 -1.36 0.00 0.00 55.97 55.26 2b86 s LYS 36 Cb 0.13 -2.14 0.87 0.00 -1.68 0.00 0.00 37.83 35.01 2b86 s LYS 36 CO 0.86 -0.49 1.96 1.79 -0.76 0.00 0.00 175.35 178.72 2b86 h THR 37 N -0.14 0.96 -3.24 2.17 1.35 -1.97 -3.38 112.91 108.66 2b86 h THR 37 Ca -0.45 -0.21 -0.59 0.00 -0.55 0.00 0.00 66.41 64.61 2b86 h THR 37 Cb 1.19 0.30 -0.10 0.00 -1.73 0.00 0.00 68.15 67.81 2b86 h THR 37 CO 0.62 0.11 -0.33 0.26 -0.25 0.00 0.00 175.52 175.93 2b86 s TRP 38 N -5.56 3.48 -0.14 4.73 0.52 -1.26 -4.58 118.94 116.14 2b86 s TRP 38 Ca -0.09 0.61 -0.05 0.00 0.02 0.00 0.00 56.10 56.59 2b86 s TRP 38 Cb 0.20 -2.32 -0.04 0.00 -1.15 0.00 0.00 33.47 30.16 2b86 s TRP 38 CO 0.76 0.29 0.06 -1.58 0.02 0.00 0.00 176.95 176.50 2b86 s TRP 39 N 0.30 3.29 -0.14 -1.98 0.52 -1.22 -4.84 118.94 114.86 2b86 s TRP 39 Ca 0.17 0.20 -0.15 0.00 0.02 0.00 0.00 56.10 56.34 2b86 s TRP 39 Cb -0.13 -1.95 -0.04 0.00 -1.15 0.00 0.00 33.47 30.19 2b86 s TRP 39 CO 0.04 0.38 0.36 0.50 0.02 0.00 0.00 176.95 178.25 2b86 s ARG 40 N -0.35 4.28 0.07 4.98 3.52 -1.02 0.52 118.95 130.95 2b86 s ARG 40 Ca 0.09 0.22 0.01 0.00 -0.13 0.00 0.00 55.73 55.92 2b86 s ARG 40 Cb -0.12 -3.42 -0.04 0.00 -1.56 0.00 0.00 34.95 29.81 2b86 s ARG 40 CO 0.02 0.22 -0.06 0.54 -0.81 0.00 0.00 175.30 175.21 2b86 s VAL 41 N 0.49 0.52 0.00 7.11 0.11 -0.39 -0.14 120.40 128.11 2b86 s VAL 41 Ca 0.20 -1.67 0.08 0.00 -2.93 0.00 0.00 61.98 57.66 2b86 s VAL 41 Cb -0.14 -1.33 -0.02 0.00 -1.53 0.00 0.00 36.38 33.36 2b86 s VAL 41 CO 0.06 -0.78 -0.25 -0.60 -3.33 0.00 0.00 175.10 170.20 2b86 s ARG 42 N -3.24 1.94 0.31 1.54 3.52 -0.36 -2.07 118.95 120.60 2b86 s ARG 42 Ca 0.04 -0.97 0.09 0.00 -0.13 0.00 0.00 55.73 54.76 2b86 s ARG 42 Cb 0.02 -1.96 -0.05 0.00 -1.56 0.00 0.00 34.95 31.40 2b86 s ARG 42 CO -0.05 0.53 0.06 1.21 -0.81 0.00 0.00 175.30 176.24 2b86 s ASN 43 N -0.82 4.51 0.60 -2.12 2.47 -0.40 -2.70 114.94 116.48 2b86 s ASN 43 Ca 0.10 -0.78 0.30 0.00 0.42 0.00 0.00 52.86 52.90 2b86 s ASN 43 Cb -0.10 -0.72 1.61 0.00 -1.45 0.00 0.00 41.25 40.59 2b86 s ASN 43 CO 0.00 -0.17 1.89 0.00 -3.72 0.00 0.00 177.10 175.10 2b86 h ALA 44 N 1.73 1.24 0.00 1.71 0.00 -1.92 0.54 119.26 122.57 2b86 h ALA 44 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2b86 h ALA 44 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2b86 h ALA 44 CO 0.63 -0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.64 2b86 n ALA 45 N -1.87 2.54 -1.95 0.00 0.00 -1.26 -4.85 120.51 113.12 2b86 n ALA 45 Ca -0.02 -0.07 -0.15 0.00 0.00 0.00 0.00 53.44 53.20 2b86 n ALA 45 Cb 0.30 -1.18 -0.03 0.00 0.00 0.00 0.00 19.45 18.54 2b86 n ALA 45 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2b86 n ASN 46 N -0.68 -4.58 -4.55 0.00 3.02 0.18 -5.00 115.26 103.65 2b86 n ASN 46 Ca 0.08 0.13 -0.32 0.00 -0.03 0.00 0.00 54.58 54.45 2b86 n ASN 46 Cb 0.04 -3.59 -0.11 0.00 -0.61 0.00 0.00 39.78 35.51 2b86 n ASN 46 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 2b86 s ARG 47 N -4.15 2.47 0.16 3.52 3.52 -1.24 -4.96 118.95 118.26 2b86 s ARG 47 Ca 0.00 -0.76 0.03 0.00 -0.13 0.00 0.00 55.73 54.88 2b86 s ARG 47 Cb 0.00 -2.43 -0.05 0.00 -1.56 0.00 0.00 34.95 30.91 2b86 s ARG 47 CO 0.00 0.60 -0.06 0.95 -0.81 0.00 0.00 175.30 175.97 2b86 s THR 48 N -0.93 0.99 -0.03 4.11 -4.23 -1.26 -1.27 115.64 113.01 2b86 s THR 48 Ca 0.16 -2.02 -0.19 0.00 -1.18 0.00 0.00 61.69 58.46 2b86 s THR 48 Cb -0.11 -1.94 0.06 0.00 1.34 0.00 0.00 72.50 71.85 2b86 s THR 48 CO 0.06 -0.66 0.83 0.61 -0.54 0.00 0.00 174.62 174.92 2b86 n GLY 49 N -0.21 0.31 3.30 3.99 0.00 -0.88 -4.50 105.19 107.20 2b86 n GLY 49 Ca -0.09 -0.96 -0.36 0.00 0.00 0.00 0.00 46.02 44.61 2b86 n GLY 49 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2b86 s TYR 50 N -2.29 3.12 -0.15 1.61 1.51 0.15 -1.26 117.35 120.05 2b86 s TYR 50 Ca 0.20 -1.16 -0.03 0.00 -1.01 0.00 0.00 57.07 55.06 2b86 s TYR 50 Cb -0.00 -2.18 0.05 0.00 -0.11 0.00 0.00 41.96 39.71 2b86 s TYR 50 CO -0.01 -0.62 0.06 0.14 -1.11 0.00 0.00 175.55 174.01 2b86 s VAL 51 N 1.44 0.14 -0.76 0.71 -7.23 0.18 -4.58 120.40 110.30 2b86 s VAL 51 Ca 0.02 -0.15 -0.06 0.00 -1.81 0.00 0.00 61.98 59.98 2b86 s VAL 51 Cb -0.17 -0.63 -0.12 0.00 0.56 0.00 0.00 36.38 36.02 2b86 s VAL 51 CO 0.00 -0.12 2.59 -2.65 -0.31 0.00 0.00 175.10 174.60 2b86 n PRO 52 N 5.20 2.28 -2.23 4.82 -0.02 -1.26 -3.46 135.00 140.33 2b86 n PRO 52 Ca -0.07 -1.38 -0.33 0.00 -2.02 0.00 0.00 63.50 59.70 2b86 n PRO 52 Cb 0.49 -2.33 -0.04 0.00 -0.02 0.00 0.00 33.50 31.60 2b86 n PRO 52 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2b86 s SER 53 N 2.67 5.61 0.29 2.55 0.01 -1.26 -4.72 113.70 118.85 2b86 s SER 53 Ca 0.51 -1.71 0.23 0.00 1.31 0.00 0.00 55.95 56.28 2b86 s SER 53 Cb 0.17 -2.58 1.09 0.00 0.21 0.00 0.00 66.02 64.91 2b86 s SER 53 CO -0.03 -2.44 1.69 0.59 0.41 0.00 0.00 173.24 173.46 2b86 n ASN 54 N 12.43 0.62 0.00 2.44 3.02 -1.26 -2.02 115.26 130.48 2b86 n ASN 54 Ca 0.44 0.72 0.08 0.00 -0.03 0.00 0.00 54.58 55.79 2b86 n ASN 54 Cb 0.47 -0.83 0.40 0.00 -0.61 0.00 0.00 39.78 39.21 2b86 n ASN 54 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2b86 n TYR 55 N -2.26 0.00 -4.31 3.10 4.01 -1.26 -4.73 117.16 111.71 2b86 n TYR 55 Ca 0.00 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.43 2b86 n TYR 55 Cb 0.13 -0.36 -0.09 0.00 -0.31 0.00 0.00 39.34 38.70 2b86 n TYR 55 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2b86 s VAL 56 N -2.72 3.81 0.12 -0.72 0.11 -0.86 -2.76 120.40 117.39 2b86 s VAL 56 Ca 0.13 -0.86 0.01 0.00 -2.93 0.00 0.00 61.98 58.33 2b86 s VAL 56 Cb 0.11 -2.72 -0.04 0.00 -1.53 0.00 0.00 36.38 32.19 2b86 s VAL 56 CO 0.27 0.28 -0.02 -1.61 -3.33 0.00 0.00 175.10 170.69 2b86 s GLU 57 N -1.78 0.92 0.33 1.54 2.02 -1.19 -4.97 118.70 115.57 2b86 s GLU 57 Ca 0.20 -1.41 -0.28 0.00 0.02 0.00 0.00 54.97 53.50 2b86 s GLU 57 Cb -0.11 -0.11 -0.10 0.00 0.10 0.00 0.00 34.13 33.91 2b86 s GLU 57 CO 0.12 -0.11 1.23 1.03 0.02 0.00 0.00 175.26 177.55 2b86 s ARG 58 N -3.91 4.35 0.00 1.61 0.52 -1.26 -2.26 118.95 118.01 2b86 s ARG 58 Ca 0.18 2.04 0.00 0.00 -0.52 0.00 0.00 55.73 57.42 2b86 s ARG 58 Cb 0.06 -3.01 0.00 0.00 0.52 0.00 0.00 34.95 32.52 2b86 s ARG 58 CO -0.01 -0.13 0.00 1.17 0.02 0.00 0.00 175.30 176.35