#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i22 n LYS 2 N 0.00 0.26 -0.55 0.00 4.01 -1.26 -2.26 118.16 118.36 3i22 n LYS 2 Ca 0.00 0.12 0.02 0.00 -0.51 0.00 0.00 58.31 57.94 3i22 n LYS 2 Cb 0.00 -1.50 0.22 0.00 -0.51 0.00 0.00 35.03 33.24 3i22 n LYS 2 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 3i22 n LEU 3 N -1.22 3.96 -0.03 -0.35 7.99 -1.26 -4.24 117.00 121.85 3i22 n LEU 3 Ca 0.08 -2.02 -0.12 0.00 -0.01 0.00 0.00 56.01 53.94 3i22 n LEU 3 Cb 0.10 -0.62 -0.10 0.00 -0.11 0.00 0.00 43.42 42.68 3i22 n LEU 3 CO 0.10 0.51 0.42 -0.74 -1.51 0.00 0.00 177.39 176.17 3i22 h HIS 4 N 2.12 -0.04 0.00 -1.77 2.76 -1.82 -3.15 115.15 113.26 3i22 h HIS 4 Ca 0.05 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 3i22 h HIS 4 Cb 1.46 0.01 0.00 0.00 1.55 0.00 0.00 27.41 30.44 3i22 h HIS 4 CO 0.68 0.65 0.00 -0.25 -1.30 0.00 0.00 177.93 177.71 3i22 n ASP 5 N -4.74 0.00 0.00 3.26 10.43 -1.26 -2.51 116.55 121.73 3i22 n ASP 5 Ca -0.08 -1.01 0.04 0.00 2.57 0.00 0.00 54.79 56.31 3i22 n ASP 5 Cb 0.35 0.00 0.24 0.00 1.84 0.00 0.00 41.12 43.55 3i22 n ASP 5 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3i22 n TYR 6 N -0.82 0.00 -1.16 1.24 9.36 -1.19 -2.83 117.16 121.77 3i22 n TYR 6 Ca 0.11 0.00 -0.26 0.00 3.32 0.00 0.00 57.90 61.08 3i22 n TYR 6 Cb 0.05 0.00 0.14 0.00 -0.63 0.00 0.00 39.34 38.90 3i22 n TYR 6 CO 0.00 0.00 0.00 0.98 0.22 0.00 0.00 176.86 178.06 3i22 n TYR 7 N -0.78 2.96 -2.63 2.98 9.36 -1.04 -4.31 117.16 123.70 3i22 n TYR 7 Ca 0.06 -2.10 -0.03 0.00 3.32 0.00 0.00 57.90 59.15 3i22 n TYR 7 Cb 0.03 -1.05 0.01 0.00 -0.63 0.00 0.00 39.34 37.69 3i22 n TYR 7 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3i22 n LYS 8 N -0.98 0.30 -0.03 2.98 5.02 -1.13 -4.38 118.16 119.93 3i22 n LYS 8 Ca 0.58 -0.66 0.02 0.00 -2.02 0.00 0.00 58.31 56.22 3i22 n LYS 8 Cb 1.35 0.02 0.03 0.00 -0.02 0.00 0.00 35.03 36.41 3i22 n LYS 8 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3i22 n ASP 9 N -0.48 1.94 0.00 4.39 10.43 -1.26 -4.70 116.55 126.88 3i22 n ASP 9 Ca -0.19 -1.72 0.00 0.00 2.57 0.00 0.00 54.79 55.45 3i22 n ASP 9 Cb 0.64 -0.05 0.00 0.00 1.84 0.00 0.00 41.12 43.56 3i22 n ASP 9 CO 0.00 0.00 0.00 -1.84 -1.07 0.00 0.00 177.20 174.29 3i22 n GLU 10 N -0.08 0.00 -2.45 -1.24 0.28 -1.26 -5.14 120.64 110.75 3i22 n GLU 10 Ca 0.03 0.00 -0.25 0.00 -0.16 0.00 0.00 57.16 56.78 3i22 n GLU 10 Cb 0.23 0.00 0.04 0.00 1.43 0.00 0.00 31.44 33.14 3i22 n GLU 10 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 3i22 s VAL 11 N 0.00 2.97 0.00 3.84 1.01 -1.26 -4.06 120.40 122.90 3i22 s VAL 11 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.67 3i22 s VAL 11 Cb 0.00 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.19 3i22 s VAL 11 CO 0.00 -0.18 0.00 0.52 0.00 0.00 0.00 175.10 175.44 3i22 n VAL 12 N -2.59 0.00 0.05 2.92 0.31 -1.26 -4.40 118.33 113.36 3i22 n VAL 12 Ca 0.06 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.31 3i22 n VAL 12 Cb 0.59 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 33.40 3i22 n VAL 12 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 3i22 h LYS 13 N 0.64 0.02 -0.70 5.55 6.56 -1.95 0.54 116.57 127.23 3i22 h LYS 13 Ca 0.00 -0.04 -0.08 0.00 -1.06 0.00 0.00 60.65 59.47 3i22 h LYS 13 Cb 0.00 0.02 -0.05 0.00 -0.57 0.00 0.00 32.23 31.63 3i22 h LYS 13 CO 0.00 0.92 0.10 1.63 -2.06 0.00 0.00 179.45 180.04 3i22 n LYS 14 N -3.31 4.03 0.00 3.15 4.76 -1.26 -2.98 118.16 122.55 3i22 n LYS 14 Ca -0.04 -2.74 0.00 0.00 -2.87 0.00 0.00 58.31 52.66 3i22 n LYS 14 Cb 0.97 -2.15 0.00 0.00 -1.84 0.00 0.00 35.03 32.01 3i22 n LYS 14 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3i22 n LEU 15 N 0.29 0.00 -0.00 -0.35 4.77 -1.12 -4.74 117.00 115.85 3i22 n LEU 15 Ca 0.29 -0.05 -0.00 0.00 -0.03 0.00 0.00 56.01 56.22 3i22 n LEU 15 Cb 1.16 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 42.25 3i22 n LEU 15 CO 0.33 0.00 -0.04 0.23 -1.33 0.00 0.00 177.39 176.58 3i22 n MET 16 N -0.56 0.03 -0.38 3.23 2.81 0.19 -4.62 117.12 117.82 3i22 n MET 16 Ca 0.00 0.01 -0.05 0.00 -1.81 0.00 0.00 57.70 55.85 3i22 n MET 16 Cb 0.00 -0.30 0.08 0.00 -0.71 0.00 0.00 33.22 32.29 3i22 n MET 16 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 3i22 n THR 17 N -2.68 1.51 -0.10 2.03 -2.24 -1.16 -1.15 114.28 110.49 3i22 n THR 17 Ca -0.01 -0.59 -0.15 0.00 -2.27 0.00 0.00 64.05 61.03 3i22 n THR 17 Cb 0.03 -0.72 -0.06 0.00 -2.10 0.00 0.00 70.33 67.48 3i22 n THR 17 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3i22 n GLU 18 N 0.02 0.53 -2.82 -0.78 2.13 -1.21 -4.82 120.64 113.69 3i22 n GLU 18 Ca 0.17 0.43 -0.11 0.00 0.66 0.00 0.00 57.16 58.31 3i22 n GLU 18 Cb 0.80 -1.62 0.02 0.00 0.27 0.00 0.00 31.44 30.92 3i22 n GLU 18 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 3i22 n PHE 19 N -4.47 0.36 -2.59 4.31 7.35 -1.26 -5.01 117.46 116.16 3i22 n PHE 19 Ca -0.25 -2.98 -0.08 0.00 -0.76 0.00 0.00 57.45 53.39 3i22 n PHE 19 Cb 0.55 -0.12 0.04 0.00 0.35 0.00 0.00 39.48 40.29 3i22 n PHE 19 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 3i22 n ASN 20 N 0.01 -5.12 -3.98 -2.13 5.15 -1.25 -5.04 115.26 102.89 3i22 n ASN 20 Ca 0.12 -0.37 -0.30 0.00 -0.60 0.00 0.00 54.58 53.43 3i22 n ASN 20 Cb 0.77 -3.56 -0.16 0.00 -0.53 0.00 0.00 39.78 36.30 3i22 n ASN 20 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 3i22 s TYR 21 N -3.20 2.45 -0.07 1.20 2.02 -0.30 -4.99 117.35 114.46 3i22 s TYR 21 Ca 0.23 -1.68 0.05 0.00 -0.37 0.00 0.00 57.07 55.31 3i22 s TYR 21 Cb -0.03 -1.63 -0.08 0.00 -0.40 0.00 0.00 41.96 39.82 3i22 s TYR 21 CO 0.47 -0.76 0.00 0.09 -1.57 0.00 0.00 175.55 173.79 3i22 n ASN 22 N 4.67 3.34 -4.74 2.29 3.02 -1.26 -4.27 115.26 118.31 3i22 n ASN 22 Ca -0.14 -0.01 -0.41 0.00 -0.03 0.00 0.00 54.58 53.99 3i22 n ASN 22 Cb 0.46 0.51 -0.03 0.00 -0.61 0.00 0.00 39.78 40.11 3i22 n ASN 22 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3i22 s SER 23 N -4.02 6.90 0.59 6.41 0.15 -1.26 -4.91 113.70 117.56 3i22 s SER 23 Ca -0.05 2.43 0.29 0.00 0.70 0.00 0.00 55.95 59.32 3i22 s SER 23 Cb 0.02 -2.61 1.69 0.00 -1.71 0.00 0.00 66.02 63.41 3i22 s SER 23 CO 0.26 -0.51 2.12 0.58 1.20 0.00 0.00 173.24 176.88 3i22 h VAL 24 N 3.64 0.46 0.00 4.45 2.07 -1.99 -2.11 116.25 122.76 3i22 h VAL 24 Ca -0.45 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.07 3i22 h VAL 24 Cb 1.22 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 3i22 h VAL 24 CO 0.76 0.00 -0.75 0.23 0.02 0.00 0.00 177.57 177.82 3i22 n MET 25 N -3.77 2.32 0.08 1.57 2.81 -1.26 -4.23 117.12 114.63 3i22 n MET 25 Ca 0.01 -0.01 0.08 0.00 -1.81 0.00 0.00 57.70 55.96 3i22 n MET 25 Cb 0.30 -1.16 0.37 0.00 -0.71 0.00 0.00 33.22 32.02 3i22 n MET 25 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 3i22 n GLN 26 N -1.40 0.09 -2.38 0.03 7.27 -0.79 -4.41 117.38 115.79 3i22 n GLN 26 Ca 0.02 0.46 -0.43 0.00 0.07 0.00 0.00 57.00 57.12 3i22 n GLN 26 Cb 0.23 -1.73 -0.02 0.00 2.41 0.00 0.00 30.24 31.13 3i22 n GLN 26 CO 0.00 0.00 0.00 0.14 0.07 0.00 0.00 177.06 177.27 3i22 s VAL 27 N -3.24 4.01 -0.15 1.69 -7.23 -1.25 -4.95 120.40 109.29 3i22 s VAL 27 Ca 0.02 1.09 -0.31 0.00 -1.81 0.00 0.00 61.98 60.97 3i22 s VAL 27 Cb 0.07 -4.18 -0.08 0.00 0.56 0.00 0.00 36.38 32.74 3i22 s VAL 27 CO 0.23 -0.63 2.10 -2.65 -0.31 0.00 0.00 175.10 173.84 3i22 n PRO 28 N 7.72 2.09 -3.02 4.82 -0.02 -1.26 -4.92 135.00 140.41 3i22 n PRO 28 Ca 0.16 0.67 -0.43 0.00 -2.02 0.00 0.00 63.50 61.88 3i22 n PRO 28 Cb 0.47 -2.97 -0.06 0.00 -0.02 0.00 0.00 33.50 30.93 3i22 n PRO 28 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3i22 s ARG 29 N 5.48 3.27 0.21 -0.52 0.52 -1.26 -4.83 118.95 121.82 3i22 s ARG 29 Ca 0.98 -0.45 -0.31 0.00 -0.52 0.00 0.00 55.73 55.43 3i22 s ARG 29 Cb -0.50 -4.02 -0.15 0.00 0.52 0.00 0.00 34.95 30.81 3i22 s ARG 29 CO 0.42 -1.22 1.18 1.33 0.02 0.00 0.00 175.30 177.03 3i22 n VAL 30 N 5.93 1.17 0.00 3.52 0.24 -1.26 -4.03 118.33 123.89 3i22 n VAL 30 Ca -0.01 -0.29 0.00 0.00 -2.04 0.00 0.00 64.34 61.99 3i22 n VAL 30 Cb 0.47 -1.01 0.00 0.00 -1.47 0.00 0.00 33.84 31.83 3i22 n VAL 30 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 3i22 n GLU 31 N 1.56 0.00 -0.31 7.34 4.07 -1.25 -5.02 120.64 127.03 3i22 n GLU 31 Ca 0.13 0.00 -0.04 0.00 -0.06 0.00 0.00 57.16 57.19 3i22 n GLU 31 Cb 0.28 0.00 -0.04 0.00 -0.06 0.00 0.00 31.44 31.62 3i22 n GLU 31 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 3i22 n LYS 32 N 0.00 0.00 -3.44 5.31 4.81 -1.20 -4.74 118.16 118.90 3i22 n LYS 32 Ca 0.00 0.00 -0.36 0.00 -0.87 0.00 0.00 58.31 57.08 3i22 n LYS 32 Cb 0.00 -0.22 -0.06 0.00 0.02 0.00 0.00 35.03 34.77 3i22 n LYS 32 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 3i22 s ILE 33 N 0.00 4.95 0.00 3.15 1.01 -1.24 -3.37 121.20 125.70 3i22 s ILE 33 Ca 0.24 0.77 -0.00 0.00 0.00 0.00 0.00 60.65 61.66 3i22 s ILE 33 Cb -0.15 -3.72 -0.00 0.00 0.01 0.00 0.00 42.46 38.59 3i22 s ILE 33 CO 0.10 0.37 -0.00 0.41 0.00 0.00 0.00 174.94 175.82 3i22 n THR 34 N 1.18 0.06 -2.45 2.92 -1.04 -1.22 0.50 114.28 114.23 3i22 n THR 34 Ca -0.09 0.06 0.04 0.00 -2.04 0.00 0.00 64.05 62.03 3i22 n THR 34 Cb 0.52 -1.07 -0.01 0.00 -1.82 0.00 0.00 70.33 67.95 3i22 n THR 34 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3i22 n LEU 35 N -2.55 0.00 0.00 -4.42 4.32 -1.22 -4.02 117.00 109.12 3i22 n LEU 35 Ca -0.00 0.35 0.00 0.00 -0.02 0.00 0.00 56.01 56.34 3i22 n LEU 35 Cb 0.00 -0.99 0.00 0.00 -1.62 0.00 0.00 43.42 40.81 3i22 n LEU 35 CO 0.00 -0.96 0.00 -3.20 -1.22 0.00 0.00 177.39 172.01 3i22 n ASN 36 N -1.60 0.00 0.00 -1.43 5.15 -1.24 -4.15 115.26 111.99 3i22 n ASN 36 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 3i22 n ASN 36 Cb 0.15 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.40 3i22 n ASN 36 CO 0.00 0.00 0.00 0.80 1.40 0.00 0.00 177.26 179.46 3i22 n MET 37 N -0.01 0.00 -2.60 1.20 0.00 -1.26 -3.67 117.12 110.78 3i22 n MET 37 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.70 57.39 3i22 n MET 37 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.19 3i22 n MET 37 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 3i22 s GLY 38 N 0.00 1.91 -0.15 -5.12 0.00 -1.26 -3.83 107.32 98.87 3i22 s GLY 38 Ca 0.00 -0.10 -0.11 0.00 0.00 0.00 0.00 44.72 44.51 3i22 s GLY 38 CO 0.00 0.12 -0.24 -0.62 0.00 0.00 0.00 173.10 172.36 3i22 n VAL 39 N -1.61 1.19 0.00 1.40 0.31 -0.86 -4.84 118.33 113.92 3i22 n VAL 39 Ca 0.04 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 3i22 n VAL 39 Cb 0.54 -1.90 0.00 0.00 -0.91 0.00 0.00 33.84 31.57 3i22 n VAL 39 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i22 n GLY 40 N 1.93 2.95 0.00 2.92 0.00 -1.26 -3.64 105.19 108.08 3i22 n GLY 40 Ca -0.26 0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3i22 n GLY 40 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3i22 n GLU 41 N 14.00 0.00 0.00 1.61 0.00 -1.26 -4.18 120.64 130.81 3i22 n GLU 41 Ca 0.00 0.58 0.00 0.00 0.00 0.00 0.00 57.16 57.74 3i22 n GLU 41 Cb 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 31.44 30.33 3i22 n GLU 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3i22 n ALA 42 N -1.41 0.00 -0.20 -1.84 0.00 -1.24 -4.63 120.51 111.19 3i22 n ALA 42 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i22 n ALA 42 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i22 n ALA 42 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 3i22 n ILE 43 N 0.00 0.00 -0.15 0.00 0.13 -1.26 -2.83 119.36 115.26 3i22 n ILE 43 Ca 0.00 0.00 -0.05 0.00 -1.10 0.00 0.00 62.75 61.60 3i22 n ILE 43 Cb 0.00 0.00 0.02 0.00 -0.84 0.00 0.00 39.64 38.82 3i22 n ILE 43 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3i22 h ALA 44 N -0.20 0.12 0.00 1.51 0.00 -1.98 -3.31 119.26 115.39 3i22 h ALA 44 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3i22 h ALA 44 Cb 0.00 0.54 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3i22 h ALA 44 CO 0.00 -0.56 -0.13 0.22 0.00 0.00 0.00 179.25 178.78 3i22 h ASP 45 N -0.12 0.00 0.00 0.00 -0.00 -1.91 -3.46 116.42 110.93 3i22 h ASP 45 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.25 3i22 h ASP 45 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.79 3i22 h ASP 45 CO -0.55 0.24 0.00 1.17 -0.00 0.00 0.00 179.24 180.11 3i22 n LYS 46 N -3.07 0.00 0.00 0.28 0.00 -1.25 -4.71 118.16 109.40 3i22 n LYS 46 Ca -0.02 0.00 0.03 0.00 0.00 0.00 0.00 58.31 58.32 3i22 n LYS 46 Cb 0.07 -2.50 0.15 0.00 0.00 0.00 0.00 35.03 32.75 3i22 n LYS 46 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 3i22 n LYS 47 N -1.32 0.15 -0.06 1.64 4.01 -1.26 0.80 118.16 122.12 3i22 n LYS 47 Ca 0.00 0.05 -0.13 0.00 -0.51 0.00 0.00 58.31 57.72 3i22 n LYS 47 Cb 0.00 -1.50 -0.12 0.00 -0.51 0.00 0.00 35.03 32.90 3i22 n LYS 47 CO 0.00 0.00 0.00 1.37 -1.11 0.00 0.00 177.40 177.66 3i22 h LEU 48 N 0.00 -0.00 0.00 -0.35 -0.00 -1.98 -3.26 115.31 109.72 3i22 h LEU 48 Ca 0.00 -0.89 0.00 0.00 -0.00 0.00 0.00 57.88 56.99 3i22 h LEU 48 Cb 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.67 3i22 h LEU 48 CO 0.00 0.91 -0.71 0.18 -0.00 0.00 0.00 178.44 178.82 3i22 n LEU 49 N -4.65 0.61 0.19 0.17 7.99 -0.52 -0.88 117.00 119.91 3i22 n LEU 49 Ca -0.09 -0.01 0.04 0.00 -0.01 0.00 0.00 56.01 55.94 3i22 n LEU 49 Cb 0.43 -0.17 0.37 0.00 -0.11 0.00 0.00 43.42 43.93 3i22 n LEU 49 CO 0.33 0.08 0.71 -0.78 -1.51 0.00 0.00 177.39 176.21 3i22 h ASP 50 N 0.00 0.00 -0.00 -1.43 -0.00 0.24 0.21 116.42 115.43 3i22 h ASP 50 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 3i22 h ASP 50 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.94 3i22 h ASP 50 CO 0.00 0.38 -0.20 0.59 -0.00 0.00 0.00 179.24 180.01 3i22 n ASN 51 N -3.86 0.87 -0.04 2.28 4.13 -1.23 -4.42 115.26 113.00 3i22 n ASN 51 Ca -0.01 -0.94 -0.08 0.00 1.68 0.00 0.00 54.58 55.23 3i22 n ASN 51 Cb 0.44 0.60 -0.14 0.00 -1.54 0.00 0.00 39.78 39.14 3i22 n ASN 51 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3i22 n ALA 52 N -0.51 1.56 0.29 5.41 0.00 -0.05 -2.36 120.51 124.84 3i22 n ALA 52 Ca 0.03 -0.92 0.18 0.00 0.00 0.00 0.00 53.44 52.72 3i22 n ALA 52 Cb 0.15 -0.65 0.88 0.00 0.00 0.00 0.00 19.45 19.83 3i22 n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i22 h ALA 53 N 1.05 1.10 0.00 0.00 0.00 -0.82 0.41 119.26 121.01 3i22 h ALA 53 Ca -0.35 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.36 3i22 h ALA 53 Cb 2.03 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.79 3i22 h ALA 53 CO 0.06 0.05 -0.88 0.00 0.00 0.00 0.00 179.25 178.48 3i22 h ALA 54 N 1.96 0.58 0.00 0.00 0.00 -1.76 -2.85 119.26 117.19 3i22 h ALA 54 Ca -0.00 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.19 3i22 h ALA 54 Cb 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3i22 h ALA 54 CO 0.01 0.92 0.00 -0.25 0.00 0.00 0.00 179.25 179.93 3i22 n ASP 55 N -3.20 0.15 0.03 0.00 9.92 0.29 -2.45 116.55 121.29 3i22 n ASP 55 Ca -0.02 0.52 -0.08 0.00 -0.53 0.00 0.00 54.79 54.69 3i22 n ASP 55 Cb 0.83 -0.56 -0.13 0.00 -0.64 0.00 0.00 41.12 40.63 3i22 n ASP 55 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 3i22 h LEU 56 N 0.00 0.01 -0.22 0.64 7.12 -0.10 -3.20 115.31 119.55 3i22 h LEU 56 Ca 0.00 -0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.00 3i22 h LEU 56 Cb 0.44 -0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.57 3i22 h LEU 56 CO 0.00 1.01 0.00 0.00 -0.13 0.00 0.00 178.44 179.32 3i22 n ALA 57 N -2.44 1.95 0.12 1.25 0.00 -1.03 -0.38 120.51 119.99 3i22 n ALA 57 Ca -0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 53.44 53.33 3i22 n ALA 57 Cb 0.99 -1.39 0.13 0.00 0.00 0.00 0.00 19.45 19.18 3i22 n ALA 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i22 h ALA 58 N 2.53 0.88 -0.02 0.00 0.00 -1.52 -2.87 119.26 118.27 3i22 h ALA 58 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.30 3i22 h ALA 58 Cb 0.46 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3i22 h ALA 58 CO 0.00 0.83 -0.15 -0.89 0.00 0.00 0.00 179.25 179.05 3i22 n ILE 59 N -3.75 0.00 -3.75 0.00 5.41 -0.96 -4.78 119.36 111.54 3i22 n ILE 59 Ca -0.01 -0.43 -0.30 0.00 1.00 0.00 0.00 62.75 63.01 3i22 n ILE 59 Cb 0.66 1.35 -0.14 0.00 -0.71 0.00 0.00 39.64 40.80 3i22 n ILE 59 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 3i22 s SER 60 N -1.88 4.00 0.00 4.38 0.15 0.49 -4.98 113.70 115.86 3i22 s SER 60 Ca 0.21 -1.95 0.00 0.00 0.70 0.00 0.00 55.95 54.90 3i22 s SER 60 Cb 0.16 -0.98 0.00 0.00 -1.71 0.00 0.00 66.02 63.49 3i22 s SER 60 CO 0.34 -0.37 0.64 0.61 1.20 0.00 0.00 173.24 175.66 3i22 n GLY 61 N 4.44 1.13 0.00 9.45 0.00 -1.24 -4.26 105.19 114.71 3i22 n GLY 61 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3i22 n GLY 61 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i22 n GLN 62 N 1.07 3.95 -3.89 1.61 1.13 -1.26 -5.10 117.38 114.89 3i22 n GLN 62 Ca 0.00 0.00 -0.31 0.00 -1.94 0.00 0.00 57.00 54.75 3i22 n GLN 62 Cb 0.24 0.00 -0.12 0.00 0.11 0.00 0.00 30.24 30.47 3i22 n GLN 62 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 3i22 s LYS 63 N 1.46 2.30 0.05 -1.09 2.36 -1.26 -4.94 119.74 118.62 3i22 s LYS 63 Ca 0.00 -2.90 -0.35 0.00 -2.55 0.00 0.00 55.97 50.17 3i22 s LYS 63 Cb 0.00 -3.45 -0.14 0.00 -1.05 0.00 0.00 37.83 33.19 3i22 s LYS 63 CO 0.00 -1.19 1.63 -2.30 1.55 0.00 0.00 175.35 175.04 3i22 n PRO 64 N 2.71 1.91 0.00 4.03 -0.02 -1.26 -4.89 135.00 137.49 3i22 n PRO 64 Ca 0.11 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 3i22 n PRO 64 Cb 0.34 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 3i22 n PRO 64 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 3i22 n LEU 65 N 4.24 0.00 -0.01 2.45 -0.00 -1.26 -5.04 117.00 117.38 3i22 n LEU 65 Ca 0.19 0.00 -0.00 0.00 -0.00 0.00 0.00 56.01 56.20 3i22 n LEU 65 Cb 0.26 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.65 3i22 n LEU 65 CO 0.67 0.00 -0.59 0.00 -0.00 0.00 0.00 177.39 177.47 3i22 n ILE 66 N 0.00 0.13 -2.95 1.47 0.13 -1.26 -4.50 119.36 112.38 3i22 n ILE 66 Ca 0.00 -0.13 -0.01 0.00 -1.10 0.00 0.00 62.75 61.51 3i22 n ILE 66 Cb 0.00 -0.29 -0.01 0.00 -0.84 0.00 0.00 39.64 38.50 3i22 n ILE 66 CO 0.00 0.00 0.00 0.35 2.80 0.00 0.00 176.55 179.70 3i22 n THR 67 N -1.90 -5.23 -0.21 9.51 -2.24 -1.25 -3.34 114.28 109.61 3i22 n THR 67 Ca -0.04 0.97 -0.16 0.00 -2.27 0.00 0.00 64.05 62.55 3i22 n THR 67 Cb 0.38 -4.04 0.15 0.00 -2.10 0.00 0.00 70.33 64.72 3i22 n THR 67 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3i22 n LYS 68 N 1.92 -3.37 0.00 -0.78 4.01 -1.26 -1.20 118.16 117.48 3i22 n LYS 68 Ca -0.11 -0.80 0.00 0.00 -0.51 0.00 0.00 58.31 56.90 3i22 n LYS 68 Cb 0.26 -0.99 0.00 0.00 -0.51 0.00 0.00 35.03 33.79 3i22 n LYS 68 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3i22 n ALA 69 N -4.45 0.00 0.07 7.82 0.00 -1.14 -4.25 120.51 118.56 3i22 n ALA 69 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3i22 n ALA 69 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.77 3i22 n ALA 69 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3i22 n ARG 70 N 0.00 0.00 0.00 0.00 0.63 -1.26 -5.05 116.66 110.98 3i22 n ARG 70 Ca 0.00 0.00 -0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3i22 n ARG 70 Cb 0.00 0.00 -0.00 0.00 0.45 0.00 0.00 32.46 32.91 3i22 n ARG 70 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 3i22 h LYS 71 N 0.00 -0.01 -1.38 -0.14 1.63 -1.93 -3.47 116.57 111.27 3i22 h LYS 71 Ca 0.00 0.00 -0.23 0.00 -0.85 0.00 0.00 60.65 59.57 3i22 h LYS 71 Cb 0.00 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.60 3i22 h LYS 71 CO 0.00 -0.01 -0.28 0.45 -3.45 0.00 0.00 179.45 176.17 3i22 n SER 72 N -2.03 -3.87 0.00 4.20 2.88 -1.24 -4.86 113.62 108.70 3i22 n SER 72 Ca -0.00 0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 3i22 n SER 72 Cb 0.00 -2.93 0.00 0.00 -0.75 0.00 0.00 64.21 60.54 3i22 n SER 72 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 3i22 n VAL 73 N -3.69 0.27 -3.70 2.46 0.31 -1.26 -4.78 118.33 107.93 3i22 n VAL 73 Ca -0.13 -0.39 -0.32 0.00 -0.01 0.00 0.00 64.34 63.48 3i22 n VAL 73 Cb 0.55 1.09 -0.05 0.00 -0.91 0.00 0.00 33.84 34.53 3i22 n VAL 73 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i22 s ALA 74 N -0.27 3.82 -1.25 3.52 0.00 -1.26 -4.97 121.76 121.35 3i22 s ALA 74 Ca 0.00 -0.57 0.30 0.00 0.00 0.00 0.00 51.96 51.69 3i22 s ALA 74 Cb 0.00 -2.10 1.39 0.00 0.00 0.00 0.00 23.12 22.41 3i22 s ALA 74 CO 0.00 0.67 1.99 0.41 0.00 0.00 0.00 175.76 178.83 3i22 n GLY 75 N 0.41 -1.37 0.00 0.00 0.00 -1.26 -3.89 105.19 99.09 3i22 n GLY 75 Ca -0.05 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.84 3i22 n GLY 75 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i22 n PHE 76 N -1.37 0.00 -1.83 1.61 0.99 -1.26 -4.81 117.46 110.78 3i22 n PHE 76 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.56 3i22 n PHE 76 Cb 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.76 3i22 n PHE 76 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.76 177.93 3i22 n LYS 77 N -0.54 0.00 -1.67 -1.08 3.00 -1.26 -5.13 118.16 111.47 3i22 n LYS 77 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 57.88 3i22 n LYS 77 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.02 3i22 n LYS 77 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 3i22 n ILE 78 N 0.00 1.71 -3.35 3.15 5.41 -1.25 -5.02 119.36 120.01 3i22 n ILE 78 Ca 0.00 -0.43 0.00 0.00 1.00 0.00 0.00 62.75 63.32 3i22 n ILE 78 Cb 0.23 -1.45 0.00 0.00 -0.71 0.00 0.00 39.64 37.71 3i22 n ILE 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 3i22 n ARG 79 N 0.98 0.00 -0.05 0.38 1.74 -1.26 -4.50 116.66 113.95 3i22 n ARG 79 Ca 0.07 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.03 3i22 n ARG 79 Cb 0.34 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.71 3i22 n ARG 79 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 3i22 h GLN 80 N 0.00 0.28 0.00 5.56 5.75 -1.89 -3.29 115.11 121.52 3i22 h GLN 80 Ca 0.00 -0.13 0.00 0.00 -0.15 0.00 0.00 58.65 58.37 3i22 h GLN 80 Cb 0.00 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.55 3i22 h GLN 80 CO 0.00 0.63 0.00 0.41 -2.65 0.00 0.00 178.83 177.22 3i22 n GLY 81 N 0.05 -1.26 2.69 2.39 0.00 -1.26 -3.75 105.19 104.05 3i22 n GLY 81 Ca -0.06 -0.61 -0.05 0.00 0.00 0.00 0.00 46.02 45.30 3i22 n GLY 81 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3i22 n TYR 82 N 0.00 -3.70 -0.12 1.61 4.19 -1.26 -3.32 117.16 114.56 3i22 n TYR 82 Ca 0.00 2.16 -0.10 0.00 3.31 0.00 0.00 57.90 63.26 3i22 n TYR 82 Cb 0.00 -3.40 0.10 0.00 0.49 0.00 0.00 39.34 36.53 3i22 n TYR 82 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 3i22 n PRO 83 N 1.89 -2.41 0.00 2.98 -0.04 -1.26 -2.88 135.00 133.27 3i22 n PRO 83 Ca -0.35 -0.49 0.00 0.00 -0.04 0.00 0.00 63.50 62.61 3i22 n PRO 83 Cb 0.55 -0.70 0.00 0.00 -0.04 0.00 0.00 33.50 33.31 3i22 n PRO 83 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 3i22 n ILE 84 N -3.88 0.00 0.00 0.52 0.13 -0.34 -4.60 119.36 111.19 3i22 n ILE 84 Ca 0.05 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.70 3i22 n ILE 84 Cb 0.20 0.28 0.00 0.00 -0.84 0.00 0.00 39.64 39.29 3i22 n ILE 84 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 3i22 n GLY 85 N 0.00 -0.53 2.80 4.50 0.00 -1.21 -2.04 105.19 108.71 3i22 n GLY 85 Ca 0.00 -0.11 0.02 0.00 0.00 0.00 0.00 46.02 45.93 3i22 n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i22 n LYS 87 N 3.80 0.00 -2.10 0.00 2.85 -1.26 -3.78 118.16 117.68 3i22 n LYS 87 Ca 0.06 0.55 -0.00 0.00 -1.05 0.00 0.00 58.31 57.86 3i22 n LYS 87 Cb 0.63 -1.41 0.00 0.00 -0.65 0.00 0.00 35.03 33.60 3i22 n LYS 87 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 3i22 n VAL 88 N -1.98 -4.69 -1.69 0.58 0.31 -1.26 -3.60 118.33 106.00 3i22 n VAL 88 Ca 0.00 -0.04 -0.44 0.00 -0.01 0.00 0.00 64.34 63.86 3i22 n VAL 88 Cb 0.00 -4.89 -0.03 0.00 -0.91 0.00 0.00 33.84 28.00 3i22 n VAL 88 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3i22 n THR 89 N -1.19 0.14 -3.18 2.52 -1.04 -1.26 -4.68 114.28 105.60 3i22 n THR 89 Ca 0.01 -0.03 -0.35 0.00 -2.04 0.00 0.00 64.05 61.64 3i22 n THR 89 Cb 0.46 -1.90 -0.06 0.00 -1.82 0.00 0.00 70.33 67.01 3i22 n THR 89 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3i22 s LEU 90 N 1.73 4.29 -0.30 -4.42 2.01 0.18 -4.98 118.68 117.19 3i22 s LEU 90 Ca 0.79 1.30 -0.16 0.00 0.01 0.00 0.00 54.13 56.07 3i22 s LEU 90 Cb -0.56 -3.60 0.19 0.00 0.01 0.00 0.00 46.19 42.23 3i22 s LEU 90 CO 0.36 0.00 1.15 -0.60 1.01 0.00 0.00 176.35 178.28 3i22 s ARG 91 N -2.17 0.17 1.62 1.70 3.52 -1.26 -3.67 118.95 118.85 3i22 s ARG 91 Ca 0.44 0.31 0.00 0.00 -0.13 0.00 0.00 55.73 56.35 3i22 s ARG 91 Cb -0.15 0.06 0.00 0.00 -1.56 0.00 0.00 34.95 33.30 3i22 s ARG 91 CO 0.20 -0.04 0.00 0.41 -0.81 0.00 0.00 175.30 175.06 3i22 n GLY 92 N 3.55 -0.00 0.01 8.12 0.00 -1.26 -4.51 105.19 111.10 3i22 n GLY 92 Ca -0.16 -1.43 -0.00 0.00 0.00 0.00 0.00 46.02 44.43 3i22 n GLY 92 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3i22 h GLU 93 N 0.00 -0.01 -3.04 1.61 4.39 -2.01 -2.79 114.58 112.72 3i22 h GLU 93 Ca 0.00 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.60 3i22 h GLU 93 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 3i22 h GLU 93 CO 0.00 -0.01 0.77 0.54 -1.16 0.00 0.00 179.01 179.15 3i22 n ARG 94 N -2.58 0.74 0.20 2.33 3.00 -1.26 -3.00 116.66 116.09 3i22 n ARG 94 Ca -0.00 -0.52 0.00 0.00 -0.01 0.00 0.00 57.85 57.32 3i22 n ARG 94 Cb 0.01 -1.84 0.00 0.00 0.00 0.00 0.00 32.46 30.63 3i22 n ARG 94 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.63 177.51 3i22 n MET 95 N 3.43 0.00 -0.06 5.56 1.56 -1.07 -4.39 117.12 122.16 3i22 n MET 95 Ca 0.16 0.00 -0.04 0.00 -0.27 0.00 0.00 57.70 57.55 3i22 n MET 95 Cb 0.20 0.00 0.18 0.00 2.15 0.00 0.00 33.22 35.75 3i22 n MET 95 CO 0.00 0.00 0.00 -1.49 -0.73 0.00 0.00 175.97 173.75 3i22 h TRP 96 N 0.00 0.72 0.00 1.12 6.55 -1.42 -0.52 115.95 122.40 3i22 h TRP 96 Ca 0.00 -0.12 0.00 0.00 0.95 0.00 0.00 58.89 59.72 3i22 h TRP 96 Cb 0.00 -0.19 0.00 0.00 -0.86 0.00 0.00 29.16 28.11 3i22 h TRP 96 CO 0.00 0.74 -0.55 -0.85 -1.05 0.00 0.00 178.44 176.73 3i22 n GLU 97 N -4.19 0.08 -0.00 0.49 0.00 -1.19 -3.17 120.64 112.66 3i22 n GLU 97 Ca 0.01 0.02 -0.14 0.00 0.00 0.00 0.00 57.16 57.05 3i22 n GLU 97 Cb 0.34 -1.54 -0.03 0.00 0.00 0.00 0.00 31.44 30.20 3i22 n GLU 97 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.13 177.48 3i22 h PHE 98 N 0.00 0.89 0.00 -1.84 3.57 -1.59 -2.86 116.94 115.11 3i22 h PHE 98 Ca 0.00 -0.38 0.00 0.00 3.53 0.00 0.00 57.97 61.12 3i22 h PHE 98 Cb 0.56 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.16 3i22 h PHE 98 CO 0.00 1.19 0.00 0.34 -2.23 0.00 0.00 178.31 177.61 3i22 n PHE 99 N -3.91 0.00 1.59 0.41 7.35 -0.26 -2.44 117.46 120.20 3i22 n PHE 99 Ca -0.06 0.00 0.12 0.00 -0.76 0.00 0.00 57.45 56.75 3i22 n PHE 99 Cb 0.72 -0.42 0.69 0.00 0.35 0.00 0.00 39.48 40.82 3i22 n PHE 99 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 3i22 n GLU 100 N -1.42 0.79 -0.08 -4.13 2.13 -1.08 -2.30 120.64 114.55 3i22 n GLU 100 Ca 0.10 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.81 3i22 n GLU 100 Cb 0.29 -1.46 -0.15 0.00 0.27 0.00 0.00 31.44 30.40 3i22 n GLU 100 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3i22 n ARG 101 N -0.96 0.68 -2.75 5.31 1.74 -1.02 -4.58 116.66 115.08 3i22 n ARG 101 Ca 0.17 0.08 -0.41 0.00 -0.77 0.00 0.00 57.85 56.92 3i22 n ARG 101 Cb 0.08 -1.59 -0.04 0.00 -1.02 0.00 0.00 32.46 29.89 3i22 n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3i22 s LEU 102 N -5.76 4.47 -1.07 0.55 2.01 -0.97 -3.18 118.68 114.71 3i22 s LEU 102 Ca -0.11 1.73 -0.03 0.00 0.01 0.00 0.00 54.13 55.73 3i22 s LEU 102 Cb 0.07 -3.55 -0.03 0.00 0.01 0.00 0.00 46.19 42.68 3i22 s LEU 102 CO 0.81 -0.10 0.92 -0.38 1.01 0.00 0.00 176.35 178.60 3i22 n ILE 103 N 3.04 -7.34 0.00 -0.59 -0.00 -1.26 -4.93 119.36 108.28 3i22 n ILE 103 Ca 0.03 -0.90 0.00 0.00 -0.00 0.00 0.00 62.75 61.88 3i22 n ILE 103 Cb 0.50 -5.66 0.00 0.00 -0.00 0.00 0.00 39.64 34.48 3i22 n ILE 103 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.55 176.96 3i22 n THR 104 N -3.56 0.00 0.08 1.39 -1.04 -1.25 -5.01 114.28 104.90 3i22 n THR 104 Ca -0.17 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 61.87 3i22 n THR 104 Cb 0.64 0.00 0.05 0.00 -1.82 0.00 0.00 70.33 69.20 3i22 n THR 104 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 3i22 n ILE 105 N 0.00 0.48 0.45 12.58 5.41 -1.26 -4.33 119.36 132.69 3i22 n ILE 105 Ca 0.00 -0.74 0.05 0.00 1.00 0.00 0.00 62.75 63.06 3i22 n ILE 105 Cb 0.00 0.82 -0.02 0.00 -0.71 0.00 0.00 39.64 39.73 3i22 n ILE 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i22 n ALA 106 N 0.17 2.98 0.07 -1.39 0.00 -1.19 -4.58 120.51 116.57 3i22 n ALA 106 Ca 0.05 -0.38 0.07 0.00 0.00 0.00 0.00 53.44 53.18 3i22 n ALA 106 Cb 0.24 -0.35 -0.10 0.00 0.00 0.00 0.00 19.45 19.23 3i22 n ALA 106 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3i22 n VAL 107 N -0.59 0.00 0.05 0.00 0.24 -1.26 -4.39 118.33 112.38 3i22 n VAL 107 Ca 0.03 -0.30 0.01 0.00 -2.04 0.00 0.00 64.34 62.05 3i22 n VAL 107 Cb 0.19 0.29 0.07 0.00 -1.47 0.00 0.00 33.84 32.91 3i22 n VAL 107 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 3i22 n PRO 108 N -1.90 0.02 -4.00 7.34 -0.02 -1.26 -3.98 135.00 131.20 3i22 n PRO 108 Ca -0.02 0.29 -0.31 0.00 -2.02 0.00 0.00 63.50 61.44 3i22 n PRO 108 Cb 0.34 -1.93 -0.15 0.00 -0.02 0.00 0.00 33.50 31.74 3i22 n PRO 108 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3i22 s ARG 109 N -2.63 1.69 0.05 -0.52 0.52 -1.26 -5.07 118.95 111.73 3i22 s ARG 109 Ca -0.00 -1.51 -0.18 0.00 -0.52 0.00 0.00 55.73 53.52 3i22 s ARG 109 Cb 0.01 -2.91 -0.06 0.00 0.52 0.00 0.00 34.95 32.50 3i22 s ARG 109 CO 0.02 -0.77 0.51 0.96 0.02 0.00 0.00 175.30 176.05 3i22 s ILE 110 N 1.10 4.84 0.08 1.52 -0.00 -1.26 -4.94 121.20 122.54 3i22 s ILE 110 Ca 0.02 1.09 -0.05 0.00 -0.00 0.00 0.00 60.65 61.71 3i22 s ILE 110 Cb -0.19 -3.84 -0.27 0.00 -0.00 0.00 0.00 42.46 38.16 3i22 s ILE 110 CO -0.08 0.56 1.16 0.03 -0.00 0.00 0.00 174.94 176.61 3i22 h ARG 111 N 4.60 0.31 0.00 0.37 -0.00 -1.96 -3.44 114.38 114.27 3i22 h ARG 111 Ca -0.50 -0.50 0.00 0.00 -0.50 0.00 0.00 59.98 58.48 3i22 h ARG 111 Cb 1.22 0.18 0.00 0.00 0.00 0.00 0.00 29.97 31.37 3i22 h ARG 111 CO 0.63 1.22 0.00 -0.25 0.00 0.00 0.00 179.97 181.57 3i22 n ASP 112 N -3.58 0.00 -3.54 7.04 9.92 -1.26 -5.18 116.55 119.95 3i22 n ASP 112 Ca -0.09 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.17 3i22 n ASP 112 Cb 1.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.48 3i22 n ASP 112 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 3i22 n PHE 113 N 0.00 -1.37 0.00 1.24 0.99 -1.26 -4.66 117.46 112.40 3i22 n PHE 113 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 3i22 n PHE 113 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.48 3i22 n PHE 113 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.76 174.63 3i22 n ARG 114 N -0.81 0.00 -3.48 -1.08 0.63 -1.26 -4.91 116.66 105.75 3i22 n ARG 114 Ca 0.00 0.00 -0.22 0.00 -0.92 0.00 0.00 57.85 56.71 3i22 n ARG 114 Cb 0.00 0.00 -0.13 0.00 0.45 0.00 0.00 32.46 32.78 3i22 n ARG 114 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 3i22 s GLY 115 N 0.00 0.13 0.00 5.14 0.00 -1.26 -4.99 107.32 106.34 3i22 s GLY 115 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 44.72 44.24 3i22 s GLY 115 CO 0.00 2.30 0.00 -0.10 0.00 0.00 0.00 173.10 175.30 3i22 n LEU 116 N 5.29 0.00 -3.80 0.66 7.94 -1.12 -5.02 117.00 120.94 3i22 n LEU 116 Ca -0.04 0.00 -0.14 0.00 -1.11 0.00 0.00 56.01 54.72 3i22 n LEU 116 Cb 0.46 0.00 -0.15 0.00 0.53 0.00 0.00 43.42 44.26 3i22 n LEU 116 CO 0.04 0.00 -0.33 -0.55 -1.11 0.00 0.00 177.39 175.44 3i22 s SER 117 N -1.00 0.01 -0.01 1.96 0.15 -0.90 -4.80 113.70 109.11 3i22 s SER 117 Ca 0.00 0.08 0.01 0.00 0.70 0.00 0.00 55.95 56.74 3i22 s SER 117 Cb 0.00 0.01 0.02 0.00 -1.71 0.00 0.00 66.02 64.34 3i22 s SER 117 CO 0.00 -0.08 0.96 0.00 1.20 0.00 0.00 173.24 175.32 3i22 n ALA 118 N 3.75 1.92 -2.58 5.45 0.00 -1.26 -4.05 120.51 123.73 3i22 n ALA 118 Ca -0.21 -1.05 -0.39 0.00 0.00 0.00 0.00 53.44 51.79 3i22 n ALA 118 Cb 0.54 -0.02 -0.10 0.00 0.00 0.00 0.00 19.45 19.87 3i22 n ALA 118 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 3i22 s LYS 119 N -1.01 3.87 0.00 0.00 0.00 -1.26 -4.95 119.74 116.39 3i22 s LYS 119 Ca 0.02 -0.19 0.00 0.00 0.00 0.00 0.00 55.97 55.79 3i22 s LYS 119 Cb 0.02 -3.70 0.00 0.00 0.00 0.00 0.00 37.83 34.15 3i22 s LYS 119 CO 0.00 -0.32 0.00 0.45 0.00 0.00 0.00 175.35 175.48 3i22 n SER 120 N 5.26 0.00 -4.81 0.03 2.88 -1.26 -4.97 113.62 110.76 3i22 n SER 120 Ca -0.10 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.22 3i22 n SER 120 Cb 0.51 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.92 3i22 n SER 120 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3i22 s PHE 121 N 0.00 2.79 0.00 0.66 -0.71 -1.26 -4.08 117.98 115.38 3i22 s PHE 121 Ca 0.00 -0.37 0.00 0.00 -1.04 0.00 0.00 56.93 55.52 3i22 s PHE 121 Cb 0.00 -1.79 0.00 0.00 -1.21 0.00 0.00 43.02 40.02 3i22 s PHE 121 CO 0.00 0.21 0.00 -0.25 -1.34 0.00 0.00 175.22 173.84 3i22 n ASP 122 N -1.30 0.00 0.00 1.98 8.00 -1.26 -4.95 116.55 119.01 3i22 n ASP 122 Ca -0.02 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.48 3i22 n ASP 122 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.71 3i22 n ASP 122 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i22 n GLY 123 N 0.00 0.30 3.25 0.44 0.00 -1.26 -4.66 105.19 103.25 3i22 n GLY 123 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3i22 n GLY 123 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i22 s ARG 124 N 0.00 3.04 -0.37 1.61 0.52 -1.26 -2.82 118.95 119.68 3i22 s ARG 124 Ca 0.00 -2.24 -0.15 0.00 -0.52 0.00 0.00 55.73 52.82 3i22 s ARG 124 Cb 0.00 -4.14 0.02 0.00 0.52 0.00 0.00 34.95 31.35 3i22 s ARG 124 CO 0.00 -1.25 0.42 0.41 0.02 0.00 0.00 175.30 174.90 3i22 n GLY 125 N 4.21 -1.61 0.21 -3.53 0.00 -1.26 -3.49 105.19 99.72 3i22 n GLY 125 Ca 0.04 0.95 0.05 0.00 0.00 0.00 0.00 46.02 47.06 3i22 n GLY 125 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i22 n ASN 126 N 0.10 1.38 -3.92 1.61 3.02 -1.26 -1.75 115.26 114.44 3i22 n ASN 126 Ca 0.04 -2.49 -0.40 0.00 -0.03 0.00 0.00 54.58 51.69 3i22 n ASN 126 Cb 0.40 -0.29 -0.04 0.00 -0.61 0.00 0.00 39.78 39.24 3i22 n ASN 126 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3i22 n TYR 127 N -0.78 2.66 -2.38 3.10 4.02 -1.26 -4.68 117.16 117.85 3i22 n TYR 127 Ca 0.08 -2.09 -0.42 0.00 -0.01 0.00 0.00 57.90 55.46 3i22 n TYR 127 Cb 0.62 -2.15 -0.03 0.00 -0.02 0.00 0.00 39.34 37.76 3i22 n TYR 127 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 3i22 s SER 128 N 4.82 7.03 -0.72 7.72 0.01 -1.26 -4.75 113.70 126.55 3i22 s SER 128 Ca 0.57 2.05 -0.02 0.00 1.31 0.00 0.00 55.95 59.86 3i22 s SER 128 Cb 0.10 -2.58 0.41 0.00 0.21 0.00 0.00 66.02 64.17 3i22 s SER 128 CO 0.07 -0.52 2.00 1.15 0.41 0.00 0.00 173.24 176.36 3i22 n MET 129 N 4.12 2.75 -1.49 12.44 0.00 -0.40 -4.88 117.12 129.65 3i22 n MET 129 Ca 0.10 -3.42 -0.42 0.00 0.00 0.00 0.00 57.70 53.96 3i22 n MET 129 Cb 0.46 -2.28 -0.11 0.00 0.00 0.00 0.00 33.22 31.28 3i22 n MET 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3i22 n GLY 130 N -0.77 -0.22 0.41 3.17 0.00 -1.26 -4.61 105.19 101.91 3i22 n GLY 130 Ca 0.59 1.01 0.28 0.00 0.00 0.00 0.00 46.02 47.90 3i22 n GLY 130 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3i22 h VAL 131 N 7.79 0.34 0.00 1.61 -1.51 -1.86 -3.44 116.25 119.18 3i22 h VAL 131 Ca -0.12 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 65.26 3i22 h VAL 131 Cb 1.31 0.04 0.00 0.00 -2.13 0.00 0.00 31.29 30.51 3i22 h VAL 131 CO 1.28 0.05 0.00 0.54 -1.23 0.00 0.00 177.57 178.21 3i22 n ARG 132 N -4.73 0.00 0.00 5.19 1.74 -1.26 -4.60 116.66 113.00 3i22 n ARG 132 Ca 0.31 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.39 3i22 n ARG 132 Cb 1.09 -3.13 0.00 0.00 -1.02 0.00 0.00 32.46 29.40 3i22 n ARG 132 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3i22 n GLU 133 N -1.77 0.00 -0.61 5.56 0.00 -1.26 -4.88 120.64 117.68 3i22 n GLU 133 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 57.16 56.85 3i22 n GLU 133 Cb 0.00 0.00 0.20 0.00 0.00 0.00 0.00 31.44 31.64 3i22 n GLU 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3i22 n GLN 134 N 0.00 -1.77 -2.92 5.31 -0.00 -0.78 -4.98 117.38 112.25 3i22 n GLN 134 Ca 0.00 -0.49 -0.21 0.00 -0.00 0.00 0.00 57.00 56.30 3i22 n GLN 134 Cb 0.00 -1.90 -0.02 0.00 -0.00 0.00 0.00 30.24 28.32 3i22 n GLN 134 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 3i22 n ILE 135 N -4.55 1.56 0.00 -0.39 -0.00 -1.26 -4.90 119.36 109.81 3i22 n ILE 135 Ca 0.02 -4.79 0.00 0.00 -0.00 0.00 0.00 62.75 57.98 3i22 n ILE 135 Cb 0.58 -0.69 0.00 0.00 -0.00 0.00 0.00 39.64 39.53 3i22 n ILE 135 CO 0.00 0.00 0.00 -0.38 -0.00 0.00 0.00 176.55 176.17 3i22 n ILE 136 N -0.07 0.00 0.00 1.39 2.08 -1.26 -4.88 119.36 116.61 3i22 n ILE 136 Ca 0.27 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.58 3i22 n ILE 136 Cb 0.58 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.47 3i22 n ILE 136 CO 0.00 0.00 0.00 2.22 0.56 0.00 0.00 176.55 179.33 3i22 n PHE 137 N 0.00 0.00 0.00 1.39 1.16 -1.26 -4.52 117.46 114.23 3i22 n PHE 137 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 3i22 n PHE 137 Cb 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 3i22 n PHE 137 CO 0.00 0.00 0.00 -2.30 -1.87 0.00 0.00 176.76 172.59 3i22 n PRO 138 N 0.00 0.00 -3.64 3.97 -0.02 -1.26 -4.97 135.00 129.08 3i22 n PRO 138 Ca 0.00 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.45 3i22 n PRO 138 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.44 3i22 n PRO 138 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3i22 s GLU 139 N 0.00 0.10 -0.76 -0.52 -6.30 -1.26 -4.78 118.70 105.18 3i22 s GLU 139 Ca 0.00 0.02 -0.26 0.00 -2.50 0.00 0.00 54.97 52.23 3i22 s GLU 139 Cb 0.00 0.05 0.01 0.00 0.00 0.00 0.00 34.13 34.18 3i22 s GLU 139 CO 0.00 -0.03 1.59 0.42 0.02 0.00 0.00 175.26 177.26 3i22 s ILE 140 N -1.04 3.59 -0.72 -3.70 1.01 -1.26 -3.77 121.20 115.31 3i22 s ILE 140 Ca 0.08 0.07 -0.01 0.00 0.00 0.00 0.00 60.65 60.79 3i22 s ILE 140 Cb -0.01 -4.49 0.00 0.00 0.01 0.00 0.00 42.46 37.97 3i22 s ILE 140 CO -0.07 -1.43 0.69 0.47 0.00 0.00 0.00 174.94 174.60 3i22 n ASP 141 N 11.05 -7.82 -0.48 3.58 10.43 -1.26 -4.83 116.55 127.22 3i22 n ASP 141 Ca 0.18 -0.03 0.00 0.00 2.57 0.00 0.00 54.79 57.51 3i22 n ASP 141 Cb 0.50 -5.32 0.00 0.00 1.84 0.00 0.00 41.12 38.14 3i22 n ASP 141 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3i22 n TYR 142 N -1.67 0.00 0.14 1.24 0.18 -1.25 -2.88 117.16 112.93 3i22 n TYR 142 Ca 0.01 0.00 0.07 0.00 1.88 0.00 0.00 57.90 59.86 3i22 n TYR 142 Cb 0.50 -0.06 0.24 0.00 -0.38 0.00 0.00 39.34 39.64 3i22 n TYR 142 CO 0.00 0.00 0.00 -3.47 -2.08 0.00 0.00 176.86 171.31 3i22 n ASP 143 N 0.16 3.28 -0.12 9.48 2.03 -1.26 -4.19 116.55 125.93 3i22 n ASP 143 Ca 0.00 -2.24 -0.22 0.00 0.52 0.00 0.00 54.79 52.85 3i22 n ASP 143 Cb 0.15 -0.45 -0.08 0.00 -0.72 0.00 0.00 41.12 40.03 3i22 n ASP 143 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 3i22 n LYS 144 N 0.77 0.57 0.00 -0.67 2.85 -1.14 -5.05 118.16 115.48 3i22 n LYS 144 Ca 0.18 0.26 0.00 0.00 -1.05 0.00 0.00 58.31 57.69 3i22 n LYS 144 Cb 0.60 -1.48 0.00 0.00 -0.65 0.00 0.00 35.03 33.50 3i22 n LYS 144 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 3i22 n VAL 145 N -4.33 0.00 0.00 0.58 0.24 -1.26 -4.96 118.33 108.60 3i22 n VAL 145 Ca -0.40 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 61.90 3i22 n VAL 145 Cb 0.75 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.12 3i22 n VAL 145 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3i22 n ASP 146 N -2.53 0.71 -2.18 -1.34 10.43 -1.26 -4.98 116.55 115.40 3i22 n ASP 146 Ca 0.00 0.00 -0.23 0.00 2.57 0.00 0.00 54.79 57.13 3i22 n ASP 146 Cb 0.00 0.00 0.01 0.00 1.84 0.00 0.00 41.12 42.97 3i22 n ASP 146 CO 0.00 0.00 0.00 -2.11 -1.07 0.00 0.00 177.20 174.02 3i22 n ARG 147 N 0.00 2.14 -1.76 -1.24 0.00 -1.26 -4.97 116.66 109.57 3i22 n ARG 147 Ca 0.00 -2.09 0.00 0.00 -0.00 0.00 0.00 57.85 55.76 3i22 n ARG 147 Cb 0.00 -1.89 0.00 0.00 -0.00 0.00 0.00 32.46 30.57 3i22 n ARG 147 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 3i22 n VAL 148 N 0.37 -5.67 -3.46 8.89 0.24 -1.26 -5.09 118.33 112.34 3i22 n VAL 148 Ca 0.41 2.60 0.00 0.00 -2.04 0.00 0.00 64.34 65.31 3i22 n VAL 148 Cb 0.57 -3.50 0.00 0.00 -1.47 0.00 0.00 33.84 29.44 3i22 n VAL 148 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3i22 n ARG 149 N -0.35 2.07 0.00 7.34 5.12 -1.26 -5.05 116.66 124.54 3i22 n ARG 149 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3i22 n ARG 149 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 3i22 n ARG 149 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3i22 n GLY 150 N 3.38 2.48 3.75 -0.13 0.00 -1.26 -1.87 105.19 111.53 3i22 n GLY 150 Ca 0.00 -1.18 -0.05 0.00 0.00 0.00 0.00 46.02 44.79 3i22 n GLY 150 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3i22 s LEU 151 N 0.00 -0.21 0.42 0.99 -0.00 -1.26 -4.04 118.68 114.58 3i22 s LEU 151 Ca 0.00 -0.40 -0.23 0.00 -0.00 0.00 0.00 54.13 53.49 3i22 s LEU 151 Cb 0.00 2.26 -0.08 0.00 -0.00 0.00 0.00 46.19 48.37 3i22 s LEU 151 CO 0.00 -0.96 1.08 1.51 -0.00 0.00 0.00 176.35 177.98 3i22 s ASP 152 N -2.90 6.55 -0.33 1.48 3.84 -1.26 -2.53 116.67 121.52 3i22 s ASP 152 Ca 0.11 2.11 -0.01 0.00 -0.00 0.00 0.00 52.55 54.76 3i22 s ASP 152 Cb -0.02 -2.59 0.12 0.00 -1.38 0.00 0.00 42.92 39.05 3i22 s ASP 152 CO 0.02 -0.64 0.18 -0.63 -0.00 0.00 0.00 175.17 174.10 3i22 s ILE 153 N -1.65 0.21 0.11 2.11 1.01 -1.26 -3.39 121.20 118.35 3i22 s ILE 153 Ca 0.60 -1.42 0.03 0.00 0.00 0.00 0.00 60.65 59.86 3i22 s ILE 153 Cb -0.24 -1.17 -0.04 0.00 0.01 0.00 0.00 42.46 41.02 3i22 s ILE 153 CO 0.29 -0.87 0.16 -0.89 0.00 0.00 0.00 174.94 173.63 3i22 s THR 154 N 1.42 4.84 -0.19 2.92 2.01 -1.26 -1.27 115.64 124.10 3i22 s THR 154 Ca 0.14 -0.75 0.09 0.00 0.31 0.00 0.00 61.69 61.48 3i22 s THR 154 Cb -0.20 -3.40 -0.22 0.00 0.01 0.00 0.00 72.50 68.69 3i22 s THR 154 CO -0.14 0.03 0.09 -0.38 -0.69 0.00 0.00 174.62 173.53 3i22 n ILE 155 N 0.05 1.51 -3.32 1.82 -0.00 -1.26 -3.40 119.36 114.75 3i22 n ILE 155 Ca -0.07 -0.73 -0.30 0.00 -0.00 0.00 0.00 62.75 61.65 3i22 n ILE 155 Cb 0.53 -1.03 0.03 0.00 -0.00 0.00 0.00 39.64 39.17 3i22 n ILE 155 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.55 176.96 3i22 n THR 156 N -3.06 -5.82 -3.25 1.39 -1.04 -0.72 -3.39 114.28 98.40 3i22 n THR 156 Ca -0.35 0.33 -0.02 0.00 -2.04 0.00 0.00 64.05 61.97 3i22 n THR 156 Cb 1.07 -4.54 0.00 0.00 -1.82 0.00 0.00 70.33 65.04 3i22 n THR 156 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3i22 n THR 157 N -0.15 0.00 -1.30 12.58 -2.24 -1.23 -3.24 114.28 118.70 3i22 n THR 157 Ca -0.03 -0.14 -0.24 0.00 -2.27 0.00 0.00 64.05 61.37 3i22 n THR 157 Cb 0.61 -0.73 0.16 0.00 -2.10 0.00 0.00 70.33 68.27 3i22 n THR 157 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3i22 n THR 158 N -0.85 3.21 -2.66 4.28 -2.24 -1.26 -4.46 114.28 110.30 3i22 n THR 158 Ca 0.01 -2.28 -0.43 0.00 -2.27 0.00 0.00 64.05 59.08 3i22 n THR 158 Cb 0.04 -0.61 -0.02 0.00 -2.10 0.00 0.00 70.33 67.64 3i22 n THR 158 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i22 s ALA 159 N -3.41 3.62 0.35 6.98 0.00 -1.26 -4.70 121.76 123.33 3i22 s ALA 159 Ca 0.57 0.24 0.04 0.00 0.00 0.00 0.00 51.96 52.81 3i22 s ALA 159 Cb 0.48 -3.52 0.68 0.00 0.00 0.00 0.00 23.12 20.75 3i22 s ALA 159 CO 0.07 -0.94 1.96 1.57 0.00 0.00 0.00 175.76 178.42 3i22 h LYS 160 N 7.38 0.81 -4.33 0.00 5.09 -1.93 -3.35 116.57 120.24 3i22 h LYS 160 Ca -0.22 -0.05 -0.20 0.00 0.09 0.00 0.00 60.65 60.27 3i22 h LYS 160 Cb 1.08 -0.18 -0.19 0.00 0.10 0.00 0.00 32.23 33.04 3i22 h LYS 160 CO 0.95 0.53 -0.71 0.45 -2.09 0.00 0.00 179.45 178.59 3i22 s SER 161 N -6.23 0.63 0.10 7.07 0.15 -1.26 -4.73 113.70 109.44 3i22 s SER 161 Ca -0.10 -0.70 0.23 0.00 0.70 0.00 0.00 55.95 56.08 3i22 s SER 161 Cb 0.19 0.10 0.93 0.00 -1.71 0.00 0.00 66.02 65.53 3i22 s SER 161 CO 0.78 -0.36 1.73 0.47 1.20 0.00 0.00 173.24 177.06 3i22 n ASP 162 N 0.98 0.32 -0.34 5.45 8.00 -1.13 -1.64 116.55 128.18 3i22 n ASP 162 Ca -0.20 0.55 0.22 0.00 0.71 0.00 0.00 54.79 56.07 3i22 n ASP 162 Cb 0.57 -0.63 0.47 0.00 -0.02 0.00 0.00 41.12 41.51 3i22 n ASP 162 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 3i22 h GLU 163 N 0.00 0.42 -0.01 -1.24 4.81 -1.95 0.75 114.58 117.37 3i22 h GLU 163 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3i22 h GLU 163 Cb 0.46 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.75 3i22 h GLU 163 CO 0.00 0.28 -0.54 0.39 -0.73 0.00 0.00 179.01 178.41 3i22 n GLU 164 N -4.75 0.53 -0.14 1.92 4.71 -0.65 -4.11 120.64 118.14 3i22 n GLU 164 Ca 0.27 -0.38 0.22 0.00 -0.01 0.00 0.00 57.16 57.26 3i22 n GLU 164 Cb 0.88 -1.49 0.63 0.00 -1.01 0.00 0.00 31.44 30.44 3i22 n GLU 164 CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 177.13 178.00 3i22 h GLY 165 N 4.94 0.32 2.00 0.62 0.00 -0.84 0.58 103.07 110.70 3i22 h GLY 165 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.26 3i22 h GLY 165 CO 0.00 0.01 0.00 -0.96 0.00 0.00 0.00 176.54 175.59 3i22 n ARG 166 N -4.39 0.15 0.04 4.80 1.85 -1.25 -2.74 116.66 115.11 3i22 n ARG 166 Ca 0.16 0.17 -0.12 0.00 -1.00 0.00 0.00 57.85 57.05 3i22 n ARG 166 Cb 0.73 -1.69 -0.14 0.00 -1.05 0.00 0.00 32.46 30.32 3i22 n ARG 166 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3i22 h ALA 167 N 2.65 0.43 0.00 2.89 0.00 -0.08 -2.69 119.26 122.46 3i22 h ALA 167 Ca 0.00 -1.15 -0.01 0.00 0.00 0.00 0.00 54.91 53.75 3i22 h ALA 167 Cb 0.58 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 3i22 h ALA 167 CO 0.00 1.29 -0.06 -0.07 0.00 0.00 0.00 179.25 180.41 3i22 h LEU 168 N 0.03 0.00 -3.13 0.00 4.07 -1.36 -2.15 115.31 112.77 3i22 h LEU 168 Ca -0.19 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.77 3i22 h LEU 168 Cb 1.94 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.68 3i22 h LEU 168 CO 0.13 0.06 0.00 0.18 -1.08 0.00 0.00 178.44 177.73 3i22 n LEU 169 N -3.15 4.77 0.01 1.67 4.32 -1.11 -3.65 117.00 119.86 3i22 n LEU 169 Ca 0.01 -2.43 0.11 0.00 -0.02 0.00 0.00 56.01 53.68 3i22 n LEU 169 Cb 0.40 -0.58 -0.12 0.00 -1.62 0.00 0.00 43.42 41.50 3i22 n LEU 169 CO 0.31 0.83 -0.44 0.00 -1.22 0.00 0.00 177.39 176.86 3i22 n ALA 170 N 1.16 3.31 0.01 -1.18 0.00 -0.81 -2.89 120.51 120.11 3i22 n ALA 170 Ca 0.26 -0.50 -0.11 0.00 0.00 0.00 0.00 53.44 53.09 3i22 n ALA 170 Cb 0.89 -0.81 0.03 0.00 0.00 0.00 0.00 19.45 19.55 3i22 n ALA 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i22 h ALA 171 N 2.30 0.61 -3.56 0.00 0.00 -1.62 -3.41 119.26 113.58 3i22 h ALA 171 Ca 0.00 -0.55 -0.60 0.00 0.00 0.00 0.00 54.91 53.77 3i22 h ALA 171 Cb 0.85 -0.07 -0.39 0.00 0.00 0.00 0.00 17.79 18.19 3i22 h ALA 171 CO 0.00 0.71 -0.78 -0.06 0.00 0.00 0.00 179.25 179.12 3i22 s PHE 172 N -3.87 2.18 -0.40 0.00 0.08 -1.25 -4.88 117.98 109.83 3i22 s PHE 172 Ca -0.07 -1.63 -0.39 0.00 0.12 0.00 0.00 56.93 54.95 3i22 s PHE 172 Cb 0.11 -1.52 -0.15 0.00 -0.57 0.00 0.00 43.02 40.89 3i22 s PHE 172 CO 0.85 -0.75 2.10 -3.47 -0.10 0.00 0.00 175.22 173.85 3i22 n ASP 173 N 4.73 1.65 -4.85 1.36 2.03 -1.25 -4.63 116.55 115.60 3i22 n ASP 173 Ca -0.11 0.61 -0.37 0.00 0.52 0.00 0.00 54.79 55.44 3i22 n ASP 173 Cb 0.44 -1.11 -0.06 0.00 -0.72 0.00 0.00 41.12 39.67 3i22 n ASP 173 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 3i22 s PHE 174 N 6.29 3.55 0.00 -0.67 5.36 -1.14 -4.98 117.98 126.39 3i22 s PHE 174 Ca 1.12 0.48 0.00 0.00 -0.96 0.00 0.00 56.93 57.57 3i22 s PHE 174 Cb -1.13 -1.99 0.00 0.00 -0.34 0.00 0.00 43.02 39.57 3i22 s PHE 174 CO 0.58 0.64 0.96 -0.35 -1.46 0.00 0.00 175.22 175.58 3i22 n PRO 175 N 2.32 0.00 0.00 10.12 -0.04 -1.26 -4.82 135.00 141.33 3i22 n PRO 175 Ca -0.19 0.76 0.00 0.00 -0.04 0.00 0.00 63.50 64.03 3i22 n PRO 175 Cb 0.54 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 3i22 n PRO 175 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3i22 n PHE 176 N -2.45 0.00 -3.65 0.54 0.99 -1.26 -4.77 117.46 106.86 3i22 n PHE 176 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.45 57.43 3i22 n PHE 176 Cb 0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 39.48 38.41 3i22 n PHE 176 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.76 177.26 3i22 s ARG 177 N 0.00 0.05 0.00 -1.08 3.00 -1.26 -2.12 118.95 117.54 3i22 s ARG 177 Ca 0.00 0.07 0.06 0.00 -1.00 0.00 0.00 55.73 54.86 3i22 s ARG 177 Cb 0.00 0.02 0.36 0.00 0.00 0.00 0.00 34.95 35.33 3i22 s ARG 177 CO 0.00 -0.01 0.83 1.17 0.00 0.00 0.00 175.30 177.29