#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b12 h GLU -3 N 0.00 -0.04 -6.86 -0.78 4.22 -2.02 -3.42 114.58 105.68 2b12 h GLU -3 Ca 0.00 0.00 -0.49 0.00 0.08 0.00 0.00 59.36 58.95 2b12 h GLU -3 Cb 0.00 0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.27 2b12 h GLU -3 CO 0.00 0.18 0.44 0.12 -2.18 0.00 0.00 179.01 177.57 2b12 s PHE -2 N -5.32 3.50 0.00 0.92 5.36 -1.26 -5.07 117.98 116.11 2b12 s PHE -2 Ca -0.14 1.70 0.00 0.00 -0.96 0.00 0.00 56.93 57.53 2b12 s PHE -2 Cb 0.04 -3.19 0.00 0.00 -0.34 0.00 0.00 43.02 39.53 2b12 s PHE -2 CO 0.66 -0.47 0.00 1.63 -1.46 0.00 0.00 175.22 175.58 2b12 n LYS -1 N 0.74 0.00 -3.15 10.12 4.76 -1.26 -5.09 118.16 124.28 2b12 n LYS -1 Ca 0.01 0.00 0.05 0.00 -2.87 0.00 0.00 58.31 55.50 2b12 n LYS -1 Cb 0.47 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.65 2b12 n LYS -1 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2b12 s ALA 0 N -3.37 -3.39 0.98 7.82 0.00 -1.26 -4.87 121.76 117.66 2b12 s ALA 0 Ca 0.00 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.33 2b12 s ALA 0 Cb 0.00 -2.62 0.00 0.00 0.00 0.00 0.00 23.12 20.50 2b12 s ALA 0 CO 0.00 -1.78 0.00 0.41 0.00 0.00 0.00 175.76 174.39 2b12 n GLY 1 N 5.31 -1.00 3.70 0.00 0.00 -1.01 -4.98 105.19 107.21 2b12 n GLY 1 Ca 0.03 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 43.95 2b12 n GLY 1 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2b12 s SER 2 N -1.00 7.15 0.56 1.61 1.04 -1.26 -4.80 113.70 116.99 2b12 s SER 2 Ca 0.00 1.79 0.30 0.00 0.48 0.00 0.00 55.95 58.52 2b12 s SER 2 Cb 0.00 -2.56 1.65 0.00 0.10 0.00 0.00 66.02 65.21 2b12 s SER 2 CO 0.00 -0.48 2.15 0.00 0.98 0.00 0.00 173.24 175.90 2b12 h ALA 3 N 7.13 1.32 0.01 5.32 0.00 -1.88 -2.83 119.26 128.32 2b12 h ALA 3 Ca -0.36 -0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.29 2b12 h ALA 3 Cb 1.18 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 2b12 h ALA 3 CO 0.84 0.08 -0.92 1.57 0.00 0.00 0.00 179.25 180.82 2b12 h LYS 4 N 0.00 0.04 0.00 0.00 -0.00 -1.91 -2.98 116.57 111.72 2b12 h LYS 4 Ca -0.00 -0.06 -0.08 0.00 -0.00 0.00 0.00 60.65 60.51 2b12 h LYS 4 Cb 0.21 0.02 -0.01 0.00 -0.00 0.00 0.00 32.23 32.45 2b12 h LYS 4 CO 0.01 0.93 -0.36 -0.22 -0.00 0.00 0.00 179.45 179.81 2b12 h LYS 5 N 0.02 0.00 0.00 0.07 3.64 -1.84 -3.11 116.57 115.35 2b12 h LYS 5 Ca -0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2b12 h LYS 5 Cb 1.61 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.43 2b12 h LYS 5 CO 0.13 0.36 0.00 0.78 -2.27 0.00 0.00 179.45 178.45 2b12 h GLY 6 N 3.22 0.00 0.94 5.01 0.00 -1.48 -3.21 103.07 107.55 2b12 h GLY 6 Ca -0.00 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.13 2b12 h GLY 6 CO 0.05 0.00 -0.79 0.00 0.00 0.00 0.00 176.54 175.79 2b12 h ALA 7 N 2.09 0.08 0.00 3.60 0.00 -1.45 -3.12 119.26 120.46 2b12 h ALA 7 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.28 2b12 h ALA 7 Cb 0.82 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2b12 h ALA 7 CO 0.00 0.48 0.00 0.25 0.00 0.00 0.00 179.25 179.98 2b12 n THR 8 N -4.07 0.66 0.12 0.00 -2.24 -1.23 -1.55 114.28 105.96 2b12 n THR 8 Ca -0.11 0.03 -0.24 0.00 -2.27 0.00 0.00 64.05 61.47 2b12 n THR 8 Cb 0.77 -0.85 -0.15 0.00 -2.10 0.00 0.00 70.33 67.99 2b12 n THR 8 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2b12 h LEU 9 N 0.00 0.79 0.00 3.22 -0.00 -1.56 -3.12 115.31 114.64 2b12 h LEU 9 Ca 0.00 -0.91 -0.00 0.00 -0.00 0.00 0.00 57.88 56.97 2b12 h LEU 9 Cb 0.49 -0.26 0.00 0.00 -0.00 0.00 0.00 40.66 40.89 2b12 h LEU 9 CO 0.00 1.64 -0.00 0.15 -0.00 0.00 0.00 178.44 180.23 2b12 h PHE 10 N 0.07 -0.01 -0.98 1.13 3.04 -1.46 -0.17 116.94 118.56 2b12 h PHE 10 Ca -0.22 -0.00 0.29 0.00 3.98 0.00 0.00 57.97 62.01 2b12 h PHE 10 Cb 2.03 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 40.50 2b12 h PHE 10 CO 0.14 0.70 0.76 -0.22 -2.02 0.00 0.00 178.31 177.67 2b12 h LYS 11 N -0.72 0.00 0.00 1.11 3.64 -1.40 0.60 116.57 119.81 2b12 h LYS 11 Ca -0.00 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.08 2b12 h LYS 11 Cb 0.70 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.47 2b12 h LYS 11 CO 0.00 0.00 -2.10 -2.37 -2.27 0.00 0.00 179.45 172.71 2b12 n THR 12 N -4.07 1.10 1.00 1.00 5.66 -1.18 -4.55 114.28 113.24 2b12 n THR 12 Ca 0.21 -0.39 0.10 0.00 -3.05 0.00 0.00 64.05 60.92 2b12 n THR 12 Cb 1.09 -1.31 -0.07 0.00 -1.55 0.00 0.00 70.33 68.49 2b12 n THR 12 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2b12 n ARG 13 N -3.25 0.34 0.00 1.09 5.12 -0.08 -4.77 116.66 115.11 2b12 n ARG 13 Ca -0.35 -0.28 0.00 0.00 -1.93 0.00 0.00 57.85 55.29 2b12 n ARG 13 Cb 0.84 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 30.65 2b12 n ARG 13 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2b12 h LEU 15 N 0.00 0.00 -0.00 0.00 7.12 -1.16 -1.88 115.31 119.38 2b12 h LEU 15 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 2b12 h LEU 15 Cb 0.15 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.28 2b12 h LEU 15 CO 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 178.44 178.31 2b12 n GLN 16 N -2.67 0.00 0.00 1.25 0.00 -1.26 -4.00 117.38 110.70 2b12 n GLN 16 Ca -0.02 0.06 0.00 0.00 0.00 0.00 0.00 57.00 57.04 2b12 n GLN 16 Cb 0.06 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.79 2b12 n GLN 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2b12 s HIS 18 N -0.52 1.92 -0.05 0.00 3.76 -0.82 0.20 115.29 119.79 2b12 s HIS 18 Ca 0.00 -0.40 0.06 0.00 -0.15 0.00 0.00 55.06 54.57 2b12 s HIS 18 Cb 0.00 -1.07 -0.01 0.00 1.11 0.00 0.00 32.58 32.61 2b12 s HIS 18 CO 0.00 0.21 -0.24 0.99 -0.85 0.00 0.00 174.74 174.86 2b12 s THR 19 N -1.07 1.92 -0.10 1.30 2.01 -1.13 -4.46 115.64 114.11 2b12 s THR 19 Ca 0.08 -1.00 -0.06 0.00 0.31 0.00 0.00 61.69 61.02 2b12 s THR 19 Cb -0.10 -1.62 -0.27 0.00 0.01 0.00 0.00 72.50 70.52 2b12 s THR 19 CO 0.04 0.54 0.44 -0.37 -0.69 0.00 0.00 174.62 174.58 2b12 h VAL 20 N 4.98 0.70 -4.15 3.82 -1.51 -1.92 0.25 116.25 118.42 2b12 h VAL 20 Ca -0.34 -2.40 -0.51 0.00 -1.23 0.00 0.00 66.70 62.22 2b12 h VAL 20 Cb 1.16 2.55 0.19 0.00 -2.13 0.00 0.00 31.29 33.07 2b12 h VAL 20 CO 0.47 0.88 0.21 -1.83 -1.23 0.00 0.00 177.57 176.06 2b12 s GLU 21 N -2.57 0.88 0.11 5.19 1.03 -1.26 -3.44 118.70 118.64 2b12 s GLU 21 Ca -0.20 1.43 -0.31 0.00 0.03 0.00 0.00 54.97 55.92 2b12 s GLU 21 Cb 0.06 -1.72 -0.09 0.00 -0.80 0.00 0.00 34.13 31.58 2b12 s GLU 21 CO 0.79 -2.69 1.63 0.21 -1.33 0.00 0.00 175.26 173.87 2b12 s LYS 22 N -4.65 4.20 -0.22 -4.83 2.36 -1.26 -2.06 119.74 113.27 2b12 s LYS 22 Ca 0.66 2.36 0.00 0.00 -2.55 0.00 0.00 55.97 56.45 2b12 s LYS 22 Cb -0.23 -3.42 0.00 0.00 -1.05 0.00 0.00 37.83 33.13 2b12 s LYS 22 CO 0.59 -0.69 0.00 0.41 1.55 0.00 0.00 175.35 177.20 2b12 n GLY 23 N 3.92 0.35 3.66 5.54 0.00 -1.26 -4.97 105.19 112.42 2b12 n GLY 23 Ca 0.15 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 2b12 n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b12 n GLY 24 N -0.35 -0.21 3.75 -0.02 0.00 -0.88 -4.96 105.19 102.52 2b12 n GLY 24 Ca -0.02 -0.49 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 2b12 n GLY 24 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2b12 s PRO 25 N -4.00 4.57 0.11 1.61 0.04 -1.26 -4.76 135.00 131.30 2b12 s PRO 25 Ca 0.72 1.85 -0.31 0.00 0.04 0.00 0.00 61.00 63.30 2b12 s PRO 25 Cb -0.29 -3.20 -0.07 0.00 0.04 0.00 0.00 34.50 30.97 2b12 s PRO 25 CO 0.52 0.08 1.27 -1.01 0.04 0.00 0.00 177.00 177.90 2b12 s HIS 26 N -0.73 3.36 0.00 0.56 3.76 -1.26 -4.62 115.29 116.35 2b12 s HIS 26 Ca 0.48 1.20 0.00 0.00 -0.15 0.00 0.00 55.06 56.58 2b12 s HIS 26 Cb -0.33 -3.52 0.00 0.00 1.11 0.00 0.00 32.58 29.84 2b12 s HIS 26 CO 0.40 -1.69 0.00 1.63 -0.85 0.00 0.00 174.74 174.23 2b12 n LYS 27 N 3.62 0.00 0.05 1.40 4.01 -1.26 -4.94 118.16 121.04 2b12 n LYS 27 Ca 0.09 0.00 -0.10 0.00 -0.51 0.00 0.00 58.31 57.79 2b12 n LYS 27 Cb 0.44 0.00 0.02 0.00 -0.51 0.00 0.00 35.03 34.99 2b12 n LYS 27 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2b12 h VAL 28 N 0.00 1.39 -1.75 -0.18 2.07 -1.82 -3.45 116.25 112.51 2b12 h VAL 28 Ca 0.00 -2.18 -0.62 0.00 0.82 0.00 0.00 66.70 64.72 2b12 h VAL 28 Cb 0.00 2.15 -0.13 0.00 -1.52 0.00 0.00 31.29 31.79 2b12 h VAL 28 CO 0.00 0.65 -0.62 -0.83 0.02 0.00 0.00 177.57 176.79 2b12 s GLY 29 N -4.33 2.39 1.22 2.17 0.00 0.53 -5.02 107.32 104.30 2b12 s GLY 29 Ca -0.06 -2.22 -0.15 0.00 0.00 0.00 0.00 44.72 42.29 2b12 s GLY 29 CO 0.84 -2.06 1.01 -4.14 0.00 0.00 0.00 173.10 168.74 2b12 s PRO 30 N -3.69 -1.39 -0.56 2.90 0.02 -1.26 -4.49 135.00 126.53 2b12 s PRO 30 Ca 0.35 0.61 -0.22 0.00 0.02 0.00 0.00 61.00 61.75 2b12 s PRO 30 Cb 0.07 -1.52 0.05 0.00 0.02 0.00 0.00 34.50 33.13 2b12 s PRO 30 CO 0.18 -3.97 0.86 1.21 -0.33 0.00 0.00 177.00 174.95 2b12 s ASN 31 N -2.75 6.27 0.00 2.53 2.47 -1.26 -2.84 114.94 119.36 2b12 s ASN 31 Ca 0.68 -0.65 0.02 0.00 0.42 0.00 0.00 52.86 53.33 2b12 s ASN 31 Cb -0.22 -2.39 0.09 0.00 -1.45 0.00 0.00 41.25 37.28 2b12 s ASN 31 CO 0.63 -1.18 0.35 0.18 -3.72 0.00 0.00 177.10 173.36 2b12 n LEU 32 N 7.16 0.00 -4.70 3.21 4.32 0.89 -4.85 117.00 123.04 2b12 n LEU 32 Ca -0.02 0.00 -0.42 0.00 -0.02 0.00 0.00 56.01 55.55 2b12 n LEU 32 Cb 0.46 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.24 2b12 n LEU 32 CO 0.61 0.00 0.96 -2.28 -1.22 0.00 0.00 177.39 175.46 2b12 s HIS 33 N -2.00 3.24 -0.58 -1.77 2.46 -1.22 -2.79 115.29 112.63 2b12 s HIS 33 Ca 0.02 1.16 -0.00 0.00 0.47 0.00 0.00 55.06 56.71 2b12 s HIS 33 Cb 0.01 -3.48 0.00 0.00 -0.13 0.00 0.00 32.58 28.98 2b12 s HIS 33 CO 0.02 -1.58 0.05 0.41 -2.47 0.00 0.00 174.74 171.16 2b12 n GLY 34 N 3.36 0.12 0.27 1.59 0.00 -1.19 -4.96 105.19 104.38 2b12 n GLY 34 Ca 0.10 -0.57 -0.06 0.00 0.00 0.00 0.00 46.02 45.50 2b12 n GLY 34 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2b12 h ILE 35 N -0.10 1.26 -3.51 -0.61 6.09 -1.72 -3.38 117.51 115.53 2b12 h ILE 35 Ca -0.17 -1.21 -0.53 0.00 -1.37 0.00 0.00 64.86 61.59 2b12 h ILE 35 Cb 1.12 1.13 -0.02 0.00 0.47 0.00 0.00 36.82 39.52 2b12 h ILE 35 CO 0.20 0.40 0.34 -0.36 -3.07 0.00 0.00 178.15 175.66 2b12 s PHE 36 N -4.71 3.76 0.00 2.19 0.08 -1.26 -2.75 117.98 115.29 2b12 s PHE 36 Ca -0.09 1.74 0.00 0.00 0.12 0.00 0.00 56.93 58.70 2b12 s PHE 36 Cb 0.14 -3.04 0.00 0.00 -0.57 0.00 0.00 43.02 39.54 2b12 s PHE 36 CO 0.82 0.16 0.00 0.41 -0.10 0.00 0.00 175.22 176.51 2b12 n GLY 37 N 2.43 2.68 3.85 4.36 0.00 0.40 -4.97 105.19 113.94 2b12 n GLY 37 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 2b12 n GLY 37 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2b12 s ARG 38 N -0.62 3.87 0.60 1.61 3.52 -1.11 -4.69 118.95 122.13 2b12 s ARG 38 Ca 0.00 0.34 -0.17 0.00 -0.13 0.00 0.00 55.73 55.78 2b12 s ARG 38 Cb 0.00 -3.13 -0.03 0.00 -1.56 0.00 0.00 34.95 30.23 2b12 s ARG 38 CO 0.00 0.64 1.10 -1.01 -0.81 0.00 0.00 175.30 175.22 2b12 s HIS 39 N -1.20 2.71 0.20 5.12 3.76 -1.26 -1.60 115.29 123.02 2b12 s HIS 39 Ca 0.27 1.54 -0.30 0.00 -0.15 0.00 0.00 55.06 56.43 2b12 s HIS 39 Cb -0.16 -3.18 -0.08 0.00 1.11 0.00 0.00 32.58 30.27 2b12 s HIS 39 CO 0.15 -1.52 1.18 -1.54 -0.85 0.00 0.00 174.74 172.17 2b12 s SER 40 N -2.30 7.11 0.00 1.40 1.04 0.05 -3.49 113.70 117.51 2b12 s SER 40 Ca 0.68 2.24 0.00 0.00 0.48 0.00 0.00 55.95 59.36 2b12 s SER 40 Cb -0.21 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.30 2b12 s SER 40 CO 0.35 -0.34 0.00 0.61 0.98 0.00 0.00 173.24 174.83 2b12 n GLY 41 N 2.04 0.84 0.92 7.32 0.00 -1.14 -4.48 105.19 110.68 2b12 n GLY 41 Ca 0.04 -0.63 0.05 0.00 0.00 0.00 0.00 46.02 45.48 2b12 n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2b12 n GLN 42 N -0.94 0.94 -2.91 1.61 1.13 -1.23 -4.83 117.38 111.15 2b12 n GLN 42 Ca 0.00 -2.73 -0.43 0.00 -1.94 0.00 0.00 57.00 51.90 2b12 n GLN 42 Cb 0.36 -0.98 -0.05 0.00 0.11 0.00 0.00 30.24 29.68 2b12 n GLN 42 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2b12 s ALA 43 N -1.93 3.30 -0.09 -1.58 0.00 -1.26 -4.98 121.76 115.22 2b12 s ALA 43 Ca 0.35 -0.86 -0.37 0.00 0.00 0.00 0.00 51.96 51.08 2b12 s ALA 43 Cb 0.36 -3.51 -0.15 0.00 0.00 0.00 0.00 23.12 19.83 2b12 s ALA 43 CO -0.10 -1.89 1.67 -1.91 0.00 0.00 0.00 175.76 173.53 2b12 n GLU 44 N 6.81 1.57 -0.27 0.00 0.00 -1.26 -2.58 120.64 124.92 2b12 n GLU 44 Ca 0.04 0.57 0.00 0.00 0.00 0.00 0.00 57.16 57.77 2b12 n GLU 44 Cb 0.48 -2.30 0.00 0.00 0.00 0.00 0.00 31.44 29.62 2b12 n GLU 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2b12 n GLY 45 N 3.79 0.85 3.27 8.31 0.00 -1.26 -5.05 105.19 115.10 2b12 n GLY 45 Ca 0.22 -0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 2b12 n GLY 45 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2b12 s TYR 46 N -2.00 2.62 -0.85 1.61 6.14 -1.07 -5.05 117.35 118.76 2b12 s TYR 46 Ca 0.00 -0.89 -0.17 0.00 0.64 0.00 0.00 57.07 56.65 2b12 s TYR 46 Cb 0.00 -1.73 0.16 0.00 0.42 0.00 0.00 41.96 40.81 2b12 s TYR 46 CO 0.00 -0.33 0.94 0.45 0.64 0.00 0.00 175.55 177.24 2b12 s SER 47 N 0.28 6.62 1.09 4.32 0.15 -1.26 -4.92 113.70 119.98 2b12 s SER 47 Ca -0.15 -2.20 -0.14 0.00 0.70 0.00 0.00 55.95 54.16 2b12 s SER 47 Cb -0.17 -2.32 0.20 0.00 -1.71 0.00 0.00 66.02 62.03 2b12 s SER 47 CO 0.07 -0.89 0.92 -1.22 1.20 0.00 0.00 173.24 173.33 2b12 n TYR 48 N 5.56 -3.84 -3.47 3.44 4.01 -1.26 -5.09 117.16 116.51 2b12 n TYR 48 Ca 0.16 -0.83 -0.24 0.00 -0.16 0.00 0.00 57.90 56.83 2b12 n TYR 48 Cb 0.47 -0.83 -0.02 0.00 -0.31 0.00 0.00 39.34 38.66 2b12 n TYR 48 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2b12 s THR 49 N -2.86 5.12 -1.81 -0.72 -4.23 -1.26 -4.96 115.64 104.93 2b12 s THR 49 Ca 0.56 -0.46 0.00 0.00 -1.18 0.00 0.00 61.69 60.61 2b12 s THR 49 Cb -0.03 -3.84 0.00 0.00 1.34 0.00 0.00 72.50 69.97 2b12 s THR 49 CO 0.41 -0.48 0.84 0.47 -0.54 0.00 0.00 174.62 175.32 2b12 n ASP 50 N -1.56 0.18 -0.08 3.99 8.00 -1.26 -2.22 116.55 123.60 2b12 n ASP 50 Ca -0.05 -1.86 -0.22 0.00 0.71 0.00 0.00 54.79 53.37 2b12 n ASP 50 Cb 0.56 -0.09 -0.12 0.00 -0.02 0.00 0.00 41.12 41.45 2b12 n ASP 50 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2b12 n ALA 51 N -0.40 1.02 0.37 2.24 0.00 -1.26 -2.80 120.51 119.69 2b12 n ALA 51 Ca 0.00 -0.75 0.14 0.00 0.00 0.00 0.00 53.44 52.83 2b12 n ALA 51 Cb 0.05 -0.40 0.50 0.00 0.00 0.00 0.00 19.45 19.60 2b12 n ALA 51 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 2b12 h ASN 52 N -0.42 0.00 0.00 0.00 -1.24 -1.78 -2.76 115.58 109.38 2b12 h ASN 52 Ca -0.48 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 56.48 2b12 h ASN 52 Cb 1.74 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.78 2b12 h ASN 52 CO -0.12 0.00 -0.74 -0.38 -1.29 0.00 0.00 177.43 174.91 2b12 n ILE 53 N -2.63 1.45 0.27 2.57 5.41 -1.17 -2.87 119.36 122.39 2b12 n ILE 53 Ca 0.02 0.15 0.05 0.00 1.00 0.00 0.00 62.75 63.98 2b12 n ILE 53 Cb 0.33 -2.32 0.22 0.00 -0.71 0.00 0.00 39.64 37.16 2b12 n ILE 53 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 2b12 n LYS 54 N -4.56 0.03 -0.12 0.38 5.02 -1.12 -1.81 118.16 115.98 2b12 n LYS 54 Ca -0.13 0.39 -0.11 0.00 -2.02 0.00 0.00 58.31 56.44 2b12 n LYS 54 Cb 0.37 -1.57 0.02 0.00 -0.02 0.00 0.00 35.03 33.84 2b12 n LYS 54 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2b12 h LYS 55 N 0.00 0.90 -6.52 1.97 1.63 -1.70 -3.48 116.57 109.37 2b12 h LYS 55 Ca 0.00 -0.42 -0.41 0.00 -0.85 0.00 0.00 60.65 58.97 2b12 h LYS 55 Cb 0.14 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.76 2b12 h LYS 55 CO 0.00 1.07 -0.93 -1.71 -3.45 0.00 0.00 179.45 174.43 2b12 n ASN 56 N -4.08 -5.36 -4.46 4.20 5.15 -0.75 -5.01 115.26 104.95 2b12 n ASN 56 Ca -0.01 -0.78 -0.26 0.00 -0.60 0.00 0.00 54.58 52.93 2b12 n ASN 56 Cb 0.49 -2.26 -0.11 0.00 -0.53 0.00 0.00 39.78 37.37 2b12 n ASN 56 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 2b12 s VAL 57 N -2.91 2.52 -0.34 3.44 -7.23 -1.26 -4.90 120.40 109.72 2b12 s VAL 57 Ca 0.02 -2.06 -0.15 0.00 -1.81 0.00 0.00 61.98 57.98 2b12 s VAL 57 Cb -0.00 -2.24 -0.01 0.00 0.56 0.00 0.00 36.38 34.68 2b12 s VAL 57 CO 0.87 -0.18 0.36 -0.22 -0.31 0.00 0.00 175.10 175.62 2b12 s LEU 58 N -2.89 4.42 -0.18 1.32 2.96 -1.26 -0.77 118.68 122.28 2b12 s LEU 58 Ca 0.23 -0.21 -0.29 0.00 -0.22 0.00 0.00 54.13 53.64 2b12 s LEU 58 Cb -0.07 -2.34 -0.04 0.00 0.50 0.00 0.00 46.19 44.23 2b12 s LEU 58 CO 0.12 -0.33 1.81 0.26 -1.32 0.00 0.00 176.35 176.88 2b12 s TRP 59 N 2.02 1.75 -0.11 5.38 0.52 -0.63 -4.84 118.94 123.03 2b12 s TRP 59 Ca 0.12 0.36 -0.08 0.00 0.02 0.00 0.00 56.10 56.51 2b12 s TRP 59 Cb -0.16 -4.02 0.04 0.00 -1.15 0.00 0.00 33.47 28.17 2b12 s TRP 59 CO 0.12 -3.66 0.29 0.16 0.02 0.00 0.00 176.95 173.88 2b12 s ASP 60 N 5.14 -0.32 0.00 2.95 1.47 -1.26 0.15 116.67 124.81 2b12 s ASP 60 Ca 0.81 0.60 0.00 0.00 1.18 0.00 0.00 52.55 55.14 2b12 s ASP 60 Cb -0.30 0.55 0.00 0.00 -0.34 0.00 0.00 42.92 42.83 2b12 s ASP 60 CO 0.33 -0.13 0.00 -0.62 0.68 0.00 0.00 175.17 175.42 2b12 n GLU 61 N 3.53 0.00 0.08 2.11 4.71 -1.26 -0.76 120.64 129.05 2b12 n GLU 61 Ca -0.18 0.00 -0.23 0.00 -0.01 0.00 0.00 57.16 56.74 2b12 n GLU 61 Cb 0.56 0.00 -0.15 0.00 -1.01 0.00 0.00 31.44 30.84 2b12 n GLU 61 CO 0.00 0.00 0.00 -0.91 0.09 0.00 0.00 177.13 176.31 2b12 h ASN 62 N 0.00 0.63 1.57 1.62 4.21 -1.98 -3.30 115.58 118.33 2b12 h ASN 62 Ca 0.00 -0.92 0.00 0.00 1.21 0.00 0.00 56.30 56.59 2b12 h ASN 62 Cb 0.00 -0.21 0.00 0.00 -1.12 0.00 0.00 38.32 36.99 2b12 h ASN 62 CO 0.00 1.64 0.00 -0.55 -1.29 0.00 0.00 177.43 177.23 2b12 h ASN 63 N -0.06 0.00 0.71 5.81 7.08 -1.31 -2.81 115.58 125.00 2b12 h ASN 63 Ca -0.26 0.00 -0.15 0.00 -3.08 0.00 0.00 56.30 52.81 2b12 h ASN 63 Cb 1.96 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 38.18 2b12 h ASN 63 CO 0.19 0.00 -0.72 -0.03 -2.08 0.00 0.00 177.43 174.79 2b12 h MET 64 N 0.00 0.01 0.01 4.14 4.05 -1.72 -2.49 114.93 118.93 2b12 h MET 64 Ca 0.00 -0.01 -0.23 0.00 -0.28 0.00 0.00 59.70 59.19 2b12 h MET 64 Cb 0.78 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.59 2b12 h MET 64 CO 0.00 0.73 -0.96 1.03 0.23 0.00 0.00 176.91 177.94 2b12 h SER 65 N 0.00 0.50 0.64 1.39 0.87 -1.58 0.38 113.55 115.75 2b12 h SER 65 Ca -0.01 -0.41 0.00 0.00 -1.23 0.00 0.00 61.79 60.14 2b12 h SER 65 Cb 1.28 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 2b12 h SER 65 CO 0.09 1.21 0.00 1.21 -0.53 0.00 0.00 176.83 178.82 2b12 n GLU 66 N -3.72 0.20 -0.12 2.24 2.13 -1.09 -2.51 120.64 117.77 2b12 n GLU 66 Ca -0.07 0.06 -0.23 0.00 0.66 0.00 0.00 57.16 57.59 2b12 n GLU 66 Cb 0.85 -1.50 -0.08 0.00 0.27 0.00 0.00 31.44 30.98 2b12 n GLU 66 CO 0.00 0.00 0.00 0.98 -0.41 0.00 0.00 177.13 177.70 2b12 n TYR 67 N -1.38 0.00 0.19 4.31 9.36 -0.94 -4.49 117.16 124.20 2b12 n TYR 67 Ca 0.09 0.00 0.02 0.00 3.32 0.00 0.00 57.90 61.34 2b12 n TYR 67 Cb 0.24 -0.82 0.11 0.00 -0.63 0.00 0.00 39.34 38.24 2b12 n TYR 67 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 2b12 n LEU 68 N -4.23 0.00 -0.01 2.98 4.32 0.13 -0.97 117.00 119.22 2b12 n LEU 68 Ca -0.42 0.46 -0.17 0.00 -0.02 0.00 0.00 56.01 55.87 2b12 n LEU 68 Cb 0.77 -0.46 -0.10 0.00 -1.62 0.00 0.00 43.42 42.00 2b12 n LEU 68 CO 0.07 -0.38 0.30 0.00 -1.22 0.00 0.00 177.39 176.16 2b12 h THR 69 N 0.00 1.43 -1.00 -5.08 1.03 -1.66 0.37 112.91 108.00 2b12 h THR 69 Ca 0.00 -1.99 -0.08 0.00 -0.01 0.00 0.00 66.41 64.33 2b12 h THR 69 Cb 0.08 2.53 -0.18 0.00 -1.07 0.00 0.00 68.15 69.50 2b12 h THR 69 CO 0.00 0.58 -0.46 0.21 -0.01 0.00 0.00 175.52 175.84 2b12 s ASN 70 N -6.66 -1.52 0.13 0.00 3.04 -0.96 -3.49 114.94 105.48 2b12 s ASN 70 Ca -0.13 -0.95 -0.24 0.00 0.04 0.00 0.00 52.86 51.58 2b12 s ASN 70 Cb 0.04 1.95 -0.03 0.00 -1.54 0.00 0.00 41.25 41.66 2b12 s ASN 70 CO 0.81 -0.15 1.65 -0.65 -3.04 0.00 0.00 177.10 175.72 2b12 h PRO 71 N 6.63 -0.28 0.00 0.43 0.11 -1.25 -3.00 132.00 134.64 2b12 h PRO 71 Ca 0.05 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.18 2b12 h PRO 71 Cb 1.17 0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2b12 h PRO 71 CO 0.08 -0.19 0.00 1.63 -0.21 0.00 0.00 178.00 179.32 2b12 n LYS 72 N -5.34 0.09 -0.09 1.05 5.02 -1.26 -1.64 118.16 115.99 2b12 n LYS 72 Ca -0.04 0.24 -0.11 0.00 -2.02 0.00 0.00 58.31 56.39 2b12 n LYS 72 Cb 0.26 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.61 2b12 n LYS 72 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2b12 n LYS 73 N -1.33 0.68 -0.03 1.97 4.81 -1.14 -4.17 118.16 118.95 2b12 n LYS 73 Ca 0.03 0.06 -0.15 0.00 -0.87 0.00 0.00 58.31 57.38 2b12 n LYS 73 Cb 0.07 -1.57 -0.12 0.00 0.02 0.00 0.00 35.03 33.43 2b12 n LYS 73 CO 0.00 0.00 0.00 -0.92 1.17 0.00 0.00 177.40 177.65 2b12 h TYR 74 N 0.00 0.23 -3.59 5.64 5.03 -1.22 -3.40 116.97 119.66 2b12 h TYR 74 Ca -0.51 -0.13 -0.67 0.00 2.58 0.00 0.00 58.73 60.00 2b12 h TYR 74 Cb 2.17 -0.02 -0.38 0.00 1.55 0.00 0.00 36.73 40.04 2b12 h TYR 74 CO 0.01 0.96 -0.64 0.42 -1.32 0.00 0.00 178.16 177.59 2b12 s ILE 75 N -2.97 2.70 0.03 1.81 1.01 -0.71 -5.10 121.20 117.98 2b12 s ILE 75 Ca -0.16 -2.35 -0.30 0.00 0.00 0.00 0.00 60.65 57.83 2b12 s ILE 75 Cb 0.00 -2.92 -0.05 0.00 0.01 0.00 0.00 42.46 39.50 2b12 s ILE 75 CO 0.74 -0.66 1.25 -2.84 0.00 0.00 0.00 174.94 173.43 2b12 s PRO 76 N 0.85 4.38 0.00 2.79 0.02 -1.26 -3.35 135.00 138.43 2b12 s PRO 76 Ca 0.11 1.81 0.00 0.00 0.02 0.00 0.00 61.00 62.93 2b12 s PRO 76 Cb -0.21 -3.42 0.00 0.00 0.02 0.00 0.00 34.50 30.89 2b12 s PRO 76 CO -0.06 -0.37 0.00 0.41 -0.33 0.00 0.00 177.00 176.65 2b12 n GLY 77 N 3.34 0.63 3.76 0.52 0.00 -1.26 -4.80 105.19 107.39 2b12 n GLY 77 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 2b12 n GLY 77 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2b12 s THR 78 N -2.33 2.75 -0.40 2.61 -1.32 -1.21 -4.89 115.64 110.86 2b12 s THR 78 Ca 0.00 0.58 0.06 0.00 -1.21 0.00 0.00 61.69 61.12 2b12 s THR 78 Cb 0.00 -3.30 0.49 0.00 -1.51 0.00 0.00 72.50 68.18 2b12 s THR 78 CO 0.00 0.00 1.46 2.29 -2.21 0.00 0.00 174.62 176.16 2b12 n LYS 79 N -0.58 2.72 -2.97 7.08 -0.00 -1.26 -4.77 118.16 118.38 2b12 n LYS 79 Ca 0.08 -2.02 -0.44 0.00 -0.00 0.00 0.00 58.31 55.93 2b12 n LYS 79 Cb 0.47 -1.89 -0.04 0.00 -0.00 0.00 0.00 35.03 33.57 2b12 n LYS 79 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.40 178.81 2b12 s MET 80 N -2.16 3.24 -1.13 -1.58 1.75 -1.26 -4.95 119.30 113.21 2b12 s MET 80 Ca 0.37 -1.30 -0.22 0.00 -1.25 0.00 0.00 55.69 53.29 2b12 s MET 80 Cb 0.29 -4.43 -0.01 0.00 2.84 0.00 0.00 34.83 33.53 2b12 s MET 80 CO 0.09 -1.70 1.79 0.00 -0.65 0.00 0.00 175.02 174.54 2b12 s ALA 81 N 3.11 2.40 -0.24 4.11 0.00 -1.26 -4.79 121.76 125.09 2b12 s ALA 81 Ca 0.21 -2.27 -0.12 0.00 0.00 0.00 0.00 51.96 49.78 2b12 s ALA 81 Cb -0.16 -4.62 0.08 0.00 0.00 0.00 0.00 23.12 18.43 2b12 s ALA 81 CO 0.03 -4.27 0.57 -0.47 0.00 0.00 0.00 175.76 171.62 2b12 s TYR 82 N 7.66 -0.92 0.16 0.00 6.14 -1.26 -5.08 117.35 124.07 2b12 s TYR 82 Ca 0.60 1.82 -0.14 0.00 0.64 0.00 0.00 57.07 59.99 2b12 s TYR 82 Cb -0.00 0.50 0.05 0.00 0.42 0.00 0.00 41.96 42.93 2b12 s TYR 82 CO 0.04 -0.48 1.75 0.78 0.64 0.00 0.00 175.55 178.29 2b12 h GLY 83 N 7.25 0.82 0.00 8.97 0.00 -1.96 -3.40 103.07 114.74 2b12 h GLY 83 Ca -0.30 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 46.63 2b12 h GLY 83 CO 0.20 0.38 0.00 0.61 0.00 0.00 0.00 176.54 177.73 2b12 n GLY 84 N -0.94 3.59 3.41 4.60 0.00 -1.26 -4.31 105.19 110.28 2b12 n GLY 84 Ca 0.03 -1.82 -0.39 0.00 0.00 0.00 0.00 46.02 43.83 2b12 n GLY 84 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2b12 s LEU 85 N 0.00 4.40 0.11 0.99 1.98 0.13 -4.96 118.68 121.33 2b12 s LEU 85 Ca 0.00 -0.76 0.07 0.00 -2.89 0.00 0.00 54.13 50.55 2b12 s LEU 85 Cb 0.00 -2.01 -0.21 0.00 0.66 0.00 0.00 46.19 44.62 2b12 s LEU 85 CO 0.00 -0.29 1.23 0.07 -1.89 0.00 0.00 176.35 175.47 2b12 h LYS 86 N 8.39 0.01 -6.13 1.98 2.10 -1.85 -3.38 116.57 117.70 2b12 h LYS 86 Ca -0.29 -0.02 -0.57 0.00 -2.00 0.00 0.00 60.65 57.77 2b12 h LYS 86 Cb 1.12 0.01 -0.05 0.00 -0.90 0.00 0.00 32.23 32.41 2b12 h LYS 86 CO 0.64 0.97 0.58 0.15 -2.00 0.00 0.00 179.45 179.79 2b12 s LYS 87 N -2.70 4.35 0.47 0.07 1.02 -1.26 -4.95 119.74 116.74 2b12 s LYS 87 Ca 0.00 1.28 0.17 0.00 0.02 0.00 0.00 55.97 57.44 2b12 s LYS 87 Cb 0.10 -3.58 1.13 0.00 -0.52 0.00 0.00 37.83 34.96 2b12 s LYS 87 CO 0.82 -0.40 2.04 1.49 -0.92 0.00 0.00 175.35 178.39 2b12 h GLU 88 N 7.25 0.00 -0.46 1.68 4.81 -1.99 -2.84 114.58 123.03 2b12 h GLU 88 Ca -0.28 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 58.83 2b12 h GLU 88 Cb 1.12 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 2b12 h GLU 88 CO 0.88 0.14 -0.22 1.57 -0.73 0.00 0.00 179.01 180.65 2b12 h LYS 89 N 0.00 0.95 0.00 1.92 2.10 -1.99 -0.42 116.57 119.14 2b12 h LYS 89 Ca -0.00 -0.42 -0.03 0.00 -2.00 0.00 0.00 60.65 58.20 2b12 h LYS 89 Cb 0.26 -0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 31.55 2b12 h LYS 89 CO 0.02 1.08 -0.14 -0.44 -2.00 0.00 0.00 179.45 177.97 2b12 h ASP 90 N 0.80 0.00 1.11 7.07 3.45 -1.93 -0.72 116.42 126.19 2b12 h ASP 90 Ca 0.10 0.00 -0.18 0.00 0.43 0.00 0.00 57.03 57.38 2b12 h ASP 90 Cb 0.80 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 39.54 2b12 h ASP 90 CO 0.07 0.14 -0.92 0.03 -1.57 0.00 0.00 179.24 176.99 2b12 h ARG 91 N 0.00 0.00 0.07 3.56 3.08 -1.20 -2.92 114.38 116.96 2b12 h ARG 91 Ca -0.00 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.81 2b12 h ARG 91 Cb 0.68 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.72 2b12 h ARG 91 CO 0.02 0.74 -1.10 -0.91 -1.07 0.00 0.00 179.97 177.65 2b12 h ASN 92 N 0.00 0.32 -0.08 7.04 -0.26 -0.38 -3.04 115.58 119.19 2b12 h ASN 92 Ca -0.04 -0.32 -0.02 0.00 -0.56 0.00 0.00 56.30 55.36 2b12 h ASN 92 Cb 1.65 -0.10 -0.00 0.00 -1.06 0.00 0.00 38.32 38.80 2b12 h ASN 92 CO 0.10 1.21 -0.04 0.44 -1.06 0.00 0.00 177.43 178.08 2b12 h ASP 93 N 0.08 0.17 -0.52 5.81 3.45 -1.22 -2.65 116.42 121.54 2b12 h ASP 93 Ca -0.09 -0.41 -0.08 0.00 0.43 0.00 0.00 57.03 56.88 2b12 h ASP 93 Cb 1.81 -0.05 -0.02 0.00 -0.56 0.00 0.00 39.33 40.51 2b12 h ASP 93 CO 0.17 0.54 0.03 0.25 -1.57 0.00 0.00 179.24 178.66 2b12 h LEU 94 N -0.20 0.92 -0.47 1.55 5.85 -1.61 -3.01 115.31 118.33 2b12 h LEU 94 Ca 0.02 -0.23 -0.17 0.00 0.84 0.00 0.00 57.88 58.34 2b12 h LEU 94 Cb 0.48 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 2b12 h LEU 94 CO 0.01 0.96 -0.76 0.40 -0.34 0.00 0.00 178.44 178.71 2b12 h ILE 95 N 0.88 1.50 0.00 4.05 2.04 -1.63 -2.19 117.51 122.16 2b12 h ILE 95 Ca 0.17 -2.46 -0.05 0.00 1.00 0.00 0.00 64.86 63.52 2b12 h ILE 95 Cb 0.48 2.33 -0.01 0.00 -0.74 0.00 0.00 36.82 38.89 2b12 h ILE 95 CO 0.02 0.71 -0.22 0.74 0.00 0.00 0.00 178.15 179.40 2b12 h THR 96 N 0.06 0.56 0.05 -0.27 2.02 -1.48 -1.48 112.91 112.37 2b12 h THR 96 Ca -0.02 -1.08 -0.07 0.00 0.77 0.00 0.00 66.41 66.01 2b12 h THR 96 Cb 1.33 1.73 0.01 0.00 -1.74 0.00 0.00 68.15 69.48 2b12 h THR 96 CO 0.11 0.22 -0.31 0.22 0.37 0.00 0.00 175.52 176.12 2b12 h TYR 97 N 0.00 0.22 0.00 3.16 5.03 -1.42 -3.32 116.97 120.64 2b12 h TYR 97 Ca -0.00 -0.15 -0.05 0.00 2.58 0.00 0.00 58.73 61.10 2b12 h TYR 97 Cb 0.71 -0.01 -0.01 0.00 1.55 0.00 0.00 36.73 38.98 2b12 h TYR 97 CO 0.00 1.10 -0.26 1.25 -1.32 0.00 0.00 178.16 178.93 2b12 h LEU 98 N -0.72 0.00 -0.10 2.82 5.85 -1.11 -1.63 115.31 120.43 2b12 h LEU 98 Ca -0.05 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 2b12 h LEU 98 Cb 1.22 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.25 2b12 h LEU 98 CO 0.06 0.26 -0.13 0.50 -0.34 0.00 0.00 178.44 178.79 2b12 h LYS 99 N 0.00 0.00 0.00 1.25 3.11 -1.41 -1.58 116.57 117.93 2b12 h LYS 99 Ca -0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2b12 h LYS 99 Cb 0.52 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.75 2b12 h LYS 99 CO 0.03 0.13 -1.35 1.17 -2.81 0.00 0.00 179.45 176.62 2b12 n LYS 100 N -3.14 0.62 0.00 1.90 0.00 -1.11 -4.23 118.16 112.20 2b12 n LYS 100 Ca 0.03 0.01 -0.21 0.00 0.00 0.00 0.00 58.31 58.14 2b12 n LYS 100 Cb 0.57 -1.72 -0.14 0.00 0.00 0.00 0.00 35.03 33.75 2b12 n LYS 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2b12 h ALA 101 N 2.01 0.14 -0.69 3.14 0.00 -1.25 -3.37 119.26 119.24 2b12 h ALA 101 Ca 0.00 -1.02 -0.54 0.00 0.00 0.00 0.00 54.91 53.35 2b12 h ALA 101 Cb 1.00 0.42 -0.20 0.00 0.00 0.00 0.00 17.79 19.01 2b12 h ALA 101 CO 0.00 0.72 0.61 0.00 0.00 0.00 0.00 179.25 180.58