#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i22 n ILE 2 N 0.00 0.00 -4.33 1.12 -5.35 -1.26 -4.85 119.36 104.69 3i22 n ILE 2 Ca 0.00 0.00 -0.17 0.00 -0.27 0.00 0.00 62.75 62.31 3i22 n ILE 2 Cb 0.00 -1.76 -0.10 0.00 -1.74 0.00 0.00 39.64 36.04 3i22 n ILE 2 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3i22 s GLY 3 N -2.62 1.45 0.24 3.28 0.00 -1.26 -4.31 107.32 104.09 3i22 s GLY 3 Ca 0.00 -1.69 0.12 0.00 0.00 0.00 0.00 44.72 43.14 3i22 s GLY 3 CO 0.00 -1.70 -0.22 1.08 0.00 0.00 0.00 173.10 172.26 3i22 s LEU 4 N -3.30 2.52 -0.20 0.66 2.01 -0.75 -4.90 118.68 114.71 3i22 s LEU 4 Ca 0.24 -0.95 -0.07 0.00 0.01 0.00 0.00 54.13 53.36 3i22 s LEU 4 Cb 0.03 -1.12 -0.03 0.00 0.01 0.00 0.00 46.19 45.08 3i22 s LEU 4 CO 0.07 0.07 0.04 -0.69 1.01 0.00 0.00 176.35 176.85 3i22 s VAL 5 N -2.13 4.42 0.00 -1.59 1.01 -1.26 -2.37 120.40 118.49 3i22 s VAL 5 Ca 0.25 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.08 3i22 s VAL 5 Cb -0.06 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.31 3i22 s VAL 5 CO 0.12 0.43 0.00 0.61 0.00 0.00 0.00 175.10 176.26 3i22 n GLY 6 N 3.99 5.54 2.77 4.51 0.00 -0.85 -4.65 105.19 116.51 3i22 n GLY 6 Ca -0.17 -1.44 -0.17 0.00 0.00 0.00 0.00 46.02 44.24 3i22 n GLY 6 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i22 s LYS 7 N 1.28 -0.01 0.10 1.61 2.20 -0.49 -2.22 119.74 122.21 3i22 s LYS 7 Ca 0.00 0.43 -0.31 0.00 -0.36 0.00 0.00 55.97 55.73 3i22 s LYS 7 Cb 0.00 -0.35 -0.10 0.00 -1.51 0.00 0.00 37.83 35.87 3i22 s LYS 7 CO 0.00 -0.29 1.81 0.21 -0.36 0.00 0.00 175.35 176.72 3i22 s LYS 8 N 1.99 4.15 0.00 4.03 2.20 -1.21 -1.36 119.74 129.53 3i22 s LYS 8 Ca 0.01 2.55 0.00 0.00 -0.36 0.00 0.00 55.97 58.17 3i22 s LYS 8 Cb -0.12 -3.65 0.00 0.00 -1.51 0.00 0.00 37.83 32.55 3i22 s LYS 8 CO -0.04 -0.83 0.00 1.55 -0.36 0.00 0.00 175.35 175.66 3i22 n VAL 9 N 4.82 0.00 0.00 4.02 3.14 -0.72 -1.29 118.33 128.30 3i22 n VAL 9 Ca 0.18 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.56 3i22 n VAL 9 Cb 0.39 -0.01 0.00 0.00 -1.06 0.00 0.00 33.84 33.16 3i22 n VAL 9 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3i22 n GLY 10 N 1.14 0.77 0.36 7.55 0.00 -0.89 -4.90 105.19 109.22 3i22 n GLY 10 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3i22 n GLY 10 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3i22 n MET 11 N 0.00 0.00 -3.85 1.61 2.81 -1.24 -4.76 117.12 111.70 3i22 n MET 11 Ca 0.00 0.12 -0.11 0.00 -1.81 0.00 0.00 57.70 55.90 3i22 n MET 11 Cb 0.00 -0.36 -0.09 0.00 -0.71 0.00 0.00 33.22 32.06 3i22 n MET 11 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 3i22 s THR 12 N -1.15 0.09 0.43 2.03 2.01 -0.63 -5.00 115.64 113.43 3i22 s THR 12 Ca 0.00 -0.74 -0.07 0.00 0.31 0.00 0.00 61.69 61.19 3i22 s THR 12 Cb 0.00 -0.64 0.10 0.00 0.01 0.00 0.00 72.50 71.97 3i22 s THR 12 CO 0.00 -0.41 0.44 -2.11 -0.69 0.00 0.00 174.62 171.85 3i22 n ARG 13 N 1.13 -1.38 0.00 4.92 1.85 -1.26 -2.23 116.66 119.70 3i22 n ARG 13 Ca -0.21 -0.70 0.00 0.00 -1.00 0.00 0.00 57.85 55.94 3i22 n ARG 13 Cb 0.57 -0.58 0.00 0.00 -1.05 0.00 0.00 32.46 31.40 3i22 n ARG 13 CO 0.00 0.00 0.00 1.51 -0.01 0.00 0.00 177.63 179.13 3i22 n ILE 14 N -3.16 0.00 -2.34 8.89 3.06 -1.20 -4.77 119.36 119.84 3i22 n ILE 14 Ca 0.06 0.00 -0.37 0.00 -2.50 0.00 0.00 62.75 59.94 3i22 n ILE 14 Cb 0.22 0.00 -0.02 0.00 0.54 0.00 0.00 39.64 40.38 3i22 n ILE 14 CO 0.00 0.00 0.00 -0.36 -2.50 0.00 0.00 176.55 173.69 3i22 s PHE 15 N 0.00 3.03 0.41 9.51 0.40 -1.25 -3.34 117.98 126.75 3i22 s PHE 15 Ca 0.00 1.57 0.08 0.00 -0.60 0.00 0.00 56.93 57.98 3i22 s PHE 15 Cb 0.00 -3.32 -0.03 0.00 0.51 0.00 0.00 43.02 40.19 3i22 s PHE 15 CO 0.00 -1.22 0.33 -0.08 0.70 0.00 0.00 175.22 174.95 3i22 s THR 16 N -1.54 2.60 -1.04 0.64 -1.32 -1.04 -4.89 115.64 109.05 3i22 s THR 16 Ca 0.60 -1.43 0.16 0.00 -1.21 0.00 0.00 61.69 59.82 3i22 s THR 16 Cb -0.27 -3.00 0.15 0.00 -1.51 0.00 0.00 72.50 67.86 3i22 s THR 16 CO 0.34 -0.01 1.52 -0.62 -2.21 0.00 0.00 174.62 173.64 3i22 n GLU 17 N -1.47 0.02 -0.02 7.08 4.71 -1.26 -2.02 120.64 127.68 3i22 n GLU 17 Ca 0.02 0.21 -0.15 0.00 -0.01 0.00 0.00 57.16 57.23 3i22 n GLU 17 Cb 0.62 -1.50 -0.14 0.00 -1.01 0.00 0.00 31.44 29.41 3i22 n GLU 17 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3i22 n ASP 18 N -1.48 1.50 0.00 1.62 10.43 -1.26 -5.01 116.55 122.35 3i22 n ASP 18 Ca 0.04 0.27 0.00 0.00 2.57 0.00 0.00 54.79 57.67 3i22 n ASP 18 Cb 0.19 -0.42 0.00 0.00 1.84 0.00 0.00 41.12 42.72 3i22 n ASP 18 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3i22 n GLY 19 N 1.81 0.54 3.04 0.44 0.00 -0.86 -5.15 105.19 105.01 3i22 n GLY 19 Ca -0.26 -0.76 -0.25 0.00 0.00 0.00 0.00 46.02 44.75 3i22 n GLY 19 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i22 s VAL 20 N -0.31 1.17 -1.35 1.61 1.01 -1.26 -4.89 120.40 116.38 3i22 s VAL 20 Ca 0.00 -0.51 -0.10 0.00 0.00 0.00 0.00 61.98 61.37 3i22 s VAL 20 Cb 0.00 -1.06 0.11 0.00 0.00 0.00 0.00 36.38 35.44 3i22 s VAL 20 CO 0.00 0.36 2.09 -0.24 0.00 0.00 0.00 175.10 177.31 3i22 n SER 21 N 3.73 5.28 -4.57 3.32 2.88 -1.26 -2.51 113.62 120.50 3i22 n SER 21 Ca -0.22 -3.01 -0.41 0.00 -1.33 0.00 0.00 58.87 53.90 3i22 n SER 21 Cb 0.52 -1.52 -0.04 0.00 -0.75 0.00 0.00 64.21 62.43 3i22 n SER 21 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 3i22 n ILE 22 N 3.63 0.15 -2.10 2.46 2.08 -1.21 -4.81 119.36 119.56 3i22 n ILE 22 Ca 0.48 -0.58 -0.34 0.00 0.56 0.00 0.00 62.75 62.87 3i22 n ILE 22 Cb 0.35 -2.57 -0.04 0.00 -0.75 0.00 0.00 39.64 36.63 3i22 n ILE 22 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 3i22 s PRO 23 N 7.19 2.67 0.28 0.38 0.04 -1.26 -3.23 135.00 141.08 3i22 s PRO 23 Ca 1.01 0.09 0.08 0.00 0.04 0.00 0.00 61.00 62.22 3i22 s PRO 23 Cb -0.32 -4.72 -0.04 0.00 0.04 0.00 0.00 34.50 29.46 3i22 s PRO 23 CO 0.33 -2.95 0.11 0.54 0.04 0.00 0.00 177.00 175.06 3i22 s VAL 24 N 9.12 3.62 -0.16 -0.36 0.11 -0.94 -0.59 120.40 131.21 3i22 s VAL 24 Ca 0.66 -1.68 0.01 0.00 -2.93 0.00 0.00 61.98 58.03 3i22 s VAL 24 Cb -0.09 -3.05 0.01 0.00 -1.53 0.00 0.00 36.38 31.72 3i22 s VAL 24 CO 0.10 -0.31 -0.19 -0.89 -3.33 0.00 0.00 175.10 170.48 3i22 s THR 25 N -2.30 2.28 -0.06 5.04 2.01 0.38 -1.60 115.64 121.40 3i22 s THR 25 Ca 0.34 -0.90 -0.28 0.00 0.31 0.00 0.00 61.69 61.17 3i22 s THR 25 Cb -0.06 -1.94 -0.03 0.00 0.01 0.00 0.00 72.50 70.49 3i22 s THR 25 CO 0.22 0.53 0.90 -0.69 -0.69 0.00 0.00 174.62 174.89 3i22 s VAL 26 N 0.94 4.90 -0.07 3.82 1.01 -1.26 -2.59 120.40 127.15 3i22 s VAL 26 Ca -0.04 1.85 -0.00 0.00 0.00 0.00 0.00 61.98 63.79 3i22 s VAL 26 Cb -0.15 -4.23 0.02 0.00 0.00 0.00 0.00 36.38 32.03 3i22 s VAL 26 CO -0.04 0.14 -0.04 -0.63 0.00 0.00 0.00 175.10 174.53 3i22 s ILE 27 N 1.29 0.60 -0.21 2.22 1.01 -0.61 -1.76 121.20 123.74 3i22 s ILE 27 Ca 0.46 -0.08 -0.07 0.00 0.00 0.00 0.00 60.65 60.96 3i22 s ILE 27 Cb -0.19 -0.67 -0.03 0.00 0.01 0.00 0.00 42.46 41.57 3i22 s ILE 27 CO 0.22 0.28 0.05 -0.70 0.00 0.00 0.00 174.94 174.79 3i22 s GLU 28 N 1.48 3.77 -0.36 2.79 -6.30 -0.47 -0.41 118.70 119.20 3i22 s GLU 28 Ca -0.02 -0.44 0.04 0.00 -2.50 0.00 0.00 54.97 52.05 3i22 s GLU 28 Cb -0.13 -3.23 0.10 0.00 0.00 0.00 0.00 34.13 30.87 3i22 s GLU 28 CO -0.03 0.03 0.08 0.08 0.02 0.00 0.00 175.26 175.44 3i22 s VAL 29 N 1.02 2.22 -1.45 3.70 1.01 -0.90 -1.40 120.40 124.60 3i22 s VAL 29 Ca 0.04 -2.42 -0.08 0.00 0.00 0.00 0.00 61.98 59.52 3i22 s VAL 29 Cb -0.14 -2.63 0.04 0.00 0.00 0.00 0.00 36.38 33.65 3i22 s VAL 29 CO 0.03 -0.63 2.58 -0.62 0.00 0.00 0.00 175.10 176.45 3i22 n GLU 30 N 4.13 4.12 -2.03 2.72 1.02 -1.26 -4.58 120.64 124.76 3i22 n GLU 30 Ca 0.04 -2.93 0.00 0.00 -0.02 0.00 0.00 57.16 54.25 3i22 n GLU 30 Cb 0.41 -2.74 0.00 0.00 -0.02 0.00 0.00 31.44 29.08 3i22 n GLU 30 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i22 n ALA 31 N 2.77 -1.55 -3.43 0.62 0.00 -1.26 -4.59 120.51 113.06 3i22 n ALA 31 Ca 0.67 0.28 -0.36 0.00 0.00 0.00 0.00 53.44 54.03 3i22 n ALA 31 Cb 0.25 -1.05 -0.13 0.00 0.00 0.00 0.00 19.45 18.52 3i22 n ALA 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i22 s ASN 32 N -0.32 4.91 0.28 0.00 2.20 -0.99 -4.45 114.94 116.58 3i22 s ASN 32 Ca 0.00 -0.98 -0.08 0.00 -0.94 0.00 0.00 52.86 50.86 3i22 s ASN 32 Cb 0.00 -1.79 -0.06 0.00 -2.00 0.00 0.00 41.25 37.40 3i22 s ASN 32 CO 0.00 -0.22 0.58 0.00 -2.94 0.00 0.00 177.10 174.52 3i22 s ARG 33 N 1.38 3.73 0.66 3.55 3.03 -0.99 -2.87 118.95 127.44 3i22 s ARG 33 Ca -0.01 0.19 -0.15 0.00 2.03 0.00 0.00 55.73 57.79 3i22 s ARG 33 Cb -0.18 -2.61 0.00 0.00 -1.03 0.00 0.00 34.95 31.13 3i22 s ARG 33 CO 0.00 0.23 1.12 0.14 -1.13 0.00 0.00 175.30 175.66 3i22 s VAL 34 N -2.00 3.11 -0.08 4.99 -7.23 -1.26 -1.63 120.40 116.30 3i22 s VAL 34 Ca 0.47 0.53 0.10 0.00 -1.81 0.00 0.00 61.98 61.26 3i22 s VAL 34 Cb -0.11 -3.06 -0.14 0.00 0.56 0.00 0.00 36.38 33.64 3i22 s VAL 34 CO 0.26 -0.31 0.08 0.41 -0.31 0.00 0.00 175.10 175.23 3i22 n THR 35 N -2.40 0.56 -3.52 5.32 -1.04 -0.55 -3.58 114.28 109.07 3i22 n THR 35 Ca 0.11 -0.40 0.01 0.00 -2.04 0.00 0.00 64.05 61.73 3i22 n THR 35 Cb 0.52 -0.53 -0.05 0.00 -1.82 0.00 0.00 70.33 68.45 3i22 n THR 35 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i22 s GLN 36 N -2.36 0.19 -0.27 -2.82 -2.07 -1.26 -4.42 119.66 106.66 3i22 s GLN 36 Ca -0.05 0.38 -0.15 0.00 -1.82 0.00 0.00 55.36 53.72 3i22 s GLN 36 Cb 0.04 0.12 -0.04 0.00 -1.09 0.00 0.00 33.01 32.04 3i22 s GLN 36 CO 0.43 -0.05 0.38 0.08 -1.32 0.00 0.00 175.29 174.81 3i22 s VAL 37 N 1.58 5.17 0.05 3.63 1.01 -1.26 -3.43 120.40 127.15 3i22 s VAL 37 Ca -0.06 0.58 0.06 0.00 0.00 0.00 0.00 61.98 62.56 3i22 s VAL 37 Cb -0.03 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 3i22 s VAL 37 CO -0.14 0.16 -0.11 -1.59 0.00 0.00 0.00 175.10 173.42 3i22 s LYS 38 N 2.07 2.28 0.00 2.72 -2.85 -1.23 -4.83 119.74 117.90 3i22 s LYS 38 Ca 0.15 -0.90 0.00 0.00 -1.00 0.00 0.00 55.97 54.23 3i22 s LYS 38 Cb -0.16 -2.35 0.00 0.00 -2.06 0.00 0.00 37.83 33.26 3i22 s LYS 38 CO 0.10 0.55 0.00 -3.47 0.10 0.00 0.00 175.35 172.63 3i22 n ASP 39 N 1.25 0.70 -0.18 0.03 2.03 -1.24 -3.38 116.55 115.76 3i22 n ASP 39 Ca -0.15 0.00 0.15 0.00 0.52 0.00 0.00 54.79 55.31 3i22 n ASP 39 Cb 0.52 0.00 0.78 0.00 -0.72 0.00 0.00 41.12 41.71 3i22 n ASP 39 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3i22 n LEU 40 N 0.00 0.56 0.10 -2.67 4.32 -1.25 -2.88 117.00 115.19 3i22 n LEU 40 Ca 0.00 -0.18 -0.05 0.00 -0.02 0.00 0.00 56.01 55.76 3i22 n LEU 40 Cb 0.00 -0.01 -0.02 0.00 -1.62 0.00 0.00 43.42 41.77 3i22 n LEU 40 CO 0.00 0.09 0.19 0.00 -1.22 0.00 0.00 177.39 176.45 3i22 h ALA 41 N 4.11 -0.44 -3.02 -1.18 0.00 -1.94 -3.42 119.26 113.37 3i22 h ALA 41 Ca 0.00 -0.07 -0.59 0.00 0.00 0.00 0.00 54.91 54.25 3i22 h ALA 41 Cb 0.19 0.12 -0.09 0.00 0.00 0.00 0.00 17.79 18.01 3i22 h ALA 41 CO 0.00 -0.42 -0.30 -0.80 0.00 0.00 0.00 179.25 177.73 3i22 s ASN 42 N -4.15 6.49 1.74 0.00 -0.87 -1.25 -4.82 114.94 112.08 3i22 s ASN 42 Ca -0.05 0.58 0.00 0.00 -1.57 0.00 0.00 52.86 51.82 3i22 s ASN 42 Cb 0.00 -2.19 0.00 0.00 -0.02 0.00 0.00 41.25 39.04 3i22 s ASN 42 CO 0.14 0.13 0.00 -0.67 -2.57 0.00 0.00 177.10 174.12 3i22 n ASP 43 N 3.34 0.00 0.00 -1.22 -0.08 -1.26 -4.02 116.55 113.31 3i22 n ASP 43 Ca -0.12 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.16 3i22 n ASP 43 Cb 0.52 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.98 3i22 n ASP 43 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3i22 n GLY 44 N 0.00 0.00 3.51 0.27 0.00 -1.24 -4.89 105.19 102.85 3i22 n GLY 44 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 3i22 n GLY 44 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3i22 s TYR 45 N 0.00 0.99 -0.35 1.61 1.13 -1.14 -4.77 117.35 114.83 3i22 s TYR 45 Ca 0.00 -1.26 -0.05 0.00 -1.41 0.00 0.00 57.07 54.36 3i22 s TYR 45 Cb 0.00 -0.01 0.06 0.00 -1.10 0.00 0.00 41.96 40.91 3i22 s TYR 45 CO 0.00 -1.17 0.11 1.03 -2.51 0.00 0.00 175.55 173.01 3i22 s ARG 46 N -3.00 2.44 0.11 -3.49 0.52 -1.26 -3.62 118.95 110.65 3i22 s ARG 46 Ca 0.29 -1.36 -0.01 0.00 -0.52 0.00 0.00 55.73 54.13 3i22 s ARG 46 Cb -0.01 -3.44 0.00 0.00 0.52 0.00 0.00 34.95 32.03 3i22 s ARG 46 CO 0.20 -0.77 0.16 0.00 0.02 0.00 0.00 175.30 174.91 3i22 n ALA 47 N 4.73 -0.14 -3.17 2.13 0.00 -1.22 -0.69 120.51 122.15 3i22 n ALA 47 Ca -0.10 -0.50 0.03 0.00 0.00 0.00 0.00 53.44 52.86 3i22 n ALA 47 Cb 0.43 0.40 -0.00 0.00 0.00 0.00 0.00 19.45 20.28 3i22 n ALA 47 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 3i22 s ILE 48 N -2.56 -0.97 0.52 0.00 2.07 -0.54 -3.56 121.20 116.16 3i22 s ILE 48 Ca 0.09 0.00 -0.23 0.00 -1.41 0.00 0.00 60.65 59.10 3i22 s ILE 48 Cb -0.00 -0.50 -0.06 0.00 0.13 0.00 0.00 42.46 42.03 3i22 s ILE 48 CO 0.06 0.00 1.40 -1.58 -1.91 0.00 0.00 174.94 172.91 3i22 s GLN 49 N 2.36 3.29 0.18 3.50 0.74 -1.22 -3.16 119.66 125.35 3i22 s GLN 49 Ca 0.13 2.33 -0.02 0.00 0.05 0.00 0.00 55.36 57.86 3i22 s GLN 49 Cb -0.07 -2.39 -0.04 0.00 1.10 0.00 0.00 33.01 31.62 3i22 s GLN 49 CO -0.17 -1.10 0.12 0.14 -0.55 0.00 0.00 175.29 173.73 3i22 s VAL 50 N -1.25 0.03 -0.13 1.34 -7.23 -0.52 -1.49 120.40 111.15 3i22 s VAL 50 Ca 0.68 -1.94 -0.05 0.00 -1.81 0.00 0.00 61.98 58.86 3i22 s VAL 50 Cb -0.42 -2.34 0.06 0.00 0.56 0.00 0.00 36.38 34.24 3i22 s VAL 50 CO 0.52 -0.15 0.28 -0.89 -0.31 0.00 0.00 175.10 174.54 3i22 s THR 51 N -4.12 -0.29 -0.03 5.32 2.01 -0.65 -2.34 115.64 115.55 3i22 s THR 51 Ca 0.33 0.22 -0.02 0.00 0.31 0.00 0.00 61.69 62.53 3i22 s THR 51 Cb 0.07 -0.45 -0.01 0.00 0.01 0.00 0.00 72.50 72.13 3i22 s THR 51 CO 0.09 0.09 -0.05 0.41 -0.69 0.00 0.00 174.62 174.47 3i22 n THR 52 N 4.93 0.22 0.00 -0.82 -1.04 -1.26 -2.35 114.28 113.96 3i22 n THR 52 Ca -0.13 0.45 0.00 0.00 -2.04 0.00 0.00 64.05 62.32 3i22 n THR 52 Cb 0.51 -1.63 0.00 0.00 -1.82 0.00 0.00 70.33 67.39 3i22 n THR 52 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i22 n GLY 53 N 1.54 -1.36 3.26 3.41 0.00 -1.26 -4.63 105.19 106.15 3i22 n GLY 53 Ca -0.02 -1.39 -0.29 0.00 0.00 0.00 0.00 46.02 44.33 3i22 n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i22 s ALA 54 N -3.20 1.91 0.06 4.61 0.00 -1.26 -3.92 121.76 119.95 3i22 s ALA 54 Ca 0.00 -1.01 0.05 0.00 0.00 0.00 0.00 51.96 51.00 3i22 s ALA 54 Cb 0.00 -0.47 -0.03 0.00 0.00 0.00 0.00 23.12 22.62 3i22 s ALA 54 CO 0.00 0.47 -0.14 0.21 0.00 0.00 0.00 175.76 176.30 3i22 s LYS 55 N -0.62 0.83 0.02 0.00 2.36 -1.26 -4.01 119.74 117.06 3i22 s LYS 55 Ca 0.09 -0.87 -0.30 0.00 -2.55 0.00 0.00 55.97 52.33 3i22 s LYS 55 Cb -0.09 -0.83 -0.04 0.00 -1.05 0.00 0.00 37.83 35.82 3i22 s LYS 55 CO -0.01 0.19 1.10 0.15 1.55 0.00 0.00 175.35 178.33 3i22 s LYS 56 N -1.52 4.48 0.10 4.03 1.02 -1.26 -4.64 119.74 121.95 3i22 s LYS 56 Ca -0.01 1.60 0.14 0.00 0.02 0.00 0.00 55.97 57.72 3i22 s LYS 56 Cb -0.09 -3.42 0.61 0.00 -0.52 0.00 0.00 37.83 34.42 3i22 s LYS 56 CO 0.02 -0.18 1.43 0.00 -0.92 0.00 0.00 175.35 175.69 3i22 n ALA 57 N 4.03 1.41 0.58 5.17 0.00 -1.26 -1.28 120.51 129.17 3i22 n ALA 57 Ca 0.08 0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.66 3i22 n ALA 57 Cb 0.48 -1.22 0.20 0.00 0.00 0.00 0.00 19.45 18.91 3i22 n ALA 57 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3i22 n ASN 58 N -1.76 0.71 -0.09 0.00 3.02 -1.26 -4.00 115.26 111.88 3i22 n ASN 58 Ca 0.02 0.17 0.01 0.00 -0.03 0.00 0.00 54.58 54.75 3i22 n ASN 58 Cb 0.12 0.06 0.01 0.00 -0.61 0.00 0.00 39.78 39.36 3i22 n ASN 58 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3i22 n ARG 59 N -2.12 -0.03 -3.11 3.52 5.12 -0.41 -4.98 116.66 114.65 3i22 n ARG 59 Ca 0.04 -0.60 -0.41 0.00 -1.93 0.00 0.00 57.85 54.95 3i22 n ARG 59 Cb 0.44 -1.01 -0.06 0.00 -1.16 0.00 0.00 32.46 30.66 3i22 n ARG 59 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3i22 s VAL 60 N -0.30 4.94 0.74 1.55 0.11 -0.79 -4.99 120.40 121.64 3i22 s VAL 60 Ca 0.03 0.87 -0.13 0.00 -2.93 0.00 0.00 61.98 59.81 3i22 s VAL 60 Cb 0.02 -4.00 0.04 0.00 -1.53 0.00 0.00 36.38 30.91 3i22 s VAL 60 CO 0.04 -0.14 1.12 0.42 -3.33 0.00 0.00 175.10 173.21 3i22 s THR 61 N 2.61 2.97 0.22 5.04 -4.23 -1.26 -4.62 115.64 116.38 3i22 s THR 61 Ca 0.25 0.40 -0.08 0.00 -1.18 0.00 0.00 61.69 61.08 3i22 s THR 61 Cb -0.15 -2.86 0.17 0.00 1.34 0.00 0.00 72.50 71.00 3i22 s THR 61 CO 0.12 -0.33 1.73 0.11 -0.54 0.00 0.00 174.62 175.70 3i22 h LYS 62 N -0.60 0.36 -0.42 3.99 6.56 -1.98 0.55 116.57 125.04 3i22 h LYS 62 Ca -0.45 -0.02 -0.01 0.00 -1.06 0.00 0.00 60.65 59.11 3i22 h LYS 62 Cb 1.25 -0.08 -0.02 0.00 -0.57 0.00 0.00 32.23 32.81 3i22 h LYS 62 CO 0.51 0.24 0.23 -1.35 -2.06 0.00 0.00 179.45 177.02 3i22 h PRO 63 N 0.37 0.56 0.40 3.15 0.11 -1.99 -1.05 132.00 133.55 3i22 h PRO 63 Ca 0.34 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.38 3i22 h PRO 63 Cb 0.47 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.47 3i22 h PRO 63 CO -0.36 0.41 -0.19 0.93 -0.21 0.00 0.00 178.00 178.57 3i22 h GLU 64 N 0.57 -0.52 -0.59 1.05 5.08 -1.27 -2.96 114.58 115.95 3i22 h GLU 64 Ca 0.15 0.04 0.17 0.00 -1.00 0.00 0.00 59.36 58.71 3i22 h GLU 64 Cb 0.00 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 3i22 h GLU 64 CO -0.03 -0.34 0.43 0.00 -1.00 0.00 0.00 179.01 178.07 3i22 h ALA 65 N -1.26 2.55 -0.25 3.43 0.00 0.03 0.10 119.26 123.87 3i22 h ALA 65 Ca -0.05 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 3i22 h ALA 65 Cb 0.41 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 3i22 h ALA 65 CO 0.09 -0.73 -0.21 0.78 0.00 0.00 0.00 179.25 179.18 3i22 h GLY 66 N 0.00 0.63 0.72 0.00 0.00 -1.27 -3.04 103.07 100.12 3i22 h GLY 66 Ca 0.28 -0.63 0.02 0.00 0.00 0.00 0.00 47.33 47.00 3i22 h GLY 66 CO -0.00 0.57 0.62 0.84 0.00 0.00 0.00 176.54 178.56 3i22 h HIS 67 N 0.29 0.00 -1.93 5.60 6.17 -0.60 0.85 115.15 125.53 3i22 h HIS 67 Ca 0.04 0.00 -0.79 0.00 0.71 0.00 0.00 60.37 60.34 3i22 h HIS 67 Cb 0.76 0.00 -0.22 0.00 2.52 0.00 0.00 27.41 30.46 3i22 h HIS 67 CO 0.07 0.00 1.47 1.19 0.71 0.00 0.00 177.93 181.37 3i22 n PHE 68 N -2.80 2.70 0.02 5.26 3.01 -1.15 -4.37 117.46 120.13 3i22 n PHE 68 Ca 0.00 -2.64 0.00 0.00 1.01 0.00 0.00 57.45 55.82 3i22 n PHE 68 Cb 0.67 -1.41 0.00 0.00 -0.01 0.00 0.00 39.48 38.73 3i22 n PHE 68 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3i22 n ALA 69 N 0.62 3.00 -0.30 4.37 0.00 0.29 -4.44 120.51 124.05 3i22 n ALA 69 Ca 0.51 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.92 3i22 n ALA 69 Cb 0.26 0.36 0.14 0.00 0.00 0.00 0.00 19.45 20.21 3i22 n ALA 69 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3i22 h LYS 70 N 0.00 1.18 -5.96 0.00 1.57 -1.77 -3.43 116.57 108.15 3i22 h LYS 70 Ca 0.00 -0.12 -0.56 0.00 -1.87 0.00 0.00 60.65 58.11 3i22 h LYS 70 Cb 0.60 -0.24 -0.06 0.00 0.08 0.00 0.00 32.23 32.61 3i22 h LYS 70 CO 0.00 0.84 -0.39 0.00 -0.57 0.00 0.00 179.45 179.33 3i22 s ALA 71 N -5.84 4.05 0.90 3.86 0.00 -1.26 -4.99 121.76 118.49 3i22 s ALA 71 Ca -0.12 -1.67 -0.12 0.00 0.00 0.00 0.00 51.96 50.04 3i22 s ALA 71 Cb 0.17 -0.67 0.07 0.00 0.00 0.00 0.00 23.12 22.68 3i22 s ALA 71 CO 0.82 -0.28 0.73 0.41 0.00 0.00 0.00 175.76 177.43 3i22 n GLY 72 N -1.52 -1.26 3.83 0.00 0.00 -1.26 -4.72 105.19 100.26 3i22 n GLY 72 Ca -0.01 -0.67 -0.32 0.00 0.00 0.00 0.00 46.02 45.02 3i22 n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i22 s VAL 73 N -2.38 4.94 0.00 1.61 0.11 -1.26 -4.73 120.40 118.69 3i22 s VAL 73 Ca 0.63 -0.44 0.00 0.00 -2.93 0.00 0.00 61.98 59.24 3i22 s VAL 73 Cb -0.24 -3.32 0.00 0.00 -1.53 0.00 0.00 36.38 31.29 3i22 s VAL 73 CO 0.62 0.26 0.00 1.21 -3.33 0.00 0.00 175.10 173.85 3i22 n GLU 74 N 0.81 0.00 0.00 1.54 2.13 -1.26 -5.12 120.64 118.74 3i22 n GLU 74 Ca -0.10 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.72 3i22 n GLU 74 Cb 0.52 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.23 3i22 n GLU 74 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3i22 n ALA 75 N 0.00 0.00 -0.12 4.31 0.00 -1.26 -4.77 120.51 118.67 3i22 n ALA 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i22 n ALA 75 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i22 n ALA 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i22 n GLY 76 N 0.00 -0.97 0.00 0.00 0.00 -1.26 -4.80 105.19 98.17 3i22 n GLY 76 Ca 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.93 3i22 n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i22 n ARG 77 N 1.37 0.00 0.00 1.61 1.74 -1.25 -4.69 116.66 115.44 3i22 n ARG 77 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3i22 n ARG 77 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 3i22 n ARG 77 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i22 n GLY 78 N -0.14 3.13 2.92 -0.13 0.00 -1.26 -4.98 105.19 104.73 3i22 n GLY 78 Ca 0.00 -0.52 -0.28 0.00 0.00 0.00 0.00 46.02 45.22 3i22 n GLY 78 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i22 s LEU 79 N 0.00 1.62 0.00 0.99 2.01 -1.26 -4.54 118.68 117.50 3i22 s LEU 79 Ca 0.00 -0.61 0.00 0.00 0.01 0.00 0.00 54.13 53.53 3i22 s LEU 79 Cb 0.00 -0.96 -0.00 0.00 0.01 0.00 0.00 46.19 45.24 3i22 s LEU 79 CO 0.00 -0.16 0.00 0.79 1.01 0.00 0.00 176.35 178.00 3i22 n TRP 80 N 4.86 1.14 -3.78 0.29 8.01 -0.99 -4.97 117.44 121.99 3i22 n TRP 80 Ca -0.13 -2.46 -0.13 0.00 -1.31 0.00 0.00 57.50 53.48 3i22 n TRP 80 Cb 0.48 -0.32 -0.11 0.00 -2.01 0.00 0.00 31.31 29.35 3i22 n TRP 80 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.69 174.68 3i22 s GLU 81 N -3.79 0.37 -0.21 -0.99 2.12 -1.26 -1.43 118.70 113.51 3i22 s GLU 81 Ca 0.00 0.25 -0.03 0.00 0.36 0.00 0.00 54.97 55.56 3i22 s GLU 81 Cb 0.00 0.18 0.07 0.00 0.26 0.00 0.00 34.13 34.63 3i22 s GLU 81 CO 0.00 -0.06 0.06 -0.06 -0.54 0.00 0.00 175.26 174.66 3i22 s PHE 82 N -0.14 0.92 0.31 5.30 0.08 -1.19 -4.98 117.98 118.27 3i22 s PHE 82 Ca -0.03 -0.86 -0.29 0.00 0.12 0.00 0.00 56.93 55.87 3i22 s PHE 82 Cb -0.03 -1.03 -0.10 0.00 -0.57 0.00 0.00 43.02 41.29 3i22 s PHE 82 CO 0.01 -0.64 1.35 1.03 -0.10 0.00 0.00 175.22 176.88 3i22 s ARG 83 N 1.89 4.32 0.18 0.44 1.81 -1.26 -1.46 118.95 124.87 3i22 s ARG 83 Ca 0.01 2.26 0.11 0.00 -1.72 0.00 0.00 55.73 56.39 3i22 s ARG 83 Cb -0.17 -3.08 -0.04 0.00 -0.45 0.00 0.00 34.95 31.21 3i22 s ARG 83 CO -0.12 -0.28 -0.21 -0.48 -0.68 0.00 0.00 175.30 173.53 3i22 s LEU 84 N -1.36 2.54 -0.65 2.53 0.05 0.13 -4.76 118.68 117.16 3i22 s LEU 84 Ca 0.52 -0.78 0.03 0.00 0.05 0.00 0.00 54.13 53.95 3i22 s LEU 84 Cb -0.41 -1.29 0.16 0.00 -2.05 0.00 0.00 46.19 42.60 3i22 s LEU 84 CO 0.50 0.13 0.43 0.00 -0.55 0.00 0.00 176.35 176.86 3i22 s ALA 85 N -1.59 3.65 -0.33 1.48 0.00 -1.26 -4.66 121.76 119.05 3i22 s ALA 85 Ca 0.21 -3.57 0.00 0.00 0.00 0.00 0.00 51.96 48.60 3i22 s ALA 85 Cb -0.08 -2.29 0.00 0.00 0.00 0.00 0.00 23.12 20.74 3i22 s ALA 85 CO 0.10 -2.08 0.00 0.39 0.00 0.00 0.00 175.76 174.18 3i22 n GLU 86 N 2.61 -0.90 -3.92 0.00 1.02 -1.26 -4.88 120.64 113.32 3i22 n GLU 86 Ca 0.13 0.43 -0.35 0.00 -0.02 0.00 0.00 57.16 57.35 3i22 n GLU 86 Cb 0.34 -4.23 -0.14 0.00 -0.02 0.00 0.00 31.44 27.40 3i22 n GLU 86 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3i22 s GLY 87 N -2.27 1.74 0.59 0.62 0.00 -1.26 -5.11 107.32 101.62 3i22 s GLY 87 Ca 0.00 -1.72 -0.06 0.00 0.00 0.00 0.00 44.72 42.95 3i22 s GLY 87 CO 0.00 0.67 0.90 -0.54 0.00 0.00 0.00 173.10 174.12 3i22 s GLU 88 N 1.26 2.95 -0.18 2.90 2.02 -1.26 -4.93 118.70 121.46 3i22 s GLU 88 Ca -0.05 0.01 -0.22 0.00 0.02 0.00 0.00 54.97 54.73 3i22 s GLU 88 Cb -0.19 -2.28 0.06 0.00 0.10 0.00 0.00 34.13 31.82 3i22 s GLU 88 CO -0.02 -0.67 0.60 -1.21 0.02 0.00 0.00 175.26 173.98 3i22 s GLU 89 N -4.98 0.77 0.37 1.61 2.02 -1.26 -5.16 118.70 112.08 3i22 s GLU 89 Ca 0.54 0.67 -0.28 0.00 0.02 0.00 0.00 54.97 55.92 3i22 s GLU 89 Cb -0.11 0.37 -0.10 0.00 0.10 0.00 0.00 34.13 34.39 3i22 s GLU 89 CO 0.45 -0.13 1.38 -0.06 0.02 0.00 0.00 175.26 176.92 3i22 s PHE 90 N -0.06 2.78 -2.00 1.61 0.08 -1.26 -4.86 117.98 114.28 3i22 s PHE 90 Ca -0.03 1.31 0.03 0.00 0.12 0.00 0.00 56.93 58.36 3i22 s PHE 90 Cb -0.04 -3.83 0.15 0.00 -0.57 0.00 0.00 43.02 38.74 3i22 s PHE 90 CO 0.03 -2.42 0.66 -2.37 -0.10 0.00 0.00 175.22 171.02 3i22 n THR 91 N 0.47 0.00 -4.20 0.64 5.66 -1.26 -4.56 114.28 111.03 3i22 n THR 91 Ca 0.01 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.75 3i22 n THR 91 Cb 0.41 -0.31 -0.08 0.00 -1.55 0.00 0.00 70.33 68.80 3i22 n THR 91 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3i22 s VAL 92 N -2.00 3.75 -0.92 1.08 0.11 -1.26 -4.17 120.40 116.99 3i22 s VAL 92 Ca 0.04 -1.38 -0.19 0.00 -2.93 0.00 0.00 61.98 57.52 3i22 s VAL 92 Cb 0.02 -2.88 -0.25 0.00 -1.53 0.00 0.00 36.38 31.74 3i22 s VAL 92 CO 0.03 -0.09 2.37 0.61 -3.33 0.00 0.00 175.10 174.69 3i22 n GLY 93 N -0.05 -0.38 2.78 6.54 0.00 -1.23 -4.47 105.19 108.38 3i22 n GLY 93 Ca -0.10 0.43 -0.38 0.00 0.00 0.00 0.00 46.02 45.97 3i22 n GLY 93 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3i22 n GLN 94 N 7.16 2.77 0.00 1.61 7.27 -1.26 -4.77 117.38 130.15 3i22 n GLN 94 Ca 0.62 -3.51 0.00 0.00 0.07 0.00 0.00 57.00 54.18 3i22 n GLN 94 Cb 0.19 -2.27 0.00 0.00 2.41 0.00 0.00 30.24 30.57 3i22 n GLN 94 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 3i22 n SER 95 N -0.62 0.00 -4.41 1.69 7.64 -1.26 -4.80 113.62 111.86 3i22 n SER 95 Ca 0.55 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 60.09 3i22 n SER 95 Cb 0.33 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.40 3i22 n SER 95 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3i22 s ILE 96 N 0.00 3.57 0.78 0.44 1.01 -1.14 -4.91 121.20 120.95 3i22 s ILE 96 Ca 0.00 -0.46 -0.10 0.00 0.00 0.00 0.00 60.65 60.10 3i22 s ILE 96 Cb 0.00 -2.58 0.09 0.00 0.01 0.00 0.00 42.46 39.98 3i22 s ILE 96 CO 0.00 0.47 1.12 -0.44 0.00 0.00 0.00 174.94 176.09 3i22 s SER 97 N 0.79 4.45 0.24 3.58 0.01 -1.26 -2.35 113.70 119.16 3i22 s SER 97 Ca -0.02 0.52 0.19 0.00 1.31 0.00 0.00 55.95 57.95 3i22 s SER 97 Cb -0.15 -1.02 0.92 0.00 0.21 0.00 0.00 66.02 65.99 3i22 s SER 97 CO 0.02 -1.88 1.59 1.33 0.41 0.00 0.00 173.24 174.70 3i22 n VAL 98 N -3.18 1.08 -0.13 3.43 0.24 -1.26 -2.89 118.33 115.61 3i22 n VAL 98 Ca 0.09 0.49 0.13 0.00 -2.04 0.00 0.00 64.34 63.02 3i22 n VAL 98 Cb 0.61 -1.45 0.25 0.00 -1.47 0.00 0.00 33.84 31.77 3i22 n VAL 98 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 3i22 n GLU 99 N -2.10 -0.03 -0.27 7.34 0.28 -1.26 0.10 120.64 124.70 3i22 n GLU 99 Ca 0.00 0.58 -0.00 0.00 -0.16 0.00 0.00 57.16 57.58 3i22 n GLU 99 Cb 0.11 -1.04 0.03 0.00 1.43 0.00 0.00 31.44 31.98 3i22 n GLU 99 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 3i22 n LEU 100 N -3.95 -0.44 -3.21 -1.84 -0.00 -1.14 -2.41 117.00 104.01 3i22 n LEU 100 Ca 0.16 1.21 -0.37 0.00 -0.00 0.00 0.00 56.01 57.01 3i22 n LEU 100 Cb 0.54 -0.28 -0.04 0.00 -0.00 0.00 0.00 43.42 43.63 3i22 n LEU 100 CO 0.00 -1.09 3.26 0.49 -0.00 0.00 0.00 177.39 180.05 3i22 n PHE 101 N -5.03 2.22 0.00 1.96 3.01 0.11 -4.70 117.46 115.04 3i22 n PHE 101 Ca 0.07 -2.95 0.00 0.00 1.01 0.00 0.00 57.45 55.58 3i22 n PHE 101 Cb 0.28 -2.41 0.00 0.00 -0.01 0.00 0.00 39.48 37.34 3i22 n PHE 101 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3i22 n ALA 102 N 3.52 0.00 0.57 4.37 0.00 -1.01 -4.22 120.51 123.74 3i22 n ALA 102 Ca 0.75 0.00 0.07 0.00 0.00 0.00 0.00 53.44 54.27 3i22 n ALA 102 Cb 0.27 0.00 0.34 0.00 0.00 0.00 0.00 19.45 20.06 3i22 n ALA 102 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3i22 n ASP 103 N 0.00 0.00 -4.62 0.00 8.00 -1.26 -4.72 116.55 113.95 3i22 n ASP 103 Ca 0.00 0.39 -0.43 0.00 0.71 0.00 0.00 54.79 55.46 3i22 n ASP 103 Cb 0.00 -0.44 -0.03 0.00 -0.02 0.00 0.00 41.12 40.63 3i22 n ASP 103 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3i22 s VAL 104 N -2.89 3.45 0.00 2.53 1.01 -1.26 -4.81 120.40 118.43 3i22 s VAL 104 Ca 0.09 0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.57 3i22 s VAL 104 Cb 0.10 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 33.00 3i22 s VAL 104 CO 0.26 -0.22 0.81 0.29 0.00 0.00 0.00 175.10 176.24 3i22 n LYS 105 N 7.94 1.53 0.00 2.72 5.02 -1.26 -4.85 118.16 129.26 3i22 n LYS 105 Ca 0.21 -1.12 0.00 0.00 -2.02 0.00 0.00 58.31 55.39 3i22 n LYS 105 Cb 0.45 -0.98 0.00 0.00 -0.02 0.00 0.00 35.03 34.47 3i22 n LYS 105 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3i22 n LYS 106 N -0.31 0.00 -0.09 1.97 4.01 -1.26 -2.94 118.16 119.54 3i22 n LYS 106 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 3i22 n LYS 106 Cb 0.17 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.69 3i22 n LYS 106 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 3i22 n VAL 107 N 0.00 -0.86 -0.10 -0.18 0.31 -1.26 -3.05 118.33 113.19 3i22 n VAL 107 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.16 3i22 n VAL 107 Cb 0.00 -0.86 -0.07 0.00 -0.91 0.00 0.00 33.84 32.00 3i22 n VAL 107 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3i22 n ASP 108 N -0.26 1.89 -2.14 4.52 10.43 0.36 -3.81 116.55 127.54 3i22 n ASP 108 Ca 0.00 0.44 -0.03 0.00 2.57 0.00 0.00 54.79 57.77 3i22 n ASP 108 Cb 0.00 -0.86 -0.02 0.00 1.84 0.00 0.00 41.12 42.07 3i22 n ASP 108 CO 0.00 0.00 0.00 0.52 -1.07 0.00 0.00 177.20 176.65 3i22 n VAL 109 N -4.44 -9.74 -4.04 2.53 0.31 -1.24 -2.30 118.33 99.42 3i22 n VAL 109 Ca -0.28 1.97 -0.29 0.00 -0.01 0.00 0.00 64.34 65.72 3i22 n VAL 109 Cb 0.60 -5.44 -0.06 0.00 -0.91 0.00 0.00 33.84 28.04 3i22 n VAL 109 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3i22 s THR 110 N -0.43 4.66 0.30 2.52 2.01 0.87 -1.35 115.64 124.21 3i22 s THR 110 Ca -0.14 -0.78 -0.07 0.00 0.31 0.00 0.00 61.69 61.00 3i22 s THR 110 Cb 0.01 -3.28 0.00 0.00 0.01 0.00 0.00 72.50 69.24 3i22 s THR 110 CO 0.38 0.07 0.47 -0.83 -0.69 0.00 0.00 174.62 174.02 3i22 s GLY 111 N -2.59 1.04 0.00 4.40 0.00 -1.20 -0.86 107.32 108.10 3i22 s GLY 111 Ca 0.30 -1.23 0.00 0.00 0.00 0.00 0.00 44.72 43.80 3i22 s GLY 111 CO 0.23 -0.84 0.00 2.41 0.00 0.00 0.00 173.10 174.90 3i22 n THR 112 N -0.47 0.00 -3.69 0.90 -1.04 -1.26 -4.23 114.28 104.49 3i22 n THR 112 Ca -0.01 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 62.03 3i22 n THR 112 Cb 0.62 -0.08 0.00 0.00 -1.82 0.00 0.00 70.33 69.05 3i22 n THR 112 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 3i22 s SER 113 N -1.16 -0.02 0.71 8.00 0.15 -1.26 -3.74 113.70 116.38 3i22 s SER 113 Ca 0.00 -0.09 -0.15 0.00 0.70 0.00 0.00 55.95 56.41 3i22 s SER 113 Cb 0.00 0.09 0.03 0.00 -1.71 0.00 0.00 66.02 64.43 3i22 s SER 113 CO 0.00 -0.17 1.19 -1.59 1.20 0.00 0.00 173.24 173.87 3i22 s LYS 114 N -2.18 2.29 -0.87 5.44 -2.85 -1.25 -4.48 119.74 115.85 3i22 s LYS 114 Ca 0.19 1.70 0.01 0.00 -1.00 0.00 0.00 55.97 56.86 3i22 s LYS 114 Cb 0.05 -1.86 0.32 0.00 -2.06 0.00 0.00 37.83 34.28 3i22 s LYS 114 CO -0.04 -1.70 1.47 0.41 0.10 0.00 0.00 175.35 175.59 3i22 n GLY 115 N 0.24 5.85 0.19 0.59 0.00 -1.26 0.52 105.19 111.31 3i22 n GLY 115 Ca 0.13 -2.66 -0.09 0.00 0.00 0.00 0.00 46.02 43.39 3i22 n GLY 115 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i22 h LYS 116 N 3.90 0.43 0.00 1.61 1.79 -1.87 -3.49 116.57 118.95 3i22 h LYS 116 Ca 0.37 -0.32 0.33 0.00 -2.18 0.00 0.00 60.65 58.84 3i22 h LYS 116 Cb 0.41 0.06 -0.08 0.00 -1.58 0.00 0.00 32.23 31.04 3i22 h LYS 116 CO 1.06 0.94 -0.43 0.41 -1.08 0.00 0.00 179.45 180.35 3i22 n GLY 117 N 0.43 -1.83 4.93 3.86 0.00 -1.10 -4.65 105.19 106.83 3i22 n GLY 117 Ca -0.04 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.82 3i22 n GLY 117 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3i22 n PHE 118 N -3.78 0.00 0.00 1.61 1.16 -1.26 -3.90 117.46 111.29 3i22 n PHE 118 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.59 3i22 n PHE 118 Cb 0.54 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.41 3i22 n PHE 118 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3i22 n ALA 119 N 0.00 0.00 -1.25 1.98 0.00 -1.26 -0.94 120.51 119.04 3i22 n ALA 119 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 3i22 n ALA 119 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 3i22 n ALA 119 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i22 n GLY 120 N 0.00 -2.42 2.34 0.00 0.00 -1.26 -4.03 105.19 99.82 3i22 n GLY 120 Ca 0.00 -0.62 -0.21 0.00 0.00 0.00 0.00 46.02 45.19 3i22 n GLY 120 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3i22 n THR 121 N -3.33 0.00 0.00 2.61 -1.04 -1.26 -2.62 114.28 108.64 3i22 n THR 121 Ca -0.04 -0.21 0.00 0.00 -2.04 0.00 0.00 64.05 61.77 3i22 n THR 121 Cb 0.41 -0.98 0.00 0.00 -1.82 0.00 0.00 70.33 67.94 3i22 n THR 121 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3i22 n VAL 122 N -4.47 0.00 0.26 12.58 0.31 -1.26 -3.71 118.33 122.04 3i22 n VAL 122 Ca 0.10 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.55 3i22 n VAL 122 Cb 0.41 0.00 0.72 0.00 -0.91 0.00 0.00 33.84 34.07 3i22 n VAL 122 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 3i22 h LYS 123 N 0.00 0.00 0.00 5.55 3.64 -1.80 0.31 116.57 124.26 3i22 h LYS 123 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3i22 h LYS 123 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3i22 h LYS 123 CO 0.00 0.10 -0.07 -0.09 -2.27 0.00 0.00 179.45 177.12 3i22 h ARG 124 N 0.00 0.00 -0.48 1.90 2.43 -1.58 -3.44 114.38 113.21 3i22 h ARG 124 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3i22 h ARG 124 Cb 0.23 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 3i22 h ARG 124 CO 0.01 0.00 0.00 0.91 -1.51 0.00 0.00 179.97 179.38 3i22 n TRP 125 N -2.66 0.98 -3.47 2.20 7.02 -1.23 -4.98 117.44 115.31 3i22 n TRP 125 Ca -0.01 -0.62 -0.21 0.00 -1.02 0.00 0.00 57.50 55.65 3i22 n TRP 125 Cb 0.04 -0.16 0.06 0.00 -2.42 0.00 0.00 31.31 28.82 3i22 n TRP 125 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 3i22 n ASN 126 N 0.65 -4.64 -4.44 -0.99 5.03 0.10 -4.79 115.26 106.16 3i22 n ASN 126 Ca 0.20 -0.80 -0.41 0.00 0.87 0.00 0.00 54.58 54.44 3i22 n ASN 126 Cb 0.71 -4.50 -0.11 0.00 -1.02 0.00 0.00 39.78 34.86 3i22 n ASN 126 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 3i22 s PHE 127 N -3.46 3.23 0.12 3.10 2.99 -1.26 -4.87 117.98 117.83 3i22 s PHE 127 Ca 0.32 -0.63 -0.35 0.00 0.00 0.00 0.00 56.93 56.27 3i22 s PHE 127 Cb -0.07 -2.49 -0.17 0.00 0.00 0.00 0.00 43.02 40.30 3i22 s PHE 127 CO 0.78 -0.54 1.21 0.54 -0.00 0.00 0.00 175.22 177.22 3i22 n ARG 128 N 5.07 1.02 -1.60 0.44 1.74 -1.26 -4.28 116.66 117.79 3i22 n ARG 128 Ca -0.12 0.36 -0.39 0.00 -0.77 0.00 0.00 57.85 56.94 3i22 n ARG 128 Cb 0.48 -1.91 0.04 0.00 -1.02 0.00 0.00 32.46 30.04 3i22 n ARG 128 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3i22 n THR 129 N 1.90 3.09 -1.76 0.55 -1.04 -1.26 -4.97 114.28 110.79 3i22 n THR 129 Ca 0.17 -0.50 -0.31 0.00 -2.04 0.00 0.00 64.05 61.37 3i22 n THR 129 Cb 0.21 -1.10 0.03 0.00 -1.82 0.00 0.00 70.33 67.65 3i22 n THR 129 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 3i22 s GLN 130 N -2.43 3.15 0.02 -2.82 -0.21 -0.42 -4.94 119.66 112.00 3i22 s GLN 130 Ca 0.71 1.00 -0.38 0.00 0.02 0.00 0.00 55.36 56.70 3i22 s GLN 130 Cb -0.46 -2.02 -0.18 0.00 1.00 0.00 0.00 33.01 31.35 3i22 s GLN 130 CO 0.51 -0.93 1.29 -0.40 -2.12 0.00 0.00 175.29 173.64 3i22 n ASP 131 N -2.75 1.14 0.10 5.90 3.85 -1.26 -4.76 116.55 118.78 3i22 n ASP 131 Ca 0.08 1.13 -0.15 0.00 -0.71 0.00 0.00 54.79 55.13 3i22 n ASP 131 Cb 0.53 -1.09 -0.14 0.00 -1.35 0.00 0.00 41.12 39.08 3i22 n ASP 131 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3i22 h ALA 132 N 4.24 0.11 -3.00 2.12 0.00 -1.92 -3.46 119.26 117.35 3i22 h ALA 132 Ca -0.49 -0.88 0.00 0.00 0.00 0.00 0.00 54.91 53.54 3i22 h ALA 132 Cb 1.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.16 3i22 h ALA 132 CO 0.75 0.98 0.00 -2.37 0.00 0.00 0.00 179.25 178.62 3i22 n THR 133 N -3.53 0.00 -3.11 0.00 5.66 -1.26 -4.87 114.28 107.17 3i22 n THR 133 Ca -0.08 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.74 3i22 n THR 133 Cb 1.02 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 69.82 3i22 n THR 133 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 3i22 n HIS 134 N 0.00 -2.96 0.00 1.09 -0.00 -1.26 -4.02 115.22 108.07 3i22 n HIS 134 Ca 0.00 1.23 0.00 0.00 -0.00 0.00 0.00 57.72 58.95 3i22 n HIS 134 Cb 0.00 -2.96 0.00 0.00 -0.00 0.00 0.00 29.99 27.03 3i22 n HIS 134 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3i22 n GLY 135 N -0.02 0.33 1.45 -1.41 0.00 -1.26 -4.94 105.19 99.35 3i22 n GLY 135 Ca 0.02 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.71 3i22 n GLY 135 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3i22 n ASN 136 N 7.38 -2.11 -3.79 1.61 5.15 -1.26 -4.97 115.26 117.28 3i22 n ASN 136 Ca 0.00 0.82 -0.28 0.00 -0.60 0.00 0.00 54.58 54.52 3i22 n ASN 136 Cb 0.00 -2.34 -0.16 0.00 -0.53 0.00 0.00 39.78 36.75 3i22 n ASN 136 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 3i22 s SER 137 N -1.87 3.19 -1.21 1.20 0.01 -1.26 -4.88 113.70 108.88 3i22 s SER 137 Ca 0.00 -0.93 -0.11 0.00 1.31 0.00 0.00 55.95 56.22 3i22 s SER 137 Cb 0.00 -0.76 -0.01 0.00 0.21 0.00 0.00 66.02 65.46 3i22 s SER 137 CO 0.00 -0.29 0.72 0.18 0.41 0.00 0.00 173.24 174.26 3i22 n LEU 138 N 4.94 -3.09 -2.72 2.44 7.99 -1.26 -4.95 117.00 120.35 3i22 n LEU 138 Ca -0.10 -0.94 -0.04 0.00 -0.01 0.00 0.00 56.01 54.93 3i22 n LEU 138 Cb 0.46 -2.51 0.03 0.00 -0.11 0.00 0.00 43.42 41.28 3i22 n LEU 138 CO 0.14 0.41 0.30 -1.20 -1.51 0.00 0.00 177.39 175.53 3i22 n SER 139 N -2.88 -2.51 -0.04 -1.43 7.64 -1.26 -4.98 113.62 108.16 3i22 n SER 139 Ca -0.18 -2.11 -0.09 0.00 1.01 0.00 0.00 58.87 57.50 3i22 n SER 139 Cb 0.63 1.30 -0.03 0.00 -1.01 0.00 0.00 64.21 65.10 3i22 n SER 139 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3i22 n HIS 140 N 2.62 0.00 -0.61 1.43 8.25 -1.26 -4.53 115.22 121.12 3i22 n HIS 140 Ca 0.14 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.68 3i22 n HIS 140 Cb 0.61 -0.32 0.27 0.00 1.12 0.00 0.00 29.99 31.68 3i22 n HIS 140 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3i22 n ARG 141 N -3.45 3.29 -3.29 -0.41 1.74 -1.26 -1.30 116.66 111.99 3i22 n ARG 141 Ca -0.17 -2.65 -0.31 0.00 -0.77 0.00 0.00 57.85 53.96 3i22 n ARG 141 Cb 0.59 -1.71 -0.04 0.00 -1.02 0.00 0.00 32.46 30.27 3i22 n ARG 141 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3i22 s VAL 142 N -1.92 4.91 0.02 1.55 -7.23 -1.26 -4.62 120.40 111.85 3i22 s VAL 142 Ca 0.41 0.42 -0.14 0.00 -1.81 0.00 0.00 61.98 60.86 3i22 s VAL 142 Cb 0.28 -3.66 -0.08 0.00 0.56 0.00 0.00 36.38 33.47 3i22 s VAL 142 CO 0.17 -0.22 1.10 -0.65 -0.31 0.00 0.00 175.10 175.20 3i22 h PRO 143 N 2.09 -0.48 -2.11 4.82 0.11 -1.96 -3.45 132.00 131.01 3i22 h PRO 143 Ca -0.47 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3i22 h PRO 143 Cb 1.18 0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3i22 h PRO 143 CO 0.67 -0.32 -0.35 0.41 -0.21 0.00 0.00 178.00 178.21 3i22 n GLY 144 N -0.95 -4.24 2.45 -0.55 0.00 -1.26 -4.99 105.19 95.65 3i22 n GLY 144 Ca -0.06 -0.60 -0.02 0.00 0.00 0.00 0.00 46.02 45.34 3i22 n GLY 144 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3i22 n SER 145 N 0.58 -4.56 -0.67 1.61 2.88 -1.26 -4.96 113.62 107.25 3i22 n SER 145 Ca 0.00 1.14 0.08 0.00 -1.33 0.00 0.00 58.87 58.76 3i22 n SER 145 Cb 0.00 -4.51 0.09 0.00 -0.75 0.00 0.00 64.21 59.04 3i22 n SER 145 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 3i22 n ILE 146 N 0.88 0.17 0.00 2.46 -5.35 -1.26 -4.95 119.36 111.30 3i22 n ILE 146 Ca -0.13 -0.58 0.00 0.00 -0.27 0.00 0.00 62.75 61.76 3i22 n ILE 146 Cb 0.20 1.18 0.00 0.00 -1.74 0.00 0.00 39.64 39.29 3i22 n ILE 146 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i22 n GLY 147 N 0.88 3.62 0.00 3.28 0.00 -1.26 -4.63 105.19 107.08 3i22 n GLY 147 Ca 0.10 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3i22 n GLY 147 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i22 n GLN 148 N 0.00 0.00 -3.64 1.61 0.00 -1.26 -5.15 117.38 108.95 3i22 n GLN 148 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 57.00 56.92 3i22 n GLN 148 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 30.24 30.17 3i22 n GLN 148 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 3i22 s ASN 149 N 1.41 -0.37 0.00 2.61 2.47 -1.26 -5.06 114.94 114.73 3i22 s ASN 149 Ca 0.00 0.69 0.00 0.00 0.42 0.00 0.00 52.86 53.97 3i22 s ASN 149 Cb 0.00 0.70 0.00 0.00 -1.45 0.00 0.00 41.25 40.50 3i22 s ASN 149 CO 0.00 -0.14 0.00 1.67 -3.72 0.00 0.00 177.10 174.91 3i22 n GLN 150 N 1.98 0.00 -0.03 0.43 -0.06 -1.26 -3.47 117.38 114.97 3i22 n GLN 150 Ca -0.12 0.00 -0.01 0.00 -2.00 0.00 0.00 57.00 54.87 3i22 n GLN 150 Cb 0.56 0.00 -0.01 0.00 -4.06 0.00 0.00 30.24 26.73 3i22 n GLN 150 CO 0.00 0.00 0.00 2.41 -0.20 0.00 0.00 177.06 179.27 3i22 n THR 151 N 0.00 -0.05 0.40 1.69 -1.04 -1.26 -0.20 114.28 113.83 3i22 n THR 151 Ca 0.00 0.88 -0.19 0.00 -2.04 0.00 0.00 64.05 62.71 3i22 n THR 151 Cb 0.00 -1.16 -0.09 0.00 -1.82 0.00 0.00 70.33 67.26 3i22 n THR 151 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 3i22 h PRO 152 N 0.00 -0.97 -1.53 -2.82 0.11 -1.98 -3.45 132.00 121.35 3i22 h PRO 152 Ca 0.01 0.07 -0.32 0.00 0.11 0.00 0.00 66.00 65.87 3i22 h PRO 152 Cb 0.03 0.22 -0.07 0.00 0.11 0.00 0.00 31.00 31.29 3i22 h PRO 152 CO -0.07 -0.65 -0.35 0.41 -0.21 0.00 0.00 178.00 177.13 3i22 n GLY 153 N -1.53 0.64 3.60 -0.55 0.00 0.73 -4.96 105.19 103.12 3i22 n GLY 153 Ca -0.14 -0.24 -0.10 0.00 0.00 0.00 0.00 46.02 45.53 3i22 n GLY 153 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i22 s LYS 154 N -4.09 0.58 -0.13 1.61 -2.85 -1.26 -5.06 119.74 108.54 3i22 s LYS 154 Ca 0.00 0.32 -0.29 0.00 -1.00 0.00 0.00 55.97 54.99 3i22 s LYS 154 Cb 0.00 0.28 -0.01 0.00 -2.06 0.00 0.00 37.83 36.03 3i22 s LYS 154 CO 0.00 -0.15 1.12 0.08 0.10 0.00 0.00 175.35 176.51 3i22 s VAL 155 N -0.62 4.50 0.77 1.79 1.01 -1.26 -4.85 120.40 121.74 3i22 s VAL 155 Ca -0.00 1.80 -0.14 0.00 0.00 0.00 0.00 61.98 63.64 3i22 s VAL 155 Cb -0.02 -4.16 0.06 0.00 0.00 0.00 0.00 36.38 32.26 3i22 s VAL 155 CO -0.01 -0.06 1.22 -0.36 0.00 0.00 0.00 175.10 175.89 3i22 s PHE 156 N 2.61 1.85 -0.07 5.22 0.08 -1.26 -4.93 117.98 121.48 3i22 s PHE 156 Ca 0.51 1.63 -0.30 0.00 0.12 0.00 0.00 56.93 58.90 3i22 s PHE 156 Cb -0.20 -3.53 -0.06 0.00 -0.57 0.00 0.00 43.02 38.66 3i22 s PHE 156 CO 0.16 -2.88 1.75 0.15 -0.10 0.00 0.00 175.22 174.30 3i22 s LYS 157 N -3.98 4.05 0.00 0.44 -0.14 -1.26 -3.17 119.74 115.68 3i22 s LYS 157 Ca 0.75 2.19 0.00 0.00 -1.36 0.00 0.00 55.97 57.55 3i22 s LYS 157 Cb -0.31 -4.05 0.00 0.00 -1.68 0.00 0.00 37.83 31.79 3i22 s LYS 157 CO 0.48 -1.02 0.00 0.41 -0.76 0.00 0.00 175.35 174.47 3i22 n GLY 158 N 4.40 1.37 3.73 -3.33 0.00 -1.26 -5.10 105.19 105.00 3i22 n GLY 158 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 3i22 n GLY 158 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i22 s LYS 159 N -0.20 4.57 -0.34 1.61 -0.14 -1.19 -4.99 119.74 119.06 3i22 s LYS 159 Ca 0.00 1.67 -0.29 0.00 -1.36 0.00 0.00 55.97 55.99 3i22 s LYS 159 Cb 0.00 -3.32 -0.00 0.00 -1.68 0.00 0.00 37.83 32.83 3i22 s LYS 159 CO 0.00 0.02 1.45 0.15 -0.76 0.00 0.00 175.35 176.20 3i22 s LYS 160 N 0.06 3.68 -0.47 1.68 1.02 -1.26 -4.90 119.74 119.55 3i22 s LYS 160 Ca 0.51 1.18 0.06 0.00 0.02 0.00 0.00 55.97 57.74 3i22 s LYS 160 Cb -0.28 -4.00 0.29 0.00 -0.52 0.00 0.00 37.83 33.32 3i22 s LYS 160 CO 0.33 -1.43 1.02 0.00 -0.92 0.00 0.00 175.35 174.35 3i22 n MET 161 N 7.83 0.93 -1.32 1.68 0.00 -1.26 -5.05 117.12 119.94 3i22 n MET 161 Ca 0.17 -1.93 0.00 0.00 0.00 0.00 0.00 57.70 55.94 3i22 n MET 161 Cb 0.47 -1.20 0.00 0.00 0.00 0.00 0.00 33.22 32.49 3i22 n MET 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3i22 n ALA 162 N 0.80 -1.96 0.00 3.17 0.00 -1.26 -4.97 120.51 116.28 3i22 n ALA 162 Ca 0.08 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.88 3i22 n ALA 162 Cb 0.67 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.89 3i22 n ALA 162 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i22 n GLY 163 N -0.63 3.34 0.48 0.00 0.00 -1.04 -4.84 105.19 102.50 3i22 n GLY 163 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.60 3i22 n GLY 163 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3i22 n GLN 164 N 0.00 -0.19 -3.71 1.61 -0.06 -0.12 -4.62 117.38 110.29 3i22 n GLN 164 Ca 0.00 0.18 -0.21 0.00 -2.00 0.00 0.00 57.00 54.97 3i22 n GLN 164 Cb 0.00 -0.13 -0.04 0.00 -4.06 0.00 0.00 30.24 26.01 3i22 n GLN 164 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3i22 s MET 165 N 0.00 2.52 0.40 3.69 0.23 -1.25 -4.83 119.30 120.07 3i22 s MET 165 Ca 0.00 -1.52 0.00 0.00 -1.03 0.00 0.00 55.69 53.14 3i22 s MET 165 Cb 0.00 -2.34 0.00 0.00 -1.53 0.00 0.00 34.83 30.96 3i22 s MET 165 CO 0.00 -0.11 0.00 0.41 -2.03 0.00 0.00 175.02 173.29 3i22 n GLY 166 N -1.45 -2.20 2.57 3.16 0.00 -1.26 -2.73 105.19 103.28 3i22 n GLY 166 Ca 0.02 -1.13 -0.12 0.00 0.00 0.00 0.00 46.02 44.79 3i22 n GLY 166 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3i22 n ASN 167 N -4.32 -3.26 0.00 1.61 5.15 0.18 -4.74 115.26 109.88 3i22 n ASN 167 Ca -0.01 -0.34 0.00 0.00 -0.60 0.00 0.00 54.58 53.63 3i22 n ASN 167 Cb 0.68 -3.19 0.00 0.00 -0.53 0.00 0.00 39.78 36.73 3i22 n ASN 167 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 3i22 n GLU 168 N -2.99 0.00 0.00 1.20 -0.00 -1.26 -4.94 120.64 112.64 3i22 n GLU 168 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.07 3i22 n GLU 168 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 32.01 3i22 n GLU 168 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 3i22 n ARG 169 N 0.00 0.00 -1.29 3.44 0.63 -1.25 -4.62 116.66 113.58 3i22 n ARG 169 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3i22 n ARG 169 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 3i22 n ARG 169 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 3i22 n VAL 170 N 0.00 -1.83 -1.55 5.15 0.24 -1.26 -4.30 118.33 114.78 3i22 n VAL 170 Ca 0.00 0.86 0.00 0.00 -2.04 0.00 0.00 64.34 63.16 3i22 n VAL 170 Cb 0.00 -1.29 0.00 0.00 -1.47 0.00 0.00 33.84 31.08 3i22 n VAL 170 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3i22 n THR 171 N -1.63 0.00 -1.78 3.34 -2.24 -1.26 -3.27 114.28 107.43 3i22 n THR 171 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3i22 n THR 171 Cb 0.11 -0.41 0.00 0.00 -2.10 0.00 0.00 70.33 67.92 3i22 n THR 171 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3i22 n VAL 172 N 0.00 0.00 -1.56 2.28 0.31 -0.46 -4.89 118.33 114.01 3i22 n VAL 172 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3i22 n VAL 172 Cb 0.00 0.43 0.00 0.00 -0.91 0.00 0.00 33.84 33.36 3i22 n VAL 172 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i22 n GLN 173 N 0.00 0.00 -0.22 5.55 1.13 -0.97 -3.58 117.38 119.29 3i22 n GLN 173 Ca 0.00 0.00 0.09 0.00 -1.94 0.00 0.00 57.00 55.15 3i22 n GLN 173 Cb 0.58 0.00 0.17 0.00 0.11 0.00 0.00 30.24 31.11 3i22 n GLN 173 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 3i22 n SER 174 N -1.19 -0.09 0.00 1.08 7.64 -1.26 -3.89 113.62 115.91 3i22 n SER 174 Ca 0.00 1.07 0.00 0.00 1.01 0.00 0.00 58.87 60.95 3i22 n SER 174 Cb 0.00 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.82 3i22 n SER 174 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3i22 n LEU 175 N -4.85 0.00 0.00 -3.43 4.77 -1.23 -4.22 117.00 108.04 3i22 n LEU 175 Ca 0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 3i22 n LEU 175 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 3i22 n LEU 175 CO -0.05 0.00 0.00 -0.67 -1.33 0.00 0.00 177.39 175.34 3i22 n ASP 176 N -2.47 0.00 -4.93 -1.43 -0.08 -1.17 -4.89 116.55 101.59 3i22 n ASP 176 Ca 0.00 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 52.99 3i22 n ASP 176 Cb 0.00 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.42 3i22 n ASP 176 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 3i22 s VAL 177 N 0.00 5.30 0.01 5.18 -7.23 -1.15 0.67 120.40 123.17 3i22 s VAL 177 Ca 0.00 -0.41 -0.02 0.00 -1.81 0.00 0.00 61.98 59.74 3i22 s VAL 177 Cb 0.00 -3.68 -0.01 0.00 0.56 0.00 0.00 36.38 33.25 3i22 s VAL 177 CO 0.00 -0.01 -0.04 0.52 -0.31 0.00 0.00 175.10 175.27 3i22 n VAL 178 N -0.18 0.46 -4.39 1.32 0.31 -0.41 -4.85 118.33 110.60 3i22 n VAL 178 Ca -0.05 0.21 -0.24 0.00 -0.01 0.00 0.00 64.34 64.25 3i22 n VAL 178 Cb 0.53 -1.38 -0.09 0.00 -0.91 0.00 0.00 33.84 31.99 3i22 n VAL 178 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3i22 s ARG 179 N -1.44 1.96 -0.10 5.55 0.52 -1.26 -4.99 118.95 119.19 3i22 s ARG 179 Ca -0.03 -1.60 -0.04 0.00 -0.52 0.00 0.00 55.73 53.53 3i22 s ARG 179 Cb 0.00 -1.95 0.05 0.00 0.52 0.00 0.00 34.95 33.57 3i22 s ARG 179 CO 0.04 0.35 0.22 0.08 0.02 0.00 0.00 175.30 176.01 3i22 s VAL 180 N -2.41 -0.11 -0.40 3.52 1.01 -1.26 -1.72 120.40 119.02 3i22 s VAL 180 Ca 0.30 0.19 0.01 0.00 0.00 0.00 0.00 61.98 62.49 3i22 s VAL 180 Cb -0.06 -0.35 0.14 0.00 0.00 0.00 0.00 36.38 36.12 3i22 s VAL 180 CO 0.17 0.08 0.25 -1.81 0.00 0.00 0.00 175.10 173.79 3i22 s ASP 181 N 1.49 3.09 0.00 3.32 1.01 0.22 -4.89 116.67 120.91 3i22 s ASP 181 Ca -0.07 -2.52 0.02 0.00 0.71 0.00 0.00 52.55 50.69 3i22 s ASP 181 Cb -0.11 -0.68 0.12 0.00 1.01 0.00 0.00 42.92 43.26 3i22 s ASP 181 CO -0.08 -0.27 0.45 0.00 0.21 0.00 0.00 175.17 175.49 3i22 n ALA 182 N 3.63 1.81 -0.08 5.23 0.00 -1.26 -1.41 120.51 128.43 3i22 n ALA 182 Ca 0.13 -0.01 -0.17 0.00 0.00 0.00 0.00 53.44 53.39 3i22 n ALA 182 Cb 0.37 -1.03 -0.12 0.00 0.00 0.00 0.00 19.45 18.67 3i22 n ALA 182 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3i22 h GLU 183 N 0.00 0.00 -0.71 0.00 3.07 -1.93 -3.40 114.58 111.60 3i22 h GLU 183 Ca 0.00 0.00 -0.43 0.00 -0.50 0.00 0.00 59.36 58.43 3i22 h GLU 183 Cb 0.00 0.00 -0.42 0.00 -0.84 0.00 0.00 28.75 27.49 3i22 h GLU 183 CO 0.00 0.96 -0.94 2.89 -1.40 0.00 0.00 179.01 180.52 3i22 n ARG 184 N -4.54 2.78 -3.49 2.33 1.85 -0.99 -5.00 116.66 109.59 3i22 n ARG 184 Ca -0.19 -3.90 -0.19 0.00 -1.00 0.00 0.00 57.85 52.57 3i22 n ARG 184 Cb 0.55 -1.97 0.07 0.00 -1.05 0.00 0.00 32.46 30.05 3i22 n ARG 184 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3i22 n ASN 185 N -0.61 -2.85 -4.03 2.89 3.02 -0.56 -4.94 115.26 108.19 3i22 n ASN 185 Ca 0.28 -0.72 -0.24 0.00 -0.03 0.00 0.00 54.58 53.87 3i22 n ASN 185 Cb 0.88 -4.72 -0.16 0.00 -0.61 0.00 0.00 39.78 35.16 3i22 n ASN 185 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3i22 s LEU 186 N -6.28 1.68 -0.04 3.41 1.02 -0.50 -2.11 118.68 115.86 3i22 s LEU 186 Ca 0.12 -0.29 0.06 0.00 0.02 0.00 0.00 54.13 54.04 3i22 s LEU 186 Cb -0.02 -0.80 -0.01 0.00 0.02 0.00 0.00 46.19 45.38 3i22 s LEU 186 CO 0.76 0.05 -0.22 -0.22 0.02 0.00 0.00 176.35 176.74 3i22 s LEU 187 N 0.55 2.02 -0.09 1.79 2.96 0.45 0.71 118.68 127.08 3i22 s LEU 187 Ca -0.12 -0.44 0.02 0.00 -0.22 0.00 0.00 54.13 53.37 3i22 s LEU 187 Cb -0.15 -1.21 -0.02 0.00 0.50 0.00 0.00 46.19 45.32 3i22 s LEU 187 CO 0.03 0.24 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.40 3i22 s LEU 188 N -0.25 2.74 -0.08 -0.68 1.43 -0.70 -1.57 118.68 119.58 3i22 s LEU 188 Ca 0.01 -0.25 0.00 0.00 -1.03 0.00 0.00 54.13 52.86 3i22 s LEU 188 Cb -0.11 -1.58 0.02 0.00 0.03 0.00 0.00 46.19 44.54 3i22 s LEU 188 CO 0.02 0.26 -0.06 0.68 0.23 0.00 0.00 176.35 177.49 3i22 s VAL 189 N -0.25 0.75 -0.18 -1.59 -7.23 -1.07 -1.28 120.40 109.56 3i22 s VAL 189 Ca 0.01 -0.17 -0.29 0.00 -1.81 0.00 0.00 61.98 59.72 3i22 s VAL 189 Cb -0.13 -0.79 -0.03 0.00 0.56 0.00 0.00 36.38 35.99 3i22 s VAL 189 CO 0.03 0.30 1.51 -0.75 -0.31 0.00 0.00 175.10 175.88 3i22 s LYS 190 N 1.41 3.99 0.00 4.82 2.20 0.21 -0.47 119.74 131.90 3i22 s LYS 190 Ca -0.02 1.73 0.00 0.00 -0.36 0.00 0.00 55.97 57.32 3i22 s LYS 190 Cb -0.13 -3.95 0.00 0.00 -1.51 0.00 0.00 37.83 32.24 3i22 s LYS 190 CO -0.03 -1.05 0.00 0.41 -0.36 0.00 0.00 175.35 174.31 3i22 n GLY 191 N 4.28 2.92 3.73 5.54 0.00 0.25 -4.32 105.19 117.59 3i22 n GLY 191 Ca 0.17 -2.06 -0.41 0.00 0.00 0.00 0.00 46.02 43.72 3i22 n GLY 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i22 s ALA 192 N -2.53 3.27 0.10 4.61 0.00 -1.26 -4.17 121.76 121.77 3i22 s ALA 192 Ca 0.00 0.47 0.09 0.00 0.00 0.00 0.00 51.96 52.52 3i22 s ALA 192 Cb 0.00 -3.20 -0.04 0.00 0.00 0.00 0.00 23.12 19.89 3i22 s ALA 192 CO 0.00 -0.04 -0.24 0.14 0.00 0.00 0.00 175.76 175.62 3i22 s VAL 193 N 0.20 1.98 0.00 0.00 -7.23 -1.26 -5.06 120.40 109.03 3i22 s VAL 193 Ca 0.45 -1.58 0.00 0.00 -1.81 0.00 0.00 61.98 59.04 3i22 s VAL 193 Cb -0.22 -1.76 0.00 0.00 0.56 0.00 0.00 36.38 34.97 3i22 s VAL 193 CO 0.27 0.08 0.00 -0.81 -0.31 0.00 0.00 175.10 174.33 3i22 n PRO 194 N 1.17 3.44 0.00 4.82 -0.04 -1.26 -4.86 135.00 138.27 3i22 n PRO 194 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 3i22 n PRO 194 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 3i22 n PRO 194 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i22 n GLY 195 N 0.00 1.01 3.09 0.55 0.00 -1.25 -4.73 105.19 103.86 3i22 n GLY 195 Ca 0.00 -0.64 0.01 0.00 0.00 0.00 0.00 46.02 45.38 3i22 n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i22 s ALA 196 N -1.94 -2.68 -0.15 4.61 0.00 -1.26 -3.81 121.76 116.53 3i22 s ALA 196 Ca 0.00 0.31 -0.03 0.00 0.00 0.00 0.00 51.96 52.24 3i22 s ALA 196 Cb 0.00 -2.78 0.00 0.00 0.00 0.00 0.00 23.12 20.34 3i22 s ALA 196 CO 0.00 -2.27 0.14 2.41 0.00 0.00 0.00 175.76 176.04 3i22 n THR 197 N 4.14 -0.77 0.00 0.00 -1.04 -1.26 -3.57 114.28 111.79 3i22 n THR 197 Ca 0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 3i22 n THR 197 Cb 0.58 -0.69 0.00 0.00 -1.82 0.00 0.00 70.33 68.40 3i22 n THR 197 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i22 n GLY 198 N -0.49 2.78 3.44 3.41 0.00 -0.41 -4.92 105.19 108.99 3i22 n GLY 198 Ca -0.05 -0.34 -0.29 0.00 0.00 0.00 0.00 46.02 45.33 3i22 n GLY 198 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i22 n SER 199 N 0.00 -1.75 -4.86 1.61 3.41 -1.23 -4.72 113.62 106.07 3i22 n SER 199 Ca 0.00 -0.11 -0.31 0.00 -0.26 0.00 0.00 58.87 58.19 3i22 n SER 199 Cb 0.00 -1.21 -0.05 0.00 -0.26 0.00 0.00 64.21 62.69 3i22 n SER 199 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3i22 s ASP 200 N -2.29 6.65 -0.02 4.04 1.01 -1.26 -3.32 116.67 121.46 3i22 s ASP 200 Ca 0.66 1.17 0.03 0.00 0.71 0.00 0.00 52.55 55.11 3i22 s ASP 200 Cb -0.23 -2.33 0.00 0.00 1.01 0.00 0.00 42.92 41.37 3i22 s ASP 200 CO 0.65 -0.27 -0.10 -0.76 0.21 0.00 0.00 175.17 174.90 3i22 s LEU 201 N -3.33 1.83 -0.51 1.23 1.43 -0.94 -4.17 118.68 114.22 3i22 s LEU 201 Ca 0.52 -0.20 -0.15 0.00 -1.03 0.00 0.00 54.13 53.27 3i22 s LEU 201 Cb -0.10 -0.58 0.11 0.00 0.03 0.00 0.00 46.19 45.64 3i22 s LEU 201 CO 0.24 0.08 0.45 -0.63 0.23 0.00 0.00 176.35 176.71 3i22 s ILE 202 N 0.12 5.14 -0.13 -0.59 1.09 -0.04 -2.00 121.20 124.78 3i22 s ILE 202 Ca -0.02 -1.35 -0.07 0.00 -1.10 0.00 0.00 60.65 58.11 3i22 s ILE 202 Cb -0.08 -4.21 -0.04 0.00 -1.06 0.00 0.00 42.46 37.07 3i22 s ILE 202 CO 0.00 -0.75 0.12 0.54 -0.10 0.00 0.00 174.94 174.75 3i22 s VAL 203 N 1.60 5.31 -0.18 2.92 0.11 -1.00 -0.09 120.40 129.06 3i22 s VAL 203 Ca 0.04 0.14 -0.13 0.00 -2.93 0.00 0.00 61.98 59.09 3i22 s VAL 203 Cb -0.28 -3.32 0.06 0.00 -1.53 0.00 0.00 36.38 31.31 3i22 s VAL 203 CO 0.04 0.59 0.47 -0.75 -3.33 0.00 0.00 175.10 172.11 3i22 s LYS 204 N -0.76 0.49 -0.01 1.54 2.36 -1.26 -1.82 119.74 120.29 3i22 s LYS 204 Ca 0.13 0.78 -0.38 0.00 -2.55 0.00 0.00 55.97 53.96 3i22 s LYS 204 Cb -0.12 0.11 -0.17 0.00 -1.05 0.00 0.00 37.83 36.60 3i22 s LYS 204 CO 0.03 -0.12 1.39 -0.35 1.55 0.00 0.00 175.35 177.85 3i22 n PRO 205 N 3.69 0.98 -1.65 4.03 -0.04 -1.26 0.13 135.00 140.88 3i22 n PRO 205 Ca -0.19 0.35 -0.40 0.00 -0.04 0.00 0.00 63.50 63.22 3i22 n PRO 205 Cb 0.56 -1.98 0.02 0.00 -0.04 0.00 0.00 33.50 32.06 3i22 n PRO 205 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i22 n ALA 206 N 2.97 0.59 -0.01 0.55 0.00 -1.26 -4.62 120.51 118.73 3i22 n ALA 206 Ca 0.20 0.18 -0.06 0.00 0.00 0.00 0.00 53.44 53.76 3i22 n ALA 206 Cb 0.16 -2.16 -0.05 0.00 0.00 0.00 0.00 19.45 17.40 3i22 n ALA 206 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i22 h VAL 207 N 1.44 0.54 0.31 0.00 2.07 -1.92 -3.39 116.25 115.30 3i22 h VAL 207 Ca -0.47 -1.27 -0.01 0.00 0.82 0.00 0.00 66.70 65.77 3i22 h VAL 207 Cb 1.33 0.99 -0.00 0.00 -1.52 0.00 0.00 31.29 32.09 3i22 h VAL 207 CO 0.56 0.17 -0.21 0.11 0.02 0.00 0.00 177.57 178.23 3i22 h LYS 208 N -0.99 -0.48 0.00 1.57 6.56 -1.98 -3.53 116.57 117.73 3i22 h LYS 208 Ca -0.01 0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.61 3i22 h LYS 208 Cb 0.36 0.11 0.00 0.00 -0.57 0.00 0.00 32.23 32.13 3i22 h LYS 208 CO 0.02 -0.32 0.00 0.00 -2.06 0.00 0.00 179.45 177.09