#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a71 n LEU 12 N 0.00 1.28 -4.03 -0.35 7.94 -1.26 -1.93 117.00 118.65 2a71 n LEU 12 Ca 0.00 0.91 -0.31 0.00 -1.11 0.00 0.00 56.01 55.50 2a71 n LEU 12 Cb 0.00 -1.22 -0.16 0.00 0.53 0.00 0.00 43.42 42.57 2a71 n LEU 12 CO 0.00 -2.38 -0.47 -0.55 -1.11 0.00 0.00 177.39 172.88 2a71 s SER 13 N -0.95 3.75 0.26 1.96 0.15 -1.05 -4.78 113.70 113.04 2a71 s SER 13 Ca 0.65 -1.05 0.05 0.00 0.70 0.00 0.00 55.95 56.30 2a71 s SER 13 Cb -0.55 -1.37 0.33 0.00 -1.71 0.00 0.00 66.02 62.73 2a71 s SER 13 CO 0.56 -0.15 1.62 -1.28 1.20 0.00 0.00 173.24 175.19 2a71 h SER 14 N 7.90 0.30 -0.47 5.45 0.87 -1.93 -3.13 113.55 122.53 2a71 h SER 14 Ca -0.27 -0.15 0.05 0.00 -1.23 0.00 0.00 61.79 60.20 2a71 h SER 14 Cb 1.08 -0.08 -0.05 0.00 -0.44 0.00 0.00 62.40 62.91 2a71 h SER 14 CO 0.49 0.75 0.19 0.44 -0.53 0.00 0.00 176.83 178.17 2a71 h ASP 15 N 0.22 0.22 -0.85 6.23 5.19 -1.97 -2.91 116.42 122.54 2a71 h ASP 15 Ca 0.01 0.05 -0.43 0.00 -0.62 0.00 0.00 57.03 56.03 2a71 h ASP 15 Cb 0.97 0.02 -0.26 0.00 0.18 0.00 0.00 39.33 40.23 2a71 h ASP 15 CO 0.08 0.16 0.49 -1.22 -3.12 0.00 0.00 179.24 175.63 2a71 n TYR 16 N -4.97 2.64 -4.34 4.55 4.01 -1.21 -4.95 117.16 112.88 2a71 n TYR 16 Ca 0.04 -1.77 -0.20 0.00 -0.16 0.00 0.00 57.90 55.81 2a71 n TYR 16 Cb 0.16 -0.84 -0.10 0.00 -0.31 0.00 0.00 39.34 38.25 2a71 n TYR 16 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 2a71 s SER 17 N -1.54 2.62 -0.35 7.72 0.01 -1.10 -4.24 113.70 116.81 2a71 s SER 17 Ca 0.54 -0.95 0.01 0.00 1.31 0.00 0.00 55.95 56.87 2a71 s SER 17 Cb 0.46 -0.15 0.10 0.00 0.21 0.00 0.00 66.02 66.64 2a71 s SER 17 CO 0.09 -0.11 0.08 -0.22 0.41 0.00 0.00 173.24 173.49 2a71 s LEU 18 N -3.04 4.75 0.39 2.44 2.96 0.19 -4.97 118.68 121.40 2a71 s LEU 18 Ca 0.19 -2.00 -0.26 0.00 -0.22 0.00 0.00 54.13 51.85 2a71 s LEU 18 Cb -0.03 -1.69 -0.11 0.00 0.50 0.00 0.00 46.19 44.86 2a71 s LEU 18 CO 0.07 -0.41 1.21 -2.65 -1.32 0.00 0.00 176.35 173.26 2a71 n PRO 19 N 4.40 1.85 -1.49 0.98 -0.02 -1.26 -1.73 135.00 137.73 2a71 n PRO 19 Ca -0.01 0.65 -0.57 0.00 -2.02 0.00 0.00 63.50 61.56 2a71 n PRO 19 Cb 0.42 -2.28 -0.09 0.00 -0.02 0.00 0.00 33.50 31.53 2a71 n PRO 19 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2a71 n ASP 20 N 0.47 1.69 -0.07 2.55 4.64 -1.26 -4.76 116.55 119.81 2a71 n ASP 20 Ca 0.07 0.75 0.00 0.00 -1.38 0.00 0.00 54.79 54.23 2a71 n ASP 20 Cb 0.38 -1.08 0.00 0.00 -1.04 0.00 0.00 41.12 39.38 2a71 n ASP 20 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 2a71 n LEU 21 N 7.34 0.09 -4.76 -2.67 4.77 -0.40 -4.74 117.00 116.63 2a71 n LEU 21 Ca 0.40 -0.04 -0.38 0.00 -0.03 0.00 0.00 56.01 55.96 2a71 n LEU 21 Cb 0.09 -0.04 0.02 0.00 -2.33 0.00 0.00 43.42 41.16 2a71 n LEU 21 CO 0.82 0.02 0.92 -0.51 -1.33 0.00 0.00 177.39 177.32 2a71 s ILE 22 N -1.86 2.50 -1.75 -0.08 1.10 -1.24 -2.70 121.20 117.17 2a71 s ILE 22 Ca 0.00 0.38 -0.19 0.00 -0.51 0.00 0.00 60.65 60.33 2a71 s ILE 22 Cb 0.00 -3.19 0.17 0.00 0.15 0.00 0.00 42.46 39.59 2a71 s ILE 22 CO 0.00 -0.00 0.70 0.59 -2.11 0.00 0.00 174.94 174.12 2a71 n ASN 23 N -0.79 -2.67 -4.48 4.50 3.02 -1.26 -4.93 115.26 108.65 2a71 n ASN 23 Ca 0.09 -1.09 -0.33 0.00 -0.03 0.00 0.00 54.58 53.22 2a71 n ASN 23 Cb 0.46 -2.39 -0.13 0.00 -0.61 0.00 0.00 39.78 37.11 2a71 n ASN 23 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2a71 s THR 24 N -3.33 3.47 0.00 3.41 2.01 -1.10 -5.08 115.64 115.02 2a71 s THR 24 Ca 0.73 -0.54 0.00 0.00 0.31 0.00 0.00 61.69 62.19 2a71 s THR 24 Cb -0.41 -2.45 0.00 0.00 0.01 0.00 0.00 72.50 69.65 2a71 s THR 24 CO 0.96 0.55 0.04 0.54 -0.69 0.00 0.00 174.62 176.02 2a71 n ARG 25 N 2.97 0.00 -4.30 4.92 5.12 -1.26 -4.68 116.66 119.42 2a71 n ARG 25 Ca -0.18 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.49 2a71 n ARG 25 Cb 0.53 -0.51 -0.08 0.00 -1.16 0.00 0.00 32.46 31.23 2a71 n ARG 25 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2a71 s LYS 26 N -0.09 2.12 0.09 5.56 1.02 -1.26 -5.01 119.74 122.18 2a71 s LYS 26 Ca 0.00 -1.86 -0.31 0.00 0.02 0.00 0.00 55.97 53.82 2a71 s LYS 26 Cb 0.00 -1.90 -0.08 0.00 -0.52 0.00 0.00 37.83 35.33 2a71 s LYS 26 CO 0.00 -0.01 1.46 0.08 -0.92 0.00 0.00 175.35 175.96 2a71 s VAL 27 N -2.59 3.23 0.29 3.17 1.01 -1.26 -4.91 120.40 119.35 2a71 s VAL 27 Ca 0.38 0.82 -0.26 0.00 0.00 0.00 0.00 61.98 62.91 2a71 s VAL 27 Cb 0.04 -3.53 -0.15 0.00 0.00 0.00 0.00 36.38 32.74 2a71 s VAL 27 CO 0.20 0.04 0.68 -2.65 0.00 0.00 0.00 175.10 173.38 2a71 n PRO 28 N 4.47 0.62 0.24 2.72 -0.02 -1.26 -4.85 135.00 136.92 2a71 n PRO 28 Ca 0.13 0.22 0.06 0.00 -2.02 0.00 0.00 63.50 61.89 2a71 n PRO 28 Cb 0.42 -1.42 0.55 0.00 -0.02 0.00 0.00 33.50 33.03 2a71 n PRO 28 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 2a71 h ASN 29 N 1.28 0.00 0.70 2.55 -1.24 -2.01 -2.20 115.58 114.67 2a71 h ASN 29 Ca -0.35 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.66 2a71 h ASN 29 Cb 1.39 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.44 2a71 h ASN 29 CO 0.57 0.12 0.00 -0.46 -1.29 0.00 0.00 177.43 176.37 2a71 n ASN 30 N -4.38 0.29 -4.70 1.15 6.94 -1.26 -4.76 115.26 108.54 2a71 n ASN 30 Ca -0.03 0.56 -0.26 0.00 -0.02 0.00 0.00 54.58 54.83 2a71 n ASN 30 Cb 0.19 -0.63 -0.07 0.00 -2.36 0.00 0.00 39.78 36.91 2a71 n ASN 30 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 2a71 s TRP 31 N -3.12 2.92 -0.10 -2.53 0.52 -0.83 -1.15 118.94 114.65 2a71 s TRP 31 Ca 0.07 -0.11 -0.02 0.00 0.02 0.00 0.00 56.10 56.06 2a71 s TRP 31 Cb 0.11 -1.41 0.04 0.00 -1.15 0.00 0.00 33.47 31.05 2a71 s TRP 31 CO 0.36 0.52 0.03 -1.14 0.02 0.00 0.00 176.95 176.74 2a71 s GLN 32 N -2.98 0.38 0.96 4.98 0.74 -0.95 -4.80 119.66 117.99 2a71 s GLN 32 Ca 0.28 0.03 -0.13 0.00 0.05 0.00 0.00 55.36 55.60 2a71 s GLN 32 Cb -0.09 -1.24 0.17 0.00 1.10 0.00 0.00 33.01 32.95 2a71 s GLN 32 CO 0.20 -0.43 1.13 0.95 -0.55 0.00 0.00 175.29 176.58 2a71 s THR 33 N 2.02 1.98 0.16 -0.34 -4.23 -1.26 -2.72 115.64 111.25 2a71 s THR 33 Ca 0.03 0.00 -0.21 0.00 -1.18 0.00 0.00 61.69 60.34 2a71 s THR 33 Cb -0.14 -2.65 0.05 0.00 1.34 0.00 0.00 72.50 71.10 2a71 s THR 33 CO -0.06 0.00 0.55 -0.83 -0.54 0.00 0.00 174.62 173.74 2a71 s GLY 34 N -3.85 -0.45 0.00 3.99 0.00 -0.20 -4.89 107.32 101.92 2a71 s GLY 34 Ca 0.65 0.24 0.00 0.00 0.00 0.00 0.00 44.72 45.61 2a71 s GLY 34 CO 0.55 -0.01 0.00 1.18 0.00 0.00 0.00 173.10 174.82 2a71 n GLU 35 N -0.35 0.00 -1.25 2.90 4.71 -1.26 -2.03 120.64 123.36 2a71 n GLU 35 Ca -0.15 0.00 -0.26 0.00 -0.01 0.00 0.00 57.16 56.74 2a71 n GLU 35 Cb 0.64 0.00 0.15 0.00 -1.01 0.00 0.00 31.44 31.22 2a71 n GLU 35 CO 0.00 0.00 0.00 0.94 0.09 0.00 0.00 177.13 178.16 2a71 n GLN 36 N 14.00 2.39 -3.08 3.49 7.27 -0.43 -4.93 117.38 136.08 2a71 n GLN 36 Ca 0.00 -3.14 -0.31 0.00 0.07 0.00 0.00 57.00 53.62 2a71 n GLN 36 Cb 0.00 -2.19 -0.04 0.00 2.41 0.00 0.00 30.24 30.42 2a71 n GLN 36 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2a71 s ALA 37 N -3.47 3.42 0.11 1.69 0.00 -0.86 -4.53 121.76 118.13 2a71 s ALA 37 Ca 0.58 -0.23 -0.25 0.00 0.00 0.00 0.00 51.96 52.06 2a71 s ALA 37 Cb 0.48 -2.60 0.07 0.00 0.00 0.00 0.00 23.12 21.07 2a71 s ALA 37 CO 0.06 0.18 0.80 -1.54 0.00 0.00 0.00 175.76 175.26 2a71 s SER 38 N -2.86 -0.37 -0.47 0.00 1.04 -1.00 -4.72 113.70 105.32 2a71 s SER 38 Ca 0.50 -0.16 -0.18 0.00 0.48 0.00 0.00 55.95 56.59 2a71 s SER 38 Cb -0.10 0.52 0.05 0.00 0.10 0.00 0.00 66.02 66.58 2a71 s SER 38 CO 0.27 -0.88 0.51 -0.22 0.98 0.00 0.00 173.24 173.90 2a71 s LEU 39 N -2.71 5.07 0.00 2.42 0.20 -1.26 -1.86 118.68 120.53 2a71 s LEU 39 Ca 0.06 -0.91 0.00 0.00 0.69 0.00 0.00 54.13 53.97 2a71 s LEU 39 Cb -0.02 -2.38 0.00 0.00 -0.43 0.00 0.00 46.19 43.37 2a71 s LEU 39 CO -0.06 -0.73 0.00 -0.62 -0.29 0.00 0.00 176.35 174.65 2a71 n GLU 40 N 5.76 2.00 -2.16 1.98 1.02 -0.96 -4.94 120.64 123.34 2a71 n GLU 40 Ca -0.08 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.76 2a71 n GLU 40 Cb 0.46 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.83 2a71 n GLU 40 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2a71 s GLU 41 N 4.60 2.78 -1.43 3.49 2.56 -1.26 -4.11 118.70 125.34 2a71 s GLU 41 Ca 0.00 -0.46 -0.10 0.00 0.00 0.00 0.00 54.97 54.41 2a71 s GLU 41 Cb 0.00 -5.12 0.05 0.00 2.00 0.00 0.00 34.13 31.06 2a71 s GLU 41 CO 0.00 -3.11 1.00 0.41 -0.56 0.00 0.00 175.26 173.00 2a71 n GLY 42 N 6.84 -0.47 3.60 -1.50 0.00 -1.26 -4.96 105.19 107.44 2a71 n GLY 42 Ca 0.38 0.20 -0.03 0.00 0.00 0.00 0.00 46.02 46.57 2a71 n GLY 42 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2a71 s ARG 43 N -6.36 0.48 -0.25 1.61 1.70 -1.25 -3.62 118.95 111.26 2a71 s ARG 43 Ca 0.50 -0.22 -0.08 0.00 -0.47 0.00 0.00 55.73 55.47 2a71 s ARG 43 Cb -0.24 0.20 -0.04 0.00 -0.57 0.00 0.00 34.95 34.30 2a71 s ARG 43 CO 0.79 -0.21 0.10 0.42 -1.08 0.00 0.00 175.30 175.32 2a71 s ILE 44 N -2.59 4.62 -0.19 4.99 1.01 -0.45 -2.26 121.20 126.32 2a71 s ILE 44 Ca 0.10 -0.07 -0.15 0.00 0.00 0.00 0.00 60.65 60.53 2a71 s ILE 44 Cb 0.01 -3.17 -0.04 0.00 0.01 0.00 0.00 42.46 39.27 2a71 s ILE 44 CO -0.04 0.33 0.36 -0.69 0.00 0.00 0.00 174.94 174.90 2a71 s VAL 45 N 1.51 5.23 -0.05 2.92 1.01 -0.78 -0.48 120.40 129.77 2a71 s VAL 45 Ca 0.06 0.64 0.07 0.00 0.00 0.00 0.00 61.98 62.75 2a71 s VAL 45 Cb -0.15 -3.70 -0.24 0.00 0.00 0.00 0.00 36.38 32.29 2a71 s VAL 45 CO 0.05 0.29 0.65 -0.07 0.00 0.00 0.00 175.10 176.02 2a71 h LEU 46 N 7.41 0.12 -7.11 3.92 3.38 -1.20 -2.66 115.31 119.17 2a71 h LEU 46 Ca -0.37 -0.24 -0.36 0.00 0.09 0.00 0.00 57.88 57.00 2a71 h LEU 46 Cb 1.16 -0.04 -0.38 0.00 0.09 0.00 0.00 40.66 41.50 2a71 h LEU 46 CO 0.72 1.22 -0.68 0.42 0.09 0.00 0.00 178.44 180.20 2a71 s THR 47 N -2.60 -0.20 -0.12 0.22 -4.23 -1.23 -2.00 115.64 105.48 2a71 s THR 47 Ca -0.08 0.13 -0.08 0.00 -1.18 0.00 0.00 61.69 60.48 2a71 s THR 47 Cb 0.08 -0.42 -0.05 0.00 1.34 0.00 0.00 72.50 73.44 2a71 s THR 47 CO 0.82 -0.03 -0.19 -1.54 -0.54 0.00 0.00 174.62 173.13 2a71 n SER 48 N 5.31 1.19 -4.83 3.99 3.41 -1.26 -3.63 113.62 117.79 2a71 n SER 48 Ca -0.05 0.20 -0.31 0.00 -0.26 0.00 0.00 58.87 58.44 2a71 n SER 48 Cb 0.50 -0.47 0.03 0.00 -0.26 0.00 0.00 64.21 64.01 2a71 n SER 48 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2a71 s ASN 49 N -6.21 5.73 0.24 4.04 0.01 -1.26 -4.69 114.94 112.80 2a71 s ASN 49 Ca -0.19 1.62 -0.31 0.00 -0.71 0.00 0.00 52.86 53.27 2a71 s ASN 49 Cb 0.06 -2.50 -0.13 0.00 0.41 0.00 0.00 41.25 39.09 2a71 s ASN 49 CO 0.25 -1.21 1.50 0.00 -1.51 0.00 0.00 177.10 176.13 2a71 n GLN 50 N -2.68 2.27 -3.51 -0.60 6.02 -1.26 -2.50 117.38 115.13 2a71 n GLN 50 Ca 0.07 0.81 -0.21 0.00 -0.01 0.00 0.00 57.00 57.66 2a71 n GLN 50 Cb 0.53 -2.53 0.08 0.00 1.02 0.00 0.00 30.24 29.35 2a71 n GLN 50 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2a71 n ASN 51 N 2.42 -5.25 -4.92 1.08 2.85 -0.97 -5.01 115.26 105.46 2a71 n ASN 51 Ca 0.12 -0.53 -0.20 0.00 -0.11 0.00 0.00 54.58 53.85 2a71 n ASN 51 Cb 0.33 -4.85 -0.02 0.00 1.24 0.00 0.00 39.78 36.48 2a71 n ASN 51 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 2a71 s SER 52 N -3.53 5.80 -0.05 1.20 1.04 -1.04 -4.80 113.70 112.31 2a71 s SER 52 Ca 0.43 -0.22 -0.03 0.00 0.48 0.00 0.00 55.95 56.61 2a71 s SER 52 Cb -0.19 -1.33 0.02 0.00 0.10 0.00 0.00 66.02 64.62 2a71 s SER 52 CO 0.70 -0.27 0.13 -0.54 0.98 0.00 0.00 173.24 174.23 2a71 s LYS 53 N -4.03 0.11 0.05 4.02 1.02 -1.26 -2.45 119.74 117.20 2a71 s LYS 53 Ca 0.40 0.25 -0.01 0.00 0.02 0.00 0.00 55.97 56.63 2a71 s LYS 53 Cb -0.08 -0.04 -0.04 0.00 -0.52 0.00 0.00 37.83 37.15 2a71 s LYS 53 CO 0.28 -0.08 -0.03 0.20 -0.92 0.00 0.00 175.35 174.80 2a71 s GLY 54 N 0.54 0.45 0.03 -3.33 0.00 -0.85 -1.32 107.32 102.84 2a71 s GLY 54 Ca -0.04 -1.08 -0.02 0.00 0.00 0.00 0.00 44.72 43.58 2a71 s GLY 54 CO -0.02 -1.18 0.00 -1.35 0.00 0.00 0.00 173.10 170.54 2a71 s SER 55 N -2.60 0.29 -0.29 1.64 1.04 -0.98 -2.21 113.70 110.60 2a71 s SER 55 Ca 0.02 -0.64 0.04 0.00 0.48 0.00 0.00 55.95 55.85 2a71 s SER 55 Cb 0.04 0.16 0.18 0.00 0.10 0.00 0.00 66.02 66.49 2a71 s SER 55 CO -0.07 -0.43 0.50 -0.22 0.98 0.00 0.00 173.24 174.00 2a71 s LEU 56 N -2.00 -1.22 0.35 2.42 2.96 -0.81 -1.03 118.68 119.35 2a71 s LEU 56 Ca -0.07 -0.02 0.09 0.00 -0.22 0.00 0.00 54.13 53.90 2a71 s LEU 56 Cb -0.03 1.61 -0.05 0.00 0.50 0.00 0.00 46.19 48.21 2a71 s LEU 56 CO -0.04 -0.32 0.03 0.26 -1.32 0.00 0.00 176.35 174.95 2a71 s TRP 57 N 2.70 2.56 0.43 5.38 0.52 -1.10 -1.80 118.94 127.62 2a71 s TRP 57 Ca 0.11 -0.45 -0.21 0.00 0.02 0.00 0.00 56.10 55.56 2a71 s TRP 57 Cb -0.12 -1.54 -0.11 0.00 -1.15 0.00 0.00 33.47 30.56 2a71 s TRP 57 CO -0.27 0.45 0.96 -0.51 0.02 0.00 0.00 176.95 177.60 2a71 s LEU 58 N -3.73 3.94 0.06 2.99 1.43 -0.85 -2.25 118.68 120.27 2a71 s LEU 58 Ca 0.35 1.71 -0.15 0.00 -1.03 0.00 0.00 54.13 55.01 2a71 s LEU 58 Cb 0.01 -4.53 -0.23 0.00 0.03 0.00 0.00 46.19 41.46 2a71 s LEU 58 CO 0.20 -0.38 1.17 0.11 0.23 0.00 0.00 176.35 177.68 2a71 h LYS 59 N 1.90 0.65 -6.22 1.70 1.57 -1.48 -3.45 116.57 111.25 2a71 h LYS 59 Ca -0.49 -0.69 -0.48 0.00 -1.87 0.00 0.00 60.65 57.12 2a71 h LYS 59 Cb 1.18 0.20 -0.02 0.00 0.08 0.00 0.00 32.23 33.67 2a71 h LYS 59 CO 0.61 1.28 -0.36 -0.65 -0.57 0.00 0.00 179.45 179.76 2a71 s GLN 60 N -3.31 2.61 0.29 3.15 -1.52 -1.26 -4.82 119.66 114.79 2a71 s GLN 60 Ca -0.11 -1.46 0.06 0.00 -1.95 0.00 0.00 55.36 51.91 2a71 s GLN 60 Cb 0.06 -2.46 -0.02 0.00 -0.22 0.00 0.00 33.01 30.37 2a71 s GLN 60 CO 0.90 -0.18 0.37 0.20 -0.25 0.00 0.00 175.29 176.34 2a71 s GLY 61 N -4.16 1.44 -0.21 3.09 0.00 -1.26 -4.81 107.32 101.41 2a71 s GLY 61 Ca 0.49 -1.39 -0.13 0.00 0.00 0.00 0.00 44.72 43.69 2a71 s GLY 61 CO 0.29 -1.36 0.25 -0.12 0.00 0.00 0.00 173.10 172.16 2a71 s PHE 62 N -2.11 3.37 -0.23 1.90 5.36 -0.23 -4.86 117.98 121.18 2a71 s PHE 62 Ca 0.39 0.42 -0.23 0.00 -0.96 0.00 0.00 56.93 56.55 2a71 s PHE 62 Cb -0.09 -2.34 -0.01 0.00 -0.34 0.00 0.00 43.02 40.24 2a71 s PHE 62 CO 0.29 0.11 0.76 0.34 -1.46 0.00 0.00 175.22 175.26 2a71 s ASP 63 N 0.85 6.77 -0.59 6.13 3.68 -1.26 -1.03 116.67 131.22 2a71 s ASP 63 Ca 0.13 0.95 -0.22 0.00 2.13 0.00 0.00 52.55 55.54 2a71 s ASP 63 Cb -0.13 -2.40 0.06 0.00 -1.45 0.00 0.00 42.92 38.99 2a71 s ASP 63 CO 0.04 -0.44 0.88 -0.22 0.13 0.00 0.00 175.17 175.57 2a71 s LEU 64 N 2.57 4.45 -0.07 -1.34 0.20 -0.70 -4.84 118.68 118.95 2a71 s LEU 64 Ca 0.33 -0.79 -0.10 0.00 0.69 0.00 0.00 54.13 54.25 2a71 s LEU 64 Cb -0.16 -2.55 -0.03 0.00 -0.43 0.00 0.00 46.19 43.02 2a71 s LEU 64 CO 0.09 -1.26 -0.19 0.29 -0.29 0.00 0.00 176.35 174.99 2a71 n LYS 65 N 7.28 0.29 0.00 1.98 5.02 -1.26 -4.18 118.16 127.29 2a71 n LYS 65 Ca -0.03 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 2a71 n LYS 65 Cb 0.46 -0.99 0.00 0.00 -0.02 0.00 0.00 35.03 34.48 2a71 n LYS 65 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2a71 n ASP 66 N -3.91 0.48 -4.05 4.39 5.68 -1.26 -5.09 116.55 112.78 2a71 n ASP 66 Ca -0.08 0.00 -0.37 0.00 -0.50 0.00 0.00 54.79 53.84 2a71 n ASP 66 Cb 0.29 0.00 0.05 0.00 -1.14 0.00 0.00 41.12 40.32 2a71 n ASP 66 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 2a71 n SER 67 N 0.00 -3.57 -1.94 -1.12 7.64 -1.26 -4.91 113.62 108.46 2a71 n SER 67 Ca 0.00 0.04 -0.04 0.00 1.01 0.00 0.00 58.87 59.87 2a71 n SER 67 Cb 0.00 -0.64 0.01 0.00 -1.01 0.00 0.00 64.21 62.57 2a71 n SER 67 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 2a71 n PHE 68 N -3.39 -1.65 -3.56 1.43 1.16 -1.04 -3.30 117.46 107.11 2a71 n PHE 68 Ca -0.01 -0.93 -0.00 0.00 -1.87 0.00 0.00 57.45 54.63 2a71 n PHE 68 Cb 0.69 0.47 -0.04 0.00 -1.61 0.00 0.00 39.48 38.99 2a71 n PHE 68 CO 0.00 0.00 0.00 0.99 -1.87 0.00 0.00 176.76 175.88 2a71 s THR 69 N -2.52 -0.97 -0.13 1.97 2.01 -0.53 -2.53 115.64 112.94 2a71 s THR 69 Ca 0.08 0.00 0.03 0.00 0.31 0.00 0.00 61.69 62.11 2a71 s THR 69 Cb -0.02 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.49 2a71 s THR 69 CO 0.06 0.00 -0.22 -0.32 -0.69 0.00 0.00 174.62 173.45 2a71 s MET 70 N 2.87 3.02 -0.19 4.92 0.00 0.20 -0.85 119.30 129.26 2a71 s MET 70 Ca -0.02 -0.86 0.01 0.00 0.00 0.00 0.00 55.69 54.83 2a71 s MET 70 Cb -0.12 -2.40 0.03 0.00 0.00 0.00 0.00 34.83 32.33 2a71 s MET 70 CO -0.19 0.02 -0.18 -1.21 0.00 0.00 0.00 175.02 173.46 2a71 s GLU 71 N 0.72 2.76 -0.06 4.11 2.02 -0.43 0.42 118.70 128.24 2a71 s GLU 71 Ca -0.09 -0.87 -0.01 0.00 0.02 0.00 0.00 54.97 54.02 2a71 s GLU 71 Cb -0.16 -2.55 -0.03 0.00 0.10 0.00 0.00 34.13 31.49 2a71 s GLU 71 CO 0.00 -0.27 0.01 -1.58 0.02 0.00 0.00 175.26 173.44 2a71 s TRP 72 N 1.29 3.15 -0.21 1.61 0.52 0.73 -1.44 118.94 124.60 2a71 s TRP 72 Ca 0.03 0.17 -0.01 0.00 0.02 0.00 0.00 56.10 56.31 2a71 s TRP 72 Cb -0.14 -1.76 0.06 0.00 -1.15 0.00 0.00 33.47 30.48 2a71 s TRP 72 CO -0.11 0.47 -0.02 0.99 0.02 0.00 0.00 176.95 178.30 2a71 s THR 73 N -0.95 1.08 0.23 2.01 2.01 -0.26 -0.71 115.64 119.05 2a71 s THR 73 Ca 0.15 -0.86 0.02 0.00 0.31 0.00 0.00 61.69 61.32 2a71 s THR 73 Cb -0.11 -1.41 -0.01 0.00 0.01 0.00 0.00 72.50 70.98 2a71 s THR 73 CO 0.05 -0.09 0.08 2.22 -0.69 0.00 0.00 174.62 176.18 2a71 n PHE 74 N 4.85 0.11 -3.62 4.92 1.16 -1.01 -0.97 117.46 122.89 2a71 n PHE 74 Ca -0.11 -1.48 -0.08 0.00 -1.87 0.00 0.00 57.45 53.91 2a71 n PHE 74 Cb 0.46 -0.01 -0.06 0.00 -1.61 0.00 0.00 39.48 38.25 2a71 n PHE 74 CO 0.00 0.00 0.00 0.50 -1.87 0.00 0.00 176.76 175.39 2a71 s ARG 75 N -2.89 0.42 -0.26 3.97 3.52 -0.59 -2.78 118.95 120.34 2a71 s ARG 75 Ca 0.11 0.34 -0.01 0.00 -0.13 0.00 0.00 55.73 56.04 2a71 s ARG 75 Cb 0.01 0.20 0.04 0.00 -1.56 0.00 0.00 34.95 33.63 2a71 s ARG 75 CO 0.08 -0.08 -0.05 0.45 -0.81 0.00 0.00 175.30 174.89 2a71 s SER 76 N -0.25 4.49 0.38 -2.12 0.15 -1.25 -1.77 113.70 113.32 2a71 s SER 76 Ca 0.03 -1.03 0.08 0.00 0.70 0.00 0.00 55.95 55.73 2a71 s SER 76 Cb -0.03 -1.67 -0.06 0.00 -1.71 0.00 0.00 66.02 62.55 2a71 s SER 76 CO -0.06 -0.17 0.09 0.68 1.20 0.00 0.00 173.24 174.98 2a71 s VAL 77 N 1.29 2.43 0.00 4.45 -7.23 -0.89 -3.17 120.40 117.29 2a71 s VAL 77 Ca -0.02 -1.84 0.00 0.00 -1.81 0.00 0.00 61.98 58.31 2a71 s VAL 77 Cb -0.18 -2.92 0.00 0.00 0.56 0.00 0.00 36.38 33.84 2a71 s VAL 77 CO -0.04 -0.09 0.00 0.61 -0.31 0.00 0.00 175.10 175.28 2a71 n GLY 78 N -1.09 0.82 3.62 2.32 0.00 -1.26 -1.11 105.19 108.49 2a71 n GLY 78 Ca -0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 2a71 n GLY 78 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2a71 s TYR 79 N -3.16 -0.44 -0.23 1.61 5.04 -1.26 -4.57 117.35 114.34 2a71 s TYR 79 Ca 0.00 0.98 -0.04 0.00 -2.44 0.00 0.00 57.07 55.58 2a71 s TYR 79 Cb 0.00 0.39 0.08 0.00 0.35 0.00 0.00 41.96 42.78 2a71 s TYR 79 CO 0.00 -0.26 0.09 0.45 -1.34 0.00 0.00 175.55 174.49 2a71 s SER 80 N -0.19 3.10 0.00 4.32 0.15 -1.26 -4.30 113.70 115.53 2a71 s SER 80 Ca 0.02 -1.02 0.00 0.00 0.70 0.00 0.00 55.95 55.64 2a71 s SER 80 Cb -0.04 -0.46 0.00 0.00 -1.71 0.00 0.00 66.02 63.82 2a71 s SER 80 CO -0.04 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 174.64 2a71 n GLY 81 N 5.15 2.73 3.66 9.45 0.00 -1.26 -5.11 105.19 119.81 2a71 n GLY 81 Ca -0.06 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 2a71 n GLY 81 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2a71 s GLN 82 N -2.00 4.16 0.18 1.61 0.74 -1.26 -4.99 119.66 118.09 2a71 s GLN 82 Ca 0.00 2.44 0.03 0.00 0.05 0.00 0.00 55.36 57.87 2a71 s GLN 82 Cb 0.00 -4.03 -0.05 0.00 1.10 0.00 0.00 33.01 30.03 2a71 s GLN 82 CO 0.00 -0.89 -0.03 0.95 -0.55 0.00 0.00 175.29 174.77 2a71 s THR 83 N 4.10 0.89 -2.00 -0.34 -4.23 -1.26 -5.02 115.64 107.78 2a71 s THR 83 Ca 0.81 -2.01 0.13 0.00 -1.18 0.00 0.00 61.69 59.45 2a71 s THR 83 Cb -0.39 -2.08 0.38 0.00 1.34 0.00 0.00 72.50 71.74 2a71 s THR 83 CO 0.36 -0.53 1.32 -0.90 -0.54 0.00 0.00 174.62 174.34 2a71 n ASP 84 N -0.26 0.00 -4.25 3.99 5.75 -1.26 -4.17 116.55 116.34 2a71 n ASP 84 Ca -0.07 -1.07 -0.30 0.00 -0.01 0.00 0.00 54.79 53.34 2a71 n ASP 84 Cb 0.63 0.00 0.18 0.00 -1.03 0.00 0.00 41.12 40.90 2a71 n ASP 84 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2a71 s GLY 85 N -1.67 1.66 0.00 6.12 0.00 -1.26 -4.83 107.32 107.35 2a71 s GLY 85 Ca 0.20 -0.93 0.00 0.00 0.00 0.00 0.00 44.72 43.98 2a71 s GLY 85 CO 0.15 -0.20 0.00 0.61 0.00 0.00 0.00 173.10 173.66 2a71 n GLY 86 N -2.59 1.87 3.40 0.20 0.00 -1.00 -4.55 105.19 102.51 2a71 n GLY 86 Ca 0.12 -0.57 -0.32 0.00 0.00 0.00 0.00 46.02 45.26 2a71 n GLY 86 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2a71 s ILE 87 N -2.00 2.57 -0.03 -0.61 2.07 -0.21 -2.42 121.20 120.57 2a71 s ILE 87 Ca 0.00 -0.98 0.00 0.00 -1.41 0.00 0.00 60.65 58.26 2a71 s ILE 87 Cb 0.00 -1.98 0.03 0.00 0.13 0.00 0.00 42.46 40.64 2a71 s ILE 87 CO 0.00 0.54 0.01 -0.94 -1.91 0.00 0.00 174.94 172.63 2a71 s SER 88 N -0.82 0.31 -0.09 4.50 1.04 -0.05 -0.41 113.70 118.18 2a71 s SER 88 Ca 0.11 -0.01 -0.02 0.00 0.48 0.00 0.00 55.95 56.52 2a71 s SER 88 Cb -0.10 -0.17 -0.03 0.00 0.10 0.00 0.00 66.02 65.81 2a71 s SER 88 CO 0.01 -0.10 -0.02 -0.36 0.98 0.00 0.00 173.24 173.74 2a71 s PHE 89 N 0.98 3.08 -0.01 5.02 0.08 -0.84 -1.62 117.98 124.67 2a71 s PHE 89 Ca -0.09 0.08 0.08 0.00 0.12 0.00 0.00 56.93 57.12 2a71 s PHE 89 Cb -0.13 -1.80 -0.02 0.00 -0.57 0.00 0.00 43.02 40.50 2a71 s PHE 89 CO -0.02 0.36 -0.26 -1.58 -0.10 0.00 0.00 175.22 173.62 2a71 s TRP 90 N -0.66 2.30 -0.39 0.36 0.52 -0.81 -1.38 118.94 118.88 2a71 s TRP 90 Ca 0.10 -0.43 0.02 0.00 0.02 0.00 0.00 56.10 55.81 2a71 s TRP 90 Cb -0.12 -1.47 0.15 0.00 -1.15 0.00 0.00 33.47 30.89 2a71 s TRP 90 CO 0.02 -0.01 0.27 0.12 0.02 0.00 0.00 176.95 177.37 2a71 s PHE 91 N -0.64 1.06 0.05 -1.98 5.36 -0.09 -3.26 117.98 118.47 2a71 s PHE 91 Ca 0.10 -2.01 0.04 0.00 -0.96 0.00 0.00 56.93 54.10 2a71 s PHE 91 Cb -0.10 -1.05 -0.02 0.00 -0.34 0.00 0.00 43.02 41.50 2a71 s PHE 91 CO -0.00 -0.82 -0.12 0.14 -1.46 0.00 0.00 175.22 172.96 2a71 s VAL 92 N 0.55 0.90 0.15 3.12 -7.23 -1.07 -1.09 120.40 115.73 2a71 s VAL 92 Ca 0.24 -1.06 -0.30 0.00 -1.81 0.00 0.00 61.98 59.05 2a71 s VAL 92 Cb -0.12 -0.87 -0.07 0.00 0.56 0.00 0.00 36.38 35.88 2a71 s VAL 92 CO -0.07 -0.17 1.04 -1.58 -0.31 0.00 0.00 175.10 174.01 2a71 s GLN 93 N -1.37 4.65 0.05 4.82 0.74 0.77 0.15 119.66 129.47 2a71 s GLN 93 Ca -0.03 1.60 -0.28 0.00 0.05 0.00 0.00 55.36 56.70 2a71 s GLN 93 Cb -0.09 -3.32 0.10 0.00 1.10 0.00 0.00 33.01 30.80 2a71 s GLN 93 CO 0.01 0.15 1.13 0.34 -0.55 0.00 0.00 175.29 176.37 2a71 s ASP 94 N -0.10 -0.12 0.19 6.67 -1.08 -1.02 -4.56 116.67 116.66 2a71 s ASP 94 Ca 0.48 -0.25 -0.06 0.00 -0.52 0.00 0.00 52.55 52.20 2a71 s ASP 94 Cb -0.27 0.31 0.10 0.00 -1.46 0.00 0.00 42.92 41.60 2a71 s ASP 94 CO 0.33 -0.57 1.56 -1.28 0.52 0.00 0.00 175.17 175.73 2a71 h SER 95 N 2.00 0.84 -0.84 -0.34 0.87 -1.97 -3.44 113.55 110.68 2a71 h SER 95 Ca -0.27 -0.35 0.00 0.00 -1.23 0.00 0.00 61.79 59.94 2a71 h SER 95 Cb 1.21 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.94 2a71 h SER 95 CO 0.27 1.09 0.00 -0.46 -0.53 0.00 0.00 176.83 177.20 2a71 n ASN 96 N -4.07 0.00 -4.48 6.23 0.23 -1.26 -4.93 115.26 106.98 2a71 n ASN 96 Ca -0.01 -0.80 -0.64 0.00 -0.53 0.00 0.00 54.58 52.61 2a71 n ASN 96 Cb 0.49 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 38.08 2a71 n ASN 96 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 2a71 n ILE 97 N 0.00 0.00 -1.61 1.53 5.41 -1.26 -4.72 119.36 118.71 2a71 n ILE 97 Ca 0.00 -0.00 -0.52 0.00 1.00 0.00 0.00 62.75 63.23 2a71 n ILE 97 Cb 0.00 -0.51 -0.06 0.00 -0.71 0.00 0.00 39.64 38.36 2a71 n ILE 97 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 2a71 n PRO 98 N 5.90 1.26 0.02 0.38 -0.02 -1.26 -4.89 135.00 136.38 2a71 n PRO 98 Ca 0.44 0.45 -0.13 0.00 -2.02 0.00 0.00 63.50 62.25 2a71 n PRO 98 Cb -0.05 -2.12 -0.09 0.00 -0.02 0.00 0.00 33.50 31.22 2a71 n PRO 98 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2a71 h ARG 99 N 5.10 -0.08 -6.98 -0.52 3.08 -2.00 -3.46 114.38 109.52 2a71 h ARG 99 Ca -0.47 0.01 -0.56 0.00 0.07 0.00 0.00 59.98 59.03 2a71 h ARG 99 Cb 1.33 0.02 0.14 0.00 0.08 0.00 0.00 29.97 31.53 2a71 h ARG 99 CO 0.81 0.37 0.56 -3.47 -1.07 0.00 0.00 179.97 177.17 2a71 n ASP 100 N -4.90 2.58 -1.72 7.04 2.03 -1.26 -4.95 116.55 115.36 2a71 n ASP 100 Ca -0.08 1.00 0.02 0.00 0.52 0.00 0.00 54.79 56.25 2a71 n ASP 100 Cb 0.25 -1.55 0.05 0.00 -0.72 0.00 0.00 41.12 39.14 2a71 n ASP 100 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2a71 n LYS 101 N -0.77 0.65 -0.00 -0.67 4.76 -1.25 -2.99 118.16 117.89 2a71 n LYS 101 Ca 0.10 -2.53 0.10 0.00 -2.87 0.00 0.00 58.31 53.11 2a71 n LYS 101 Cb 0.44 -0.58 -0.13 0.00 -1.84 0.00 0.00 35.03 32.91 2a71 n LYS 101 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 2a71 n GLN 102 N 0.06 0.43 -3.92 1.97 6.02 -0.61 -3.79 117.38 117.53 2a71 n GLN 102 Ca 0.09 -0.08 -0.33 0.00 -0.01 0.00 0.00 57.00 56.67 2a71 n GLN 102 Cb 1.02 -1.48 -0.14 0.00 1.02 0.00 0.00 30.24 30.67 2a71 n GLN 102 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2a71 s LEU 103 N -3.57 4.85 -1.38 1.08 2.96 -0.10 -4.69 118.68 117.82 2a71 s LEU 103 Ca 0.01 -2.34 -0.05 0.00 -0.22 0.00 0.00 54.13 51.54 2a71 s LEU 103 Cb 0.15 -1.70 0.03 0.00 0.50 0.00 0.00 46.19 45.16 2a71 s LEU 103 CO 0.85 -0.39 0.37 -1.22 -1.32 0.00 0.00 176.35 174.64 2a71 n TYR 104 N 4.07 -1.69 -1.14 5.38 4.01 -1.26 -1.64 117.16 124.89 2a71 n TYR 104 Ca 0.03 0.33 -0.05 0.00 -0.16 0.00 0.00 57.90 58.05 2a71 n TYR 104 Cb 0.40 -3.55 -0.02 0.00 -0.31 0.00 0.00 39.34 35.86 2a71 n TYR 104 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2a71 n ASN 105 N -2.23 -4.10 -1.40 7.72 5.15 -1.25 -3.19 115.26 115.96 2a71 n ASN 105 Ca -0.10 0.12 0.00 0.00 -0.60 0.00 0.00 54.58 54.00 2a71 n ASN 105 Cb 0.60 -2.02 0.00 0.00 -0.53 0.00 0.00 39.78 37.83 2a71 n ASN 105 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2a71 n GLY 106 N -1.72 5.10 3.66 8.20 0.00 -0.65 -4.72 105.19 115.06 2a71 n GLY 106 Ca -0.05 -2.11 -0.41 0.00 0.00 0.00 0.00 46.02 43.45 2a71 n GLY 106 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2a71 s PRO 107 N -1.20 4.25 0.50 1.61 0.04 -1.16 -0.92 135.00 138.12 2a71 s PRO 107 Ca 0.00 0.97 0.29 0.00 0.04 0.00 0.00 61.00 62.31 2a71 s PRO 107 Cb 0.00 -3.60 1.06 0.00 0.04 0.00 0.00 34.50 32.00 2a71 s PRO 107 CO 0.00 -0.41 1.87 -0.24 0.04 0.00 0.00 177.00 178.27 2a71 h VAL 108 N 5.29 0.13 -0.99 -0.36 3.04 -1.86 -3.22 116.25 118.29 2a71 h VAL 108 Ca -0.27 -0.76 -0.62 0.00 -1.01 0.00 0.00 66.70 64.04 2a71 h VAL 108 Cb 1.11 1.67 -0.29 0.00 -2.01 0.00 0.00 31.29 31.77 2a71 h VAL 108 CO 0.85 0.06 0.80 -0.46 -1.01 0.00 0.00 177.57 177.81 2a71 n ASN 109 N -3.16 6.49 -4.83 3.17 0.23 -1.26 -1.42 115.26 114.47 2a71 n ASN 109 Ca 0.01 -3.72 -0.32 0.00 -0.53 0.00 0.00 54.58 50.02 2a71 n ASN 109 Cb 0.38 -0.94 -0.01 0.00 -2.08 0.00 0.00 39.78 37.13 2a71 n ASN 109 CO 0.00 0.00 0.00 -0.72 -0.93 0.00 0.00 177.26 175.61 2a71 s TYR 110 N -3.63 3.32 -0.33 -2.53 -0.85 -1.22 -4.31 117.35 107.81 2a71 s TYR 110 Ca 0.62 1.45 0.03 0.00 -0.52 0.00 0.00 57.07 58.65 2a71 s TYR 110 Cb 0.50 -2.85 0.10 0.00 0.38 0.00 0.00 41.96 40.08 2a71 s TYR 110 CO 0.03 -0.69 0.05 0.34 -1.52 0.00 0.00 175.55 173.76 2a71 s ASP 111 N -3.21 4.56 0.00 -0.18 2.15 -1.26 -2.01 116.67 116.72 2a71 s ASP 111 Ca 0.60 -1.98 0.00 0.00 0.43 0.00 0.00 52.55 51.60 2a71 s ASP 111 Cb -0.12 -1.44 0.00 0.00 -0.30 0.00 0.00 42.92 41.06 2a71 s ASP 111 CO 0.38 -0.37 0.00 0.61 -0.17 0.00 0.00 175.17 175.62 2a71 n GLY 112 N 4.40 0.51 3.34 2.66 0.00 -0.23 -0.17 105.19 115.71 2a71 n GLY 112 Ca 0.01 -1.15 -0.32 0.00 0.00 0.00 0.00 46.02 44.57 2a71 n GLY 112 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2a71 s LEU 113 N 0.00 2.32 -0.23 0.99 2.96 -0.25 -2.91 118.68 121.56 2a71 s LEU 113 Ca 0.00 -0.40 0.01 0.00 -0.22 0.00 0.00 54.13 53.52 2a71 s LEU 113 Cb 0.00 -1.44 0.05 0.00 0.50 0.00 0.00 46.19 45.30 2a71 s LEU 113 CO 0.00 0.28 -0.08 -1.58 -1.32 0.00 0.00 176.35 173.65 2a71 s GLN 114 N -0.35 1.83 -0.57 1.98 0.74 -0.78 -0.92 119.66 121.59 2a71 s GLN 114 Ca 0.02 -0.98 -0.21 0.00 0.05 0.00 0.00 55.36 54.24 2a71 s GLN 114 Cb -0.12 -2.57 0.07 0.00 1.10 0.00 0.00 33.01 31.49 2a71 s GLN 114 CO 0.02 -0.54 0.78 -0.51 -0.55 0.00 0.00 175.29 174.49 2a71 s LEU 115 N 1.36 4.78 -0.09 3.68 1.43 -0.48 -1.50 118.68 127.86 2a71 s LEU 115 Ca -0.05 -0.95 -0.15 0.00 -1.03 0.00 0.00 54.13 51.95 2a71 s LEU 115 Cb -0.18 -2.47 -0.05 0.00 0.03 0.00 0.00 46.19 43.52 2a71 s LEU 115 CO -0.07 -1.13 0.38 -0.22 0.23 0.00 0.00 176.35 175.54 2a71 s LEU 116 N 3.22 4.34 -0.28 1.79 2.96 0.86 -1.99 118.68 129.57 2a71 s LEU 116 Ca 0.19 0.75 0.01 0.00 -0.22 0.00 0.00 54.13 54.86 2a71 s LEU 116 Cb -0.19 -2.53 0.06 0.00 0.50 0.00 0.00 46.19 44.03 2a71 s LEU 116 CO 0.11 0.16 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.57 2a71 s VAL 117 N -0.10 2.59 0.08 1.68 1.01 0.46 -1.42 120.40 124.70 2a71 s VAL 117 Ca 0.22 -1.52 -0.02 0.00 0.00 0.00 0.00 61.98 60.66 2a71 s VAL 117 Cb -0.15 -2.51 0.01 0.00 0.00 0.00 0.00 36.38 33.72 2a71 s VAL 117 CO 0.09 -0.08 0.14 -0.90 0.00 0.00 0.00 175.10 174.35 2a71 n ASP 118 N 4.53 -0.40 -0.58 3.32 5.75 -1.21 -1.05 116.55 126.91 2a71 n ASP 118 Ca -0.13 -1.37 0.00 0.00 -0.01 0.00 0.00 54.79 53.28 2a71 n ASP 118 Cb 0.43 0.69 0.00 0.00 -1.03 0.00 0.00 41.12 41.21 2a71 n ASP 118 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 2a71 n ASN 119 N -1.52 0.06 -1.47 -1.12 0.23 -1.26 -1.88 115.26 108.30 2a71 n ASN 119 Ca -0.01 -1.88 0.10 0.00 -0.53 0.00 0.00 54.58 52.26 2a71 n ASN 119 Cb 0.13 -0.18 0.34 0.00 -2.08 0.00 0.00 39.78 37.98 2a71 n ASN 119 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2a71 n ASN 120 N 0.04 4.32 -4.84 0.53 5.15 -1.26 -4.35 115.26 114.85 2a71 n ASN 120 Ca 0.00 -2.27 -0.22 0.00 -0.60 0.00 0.00 54.58 51.50 2a71 n ASN 120 Cb 0.71 -0.54 0.07 0.00 -0.53 0.00 0.00 39.78 39.50 2a71 n ASN 120 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 2a71 s GLY 121 N -0.92 1.79 0.57 8.20 0.00 -1.26 -4.98 107.32 110.71 2a71 s GLY 121 Ca 0.49 -1.68 0.27 0.00 0.00 0.00 0.00 44.72 43.79 2a71 s GLY 121 CO 0.27 -1.23 2.12 -0.56 0.00 0.00 0.00 173.10 173.70 2a71 h PRO 122 N -0.17 0.00 -0.01 2.90 0.13 -1.94 -2.67 132.00 130.24 2a71 h PRO 122 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 2a71 h PRO 122 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2a71 h PRO 122 CO 0.44 0.00 -0.55 1.28 -0.23 0.00 0.00 178.00 178.94 2a71 n LEU 123 N -3.99 1.35 0.00 1.56 4.77 -1.26 -5.08 117.00 114.35 2a71 n LEU 123 Ca 0.01 -0.48 0.00 0.00 -0.03 0.00 0.00 56.01 55.51 2a71 n LEU 123 Cb 0.28 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 2a71 n LEU 123 CO 0.29 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 2a71 n GLY 124 N 1.43 0.08 3.67 -0.72 0.00 -1.01 -4.89 105.19 103.75 2a71 n GLY 124 Ca 0.08 -1.59 -0.47 0.00 0.00 0.00 0.00 46.02 44.05 2a71 n GLY 124 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2a71 n PRO 125 N 0.69 2.13 -4.11 1.61 -0.02 -1.26 -4.17 135.00 129.87 2a71 n PRO 125 Ca 0.00 0.78 -0.09 0.00 -2.02 0.00 0.00 63.50 62.16 2a71 n PRO 125 Cb 0.00 -2.57 -0.09 0.00 -0.02 0.00 0.00 33.50 30.81 2a71 n PRO 125 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2a71 s THR 126 N 2.29 0.11 -0.30 3.45 -4.23 -0.79 -2.58 115.64 113.58 2a71 s THR 126 Ca 0.85 -1.80 -0.00 0.00 -1.18 0.00 0.00 61.69 59.56 2a71 s THR 126 Cb -0.69 -1.95 0.10 0.00 1.34 0.00 0.00 72.50 71.29 2a71 s THR 126 CO 0.44 -0.49 0.08 -0.22 -0.54 0.00 0.00 174.62 173.89 2a71 s LEU 127 N -3.02 2.61 0.25 4.79 0.20 -0.90 -3.30 118.68 119.30 2a71 s LEU 127 Ca 0.21 -1.65 0.10 0.00 0.69 0.00 0.00 54.13 53.49 2a71 s LEU 127 Cb 0.07 -0.99 -0.04 0.00 -0.43 0.00 0.00 46.19 44.79 2a71 s LEU 127 CO 0.00 -0.39 -0.09 0.00 -0.29 0.00 0.00 176.35 175.58 2a71 s ARG 128 N 1.50 2.04 0.21 1.98 1.70 -0.51 -2.82 118.95 123.05 2a71 s ARG 128 Ca 0.08 -1.49 0.08 0.00 -0.47 0.00 0.00 55.73 53.94 2a71 s ARG 128 Cb -0.18 -2.04 -0.04 0.00 -0.57 0.00 0.00 34.95 32.12 2a71 s ARG 128 CO -0.20 0.37 -0.01 0.20 -1.08 0.00 0.00 175.30 174.58 2a71 s GLY 129 N -3.41 1.69 -0.08 3.88 0.00 -0.83 -0.10 107.32 108.47 2a71 s GLY 129 Ca 0.29 -1.48 -0.07 0.00 0.00 0.00 0.00 44.72 43.46 2a71 s GLY 129 CO 0.17 -1.52 0.20 1.20 0.00 0.00 0.00 173.10 173.15 2a71 s GLN 130 N -3.21 0.22 -0.00 2.90 -1.52 -0.56 -2.89 119.66 114.60 2a71 s GLN 130 Ca 0.28 0.30 0.06 0.00 -1.95 0.00 0.00 55.36 54.06 2a71 s GLN 130 Cb -0.08 0.08 -0.03 0.00 -0.22 0.00 0.00 33.01 32.76 2a71 s GLN 130 CO 0.19 -0.05 -0.17 -0.51 -0.25 0.00 0.00 175.29 174.50 2a71 s LEU 131 N 0.25 2.59 0.19 2.90 1.43 -1.26 -1.87 118.68 122.91 2a71 s LEU 131 Ca -0.01 -0.34 -0.21 0.00 -1.03 0.00 0.00 54.13 52.54 2a71 s LEU 131 Cb -0.03 -1.52 0.05 0.00 0.03 0.00 0.00 46.19 44.73 2a71 s LEU 131 CO -0.01 0.30 0.60 0.21 0.23 0.00 0.00 176.35 177.69 2a71 s ASN 132 N -1.06 -0.44 0.00 2.29 2.47 -1.15 -5.01 114.94 112.04 2a71 s ASN 132 Ca 0.13 -0.22 0.00 0.00 0.42 0.00 0.00 52.86 53.19 2a71 s ASN 132 Cb -0.10 0.62 0.00 0.00 -1.45 0.00 0.00 41.25 40.31 2a71 s ASN 132 CO 0.03 -1.06 0.33 -0.90 -3.72 0.00 0.00 177.10 171.78 2a71 n ASP 133 N -0.38 0.66 0.00 -4.21 5.75 -1.19 -1.07 116.55 116.11 2a71 n ASP 133 Ca -0.13 -0.83 0.00 0.00 -0.01 0.00 0.00 54.79 53.82 2a71 n ASP 133 Cb 0.63 0.32 0.00 0.00 -1.03 0.00 0.00 41.12 41.05 2a71 n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2a71 n GLY 134 N 0.32 2.61 0.16 6.12 0.00 -0.85 -4.65 105.19 108.91 2a71 n GLY 134 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2a71 n GLY 134 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2a71 h GLN 135 N 2.51 0.57 -6.62 1.61 4.20 -1.86 -3.45 115.11 112.06 2a71 h GLN 135 Ca 0.00 -0.77 -0.65 0.00 0.06 0.00 0.00 58.65 57.29 2a71 h GLN 135 Cb 0.00 0.26 -0.23 0.00 0.30 0.00 0.00 27.48 27.80 2a71 h GLN 135 CO 0.00 1.34 -0.86 0.15 -0.67 0.00 0.00 178.83 178.79 2a71 s LYS 136 N -2.96 1.42 0.26 1.46 1.02 -1.26 -5.13 119.74 114.55 2a71 s LYS 136 Ca -0.08 -1.22 -0.29 0.00 0.02 0.00 0.00 55.97 54.39 2a71 s LYS 136 Cb 0.06 -1.76 -0.09 0.00 -0.52 0.00 0.00 37.83 35.52 2a71 s LYS 136 CO 0.92 0.43 1.18 -1.25 -0.92 0.00 0.00 175.35 175.71 2a71 s PRO 137 N -1.77 4.53 0.80 -1.68 0.04 -1.26 -4.65 135.00 131.01 2a71 s PRO 137 Ca 0.11 1.92 -0.11 0.00 0.04 0.00 0.00 61.00 62.96 2a71 s PRO 137 Cb -0.10 -3.18 0.07 0.00 0.04 0.00 0.00 34.50 31.34 2a71 s PRO 137 CO 0.04 0.04 1.09 0.14 0.04 0.00 0.00 177.00 178.35 2a71 s VAL 138 N -0.82 3.18 -0.58 -0.36 -7.23 -0.51 -4.98 120.40 109.11 2a71 s VAL 138 Ca 0.48 0.38 -0.19 0.00 -1.81 0.00 0.00 61.98 60.85 2a71 s VAL 138 Cb -0.34 -2.86 0.10 0.00 0.56 0.00 0.00 36.38 33.83 2a71 s VAL 138 CO 0.42 -0.50 0.69 -0.62 -0.31 0.00 0.00 175.10 174.78 2a71 s ASP 139 N -3.39 6.19 0.56 4.85 -1.08 -1.26 -4.93 116.67 117.60 2a71 s ASP 139 Ca 0.62 -1.37 0.27 0.00 -0.52 0.00 0.00 52.55 51.54 2a71 s ASP 139 Cb -0.17 -2.30 1.49 0.00 -1.46 0.00 0.00 42.92 40.48 2a71 s ASP 139 CO 0.56 -1.08 2.02 0.11 0.52 0.00 0.00 175.17 177.30 2a71 h LYS 140 N 9.15 0.00 0.00 4.34 1.57 -1.99 -1.84 116.57 127.80 2a71 h LYS 140 Ca -0.29 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.39 2a71 h LYS 140 Cb 1.09 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 2a71 h LYS 140 CO 1.08 0.00 -0.45 1.79 -0.57 0.00 0.00 179.45 181.30 2a71 h THR 141 N 0.00 1.19 -0.47 -0.16 1.35 -2.04 -3.20 112.91 109.58 2a71 h THR 141 Ca 0.18 -1.60 -0.25 0.00 -0.55 0.00 0.00 66.41 64.19 2a71 h THR 141 Cb 0.82 1.89 -0.15 0.00 -1.73 0.00 0.00 68.15 68.99 2a71 h THR 141 CO -0.00 0.44 0.03 0.29 -0.25 0.00 0.00 175.52 176.02 2a71 n LYS 142 N -3.82 1.95 -0.06 4.72 5.02 -0.70 -4.69 118.16 120.58 2a71 n LYS 142 Ca -0.01 -3.20 -0.05 0.00 -2.02 0.00 0.00 58.31 53.03 2a71 n LYS 142 Cb 0.50 -1.89 0.17 0.00 -0.02 0.00 0.00 35.03 33.78 2a71 n LYS 142 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 2a71 h ILE 143 N 1.03 1.25 0.00 -0.18 6.09 -1.55 -2.09 117.51 122.07 2a71 h ILE 143 Ca 0.30 -1.14 0.00 0.00 -1.37 0.00 0.00 64.86 62.65 2a71 h ILE 143 Cb 1.83 1.10 0.00 0.00 0.47 0.00 0.00 36.82 40.22 2a71 h ILE 143 CO 0.53 0.38 0.00 -1.22 -3.07 0.00 0.00 178.15 174.78 2a71 n TYR 144 N -4.17 0.00 -0.01 2.19 4.01 -1.26 -2.45 117.16 115.47 2a71 n TYR 144 Ca 0.01 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.83 2a71 n TYR 144 Cb 0.36 -0.36 -0.14 0.00 -0.31 0.00 0.00 39.34 38.89 2a71 n TYR 144 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2a71 n ASP 145 N -1.36 1.01 -0.64 7.72 10.43 -1.08 -4.57 116.55 128.06 2a71 n ASP 145 Ca 0.12 0.00 0.11 0.00 2.57 0.00 0.00 54.79 57.59 2a71 n ASP 145 Cb 0.27 1.78 0.36 0.00 1.84 0.00 0.00 41.12 45.37 2a71 n ASP 145 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2a71 n GLN 146 N -2.12 1.84 -2.13 -1.24 6.02 -0.81 -4.91 117.38 114.04 2a71 n GLN 146 Ca -0.04 -1.26 -0.42 0.00 -0.01 0.00 0.00 57.00 55.27 2a71 n GLN 146 Cb 0.47 -1.42 -0.03 0.00 1.02 0.00 0.00 30.24 30.28 2a71 n GLN 146 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2a71 s SER 147 N -1.60 6.76 0.43 1.08 0.01 -1.19 -4.69 113.70 114.49 2a71 s SER 147 Ca 0.33 2.12 0.20 0.00 1.31 0.00 0.00 55.95 59.91 2a71 s SER 147 Cb 0.18 -2.54 0.96 0.00 0.21 0.00 0.00 66.02 64.84 2a71 s SER 147 CO 0.28 -0.84 1.89 2.19 0.41 0.00 0.00 173.24 177.16 2a71 h PHE 148 N 8.81 0.00 -3.04 2.43 -5.15 -1.88 -3.47 116.94 114.64 2a71 h PHE 148 Ca -0.37 0.00 0.04 0.00 -0.20 0.00 0.00 57.97 57.45 2a71 h PHE 148 Cb 1.16 0.00 -0.07 0.00 0.22 0.00 0.00 35.95 37.27 2a71 h PHE 148 CO 0.83 0.28 0.20 0.00 -2.00 0.00 0.00 178.31 177.62 2a71 s ALA 149 N -4.02 -1.23 -0.20 12.09 0.00 -1.26 -5.03 121.76 122.11 2a71 s ALA 149 Ca -0.02 -0.18 -0.31 0.00 0.00 0.00 0.00 51.96 51.44 2a71 s ALA 149 Cb 0.13 0.87 0.15 0.00 0.00 0.00 0.00 23.12 24.27 2a71 s ALA 149 CO 0.66 -0.97 1.18 -1.54 0.00 0.00 0.00 175.76 175.09 2a71 s SER 150 N -2.89 -0.19 0.19 0.00 1.04 -1.26 -1.96 113.70 108.63 2a71 s SER 150 Ca 0.10 0.13 0.03 0.00 0.48 0.00 0.00 55.95 56.69 2a71 s SER 150 Cb -0.05 0.17 -0.05 0.00 0.10 0.00 0.00 66.02 66.19 2a71 s SER 150 CO 0.03 -0.22 -0.02 0.00 0.98 0.00 0.00 173.24 174.01 2a71 s LEU 152 N -3.22 4.54 -0.30 0.00 1.43 -1.26 -2.11 118.68 117.75 2a71 s LEU 152 Ca 0.24 1.99 -0.08 0.00 -1.03 0.00 0.00 54.13 55.25 2a71 s LEU 152 Cb 0.05 -3.73 0.18 0.00 0.03 0.00 0.00 46.19 42.72 2a71 s LEU 152 CO 0.05 0.02 0.83 -0.32 0.23 0.00 0.00 176.35 177.16 2a71 s MET 153 N -1.49 0.38 0.63 1.70 1.75 -1.07 -4.83 119.30 116.38 2a71 s MET 153 Ca 0.44 0.72 -0.12 0.00 -1.25 0.00 0.00 55.69 55.48 2a71 s MET 153 Cb -0.25 0.40 -0.03 0.00 2.84 0.00 0.00 34.83 37.80 2a71 s MET 153 CO 0.32 -0.37 1.04 0.20 -0.65 0.00 0.00 175.02 175.56 2a71 s GLY 154 N 2.86 1.77 0.00 2.11 0.00 -1.26 -3.52 107.32 109.27 2a71 s GLY 154 Ca 0.08 0.07 0.00 0.00 0.00 0.00 0.00 44.72 44.87 2a71 s GLY 154 CO -0.16 0.36 0.00 1.58 0.00 0.00 0.00 173.10 174.88 2a71 n TYR 155 N -2.67 0.00 -1.93 1.90 0.18 -1.26 -5.06 117.16 108.32 2a71 n TYR 155 Ca 0.07 0.00 -0.31 0.00 1.88 0.00 0.00 57.90 59.54 2a71 n TYR 155 Cb 0.54 0.00 0.02 0.00 -0.38 0.00 0.00 39.34 39.51 2a71 n TYR 155 CO 0.00 0.00 0.00 -0.65 -2.08 0.00 0.00 176.86 174.13 2a71 s GLN 156 N 0.00 3.46 -2.07 -3.48 -0.21 -1.26 -3.87 119.66 112.22 2a71 s GLN 156 Ca 0.00 0.65 0.00 0.00 0.02 0.00 0.00 55.36 56.03 2a71 s GLN 156 Cb 0.00 -2.09 0.00 0.00 1.00 0.00 0.00 33.01 31.92 2a71 s GLN 156 CO 0.00 -0.63 0.00 -0.25 -2.12 0.00 0.00 175.29 172.29 2a71 n ASP 157 N -2.76 -5.43 -4.61 5.90 10.43 -1.19 -4.94 116.55 113.95 2a71 n ASP 157 Ca 0.06 0.48 -0.42 0.00 2.57 0.00 0.00 54.79 57.49 2a71 n ASP 157 Cb 0.55 -4.65 -0.05 0.00 1.84 0.00 0.00 41.12 38.81 2a71 n ASP 157 CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 2a71 s SER 158 N -2.77 6.61 0.38 -2.24 0.15 -1.23 -4.86 113.70 109.73 2a71 s SER 158 Ca 0.00 0.60 0.13 0.00 0.70 0.00 0.00 55.95 57.38 2a71 s SER 158 Cb 0.00 -2.38 0.77 0.00 -1.71 0.00 0.00 66.02 62.70 2a71 s SER 158 CO 0.00 -0.55 1.85 0.28 1.20 0.00 0.00 173.24 176.02 2a71 h SER 159 N 8.11 0.00 -3.58 5.45 0.02 -1.92 -3.43 113.55 118.20 2a71 h SER 159 Ca -0.25 0.00 -0.64 0.00 -0.84 0.00 0.00 61.79 60.06 2a71 h SER 159 Cb 1.10 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.50 2a71 h SER 159 CO 0.85 0.34 0.13 -0.69 -1.14 0.00 0.00 176.83 176.32 2a71 s VAL 160 N -4.26 4.85 -0.10 2.27 1.01 -1.26 -5.05 120.40 117.87 2a71 s VAL 160 Ca -0.03 0.33 -0.30 0.00 0.00 0.00 0.00 61.98 61.98 2a71 s VAL 160 Cb 0.15 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 2a71 s VAL 160 CO 0.72 -0.47 1.43 -2.16 0.00 0.00 0.00 175.10 174.62 2a71 s PRO 161 N 2.77 4.22 0.42 2.72 0.04 -1.26 -4.95 135.00 138.96 2a71 s PRO 161 Ca 0.23 1.90 -0.02 0.00 0.04 0.00 0.00 61.00 63.15 2a71 s PRO 161 Cb -0.14 -3.82 -0.03 0.00 0.04 0.00 0.00 34.50 30.55 2a71 s PRO 161 CO 0.17 -0.74 0.66 -1.54 0.04 0.00 0.00 177.00 175.59 2a71 s SER 162 N 2.47 6.20 -0.28 6.66 1.04 -1.12 -4.87 113.70 123.81 2a71 s SER 162 Ca 0.63 0.61 -0.05 0.00 0.48 0.00 0.00 55.95 57.61 2a71 s SER 162 Cb -0.27 -2.04 0.01 0.00 0.10 0.00 0.00 66.02 63.82 2a71 s SER 162 CO 0.22 -0.47 0.04 -0.89 0.98 0.00 0.00 173.24 173.12 2a71 s THR 163 N -2.52 3.64 -0.03 2.02 2.01 -1.26 -2.42 115.64 117.08 2a71 s THR 163 Ca 0.44 -0.80 -0.29 0.00 0.31 0.00 0.00 61.69 61.34 2a71 s THR 163 Cb -0.10 -2.88 -0.03 0.00 0.01 0.00 0.00 72.50 69.51 2a71 s THR 163 CO 0.40 0.11 0.97 -0.63 -0.69 0.00 0.00 174.62 174.77 2a71 s ILE 164 N 1.44 4.86 -0.14 1.82 1.01 0.11 -1.49 121.20 128.82 2a71 s ILE 164 Ca 0.02 2.02 0.02 0.00 0.00 0.00 0.00 60.65 62.71 2a71 s ILE 164 Cb -0.17 -4.30 0.01 0.00 0.01 0.00 0.00 42.46 38.01 2a71 s ILE 164 CO 0.00 0.13 -0.20 -0.60 0.00 0.00 0.00 174.94 174.27 2a71 s ARG 165 N 1.25 2.77 -0.24 2.79 3.52 0.14 -0.19 118.95 128.98 2a71 s ARG 165 Ca 0.50 -0.76 0.02 0.00 -0.13 0.00 0.00 55.73 55.37 2a71 s ARG 165 Cb -0.20 -2.29 0.05 0.00 -1.56 0.00 0.00 34.95 30.95 2a71 s ARG 165 CO 0.25 -0.06 -0.13 0.08 -0.81 0.00 0.00 175.30 174.64 2a71 s VAL 166 N 0.94 2.10 0.09 7.11 1.01 0.17 0.56 120.40 132.38 2a71 s VAL 166 Ca -0.05 -1.45 0.06 0.00 0.00 0.00 0.00 61.98 60.54 2a71 s VAL 166 Cb -0.15 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 2a71 s VAL 166 CO -0.03 0.09 -0.08 0.42 0.00 0.00 0.00 175.10 175.50 2a71 s THR 167 N 1.16 3.50 -0.31 3.92 -4.23 0.40 -0.63 115.64 119.45 2a71 s THR 167 Ca -0.06 -1.16 -0.01 0.00 -1.18 0.00 0.00 61.69 59.28 2a71 s THR 167 Cb -0.18 -2.63 0.13 0.00 1.34 0.00 0.00 72.50 71.15 2a71 s THR 167 CO -0.07 0.15 0.24 -0.47 -0.54 0.00 0.00 174.62 173.93 2a71 s TYR 168 N -1.20 0.04 -0.92 3.99 5.04 -1.05 -0.98 117.35 122.26 2a71 s TYR 168 Ca 0.22 -0.77 -0.15 0.00 -2.44 0.00 0.00 57.07 53.93 2a71 s TYR 168 Cb -0.11 -0.68 0.19 0.00 0.35 0.00 0.00 41.96 41.71 2a71 s TYR 168 CO 0.14 -0.88 0.98 0.34 -1.34 0.00 0.00 175.55 174.79 2a71 s ASP 169 N 1.90 6.80 0.28 4.32 -1.08 -0.62 -2.50 116.67 125.78 2a71 s ASP 169 Ca 0.12 -2.59 0.02 0.00 -0.52 0.00 0.00 52.55 49.58 2a71 s ASP 169 Cb -0.16 -2.29 0.63 0.00 -1.46 0.00 0.00 42.92 39.63 2a71 s ASP 169 CO -0.24 -0.73 1.74 0.25 0.52 0.00 0.00 175.17 176.72 2a71 h LEU 170 N 8.74 0.51 -0.24 -1.34 7.12 -1.92 -1.93 115.31 126.27 2a71 h LEU 170 Ca 0.15 0.11 0.00 0.00 0.13 0.00 0.00 57.88 58.27 2a71 h LEU 170 Cb 1.00 0.04 0.00 0.00 -0.53 0.00 0.00 40.66 41.17 2a71 h LEU 170 CO 0.94 0.16 0.00 -0.62 -0.13 0.00 0.00 178.44 178.80 2a71 n GLU 171 N -4.90 0.16 -1.60 1.25 4.71 -1.26 -2.43 120.64 116.57 2a71 n GLU 171 Ca 0.20 0.25 -0.35 0.00 -0.01 0.00 0.00 57.16 57.25 2a71 n GLU 171 Cb 0.52 -1.74 0.06 0.00 -1.01 0.00 0.00 31.44 29.28 2a71 n GLU 171 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 2a71 n ASP 172 N -2.03 7.28 -3.23 1.62 2.03 -0.74 -4.95 116.55 116.52 2a71 n ASP 172 Ca 0.04 -3.80 -0.16 0.00 0.52 0.00 0.00 54.79 51.40 2a71 n ASP 172 Cb 0.31 -0.92 0.01 0.00 -0.72 0.00 0.00 41.12 39.81 2a71 n ASP 172 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2a71 n ASP 173 N -0.78 -6.80 -3.24 1.67 10.43 -1.02 -4.01 116.55 112.80 2a71 n ASP 173 Ca 0.58 -0.07 -0.13 0.00 2.57 0.00 0.00 54.79 57.74 2a71 n ASP 173 Cb 0.58 -3.86 0.00 0.00 1.84 0.00 0.00 41.12 39.68 2a71 n ASP 173 CO 0.00 0.00 0.00 -0.46 -1.07 0.00 0.00 177.20 175.67 2a71 n ASN 174 N -1.13 -2.13 -4.38 -2.24 6.94 -1.13 -4.88 115.26 106.32 2a71 n ASN 174 Ca -0.04 -0.48 -0.40 0.00 -0.02 0.00 0.00 54.58 53.64 2a71 n ASN 174 Cb 0.56 -0.73 -0.11 0.00 -2.36 0.00 0.00 39.78 37.15 2a71 n ASN 174 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 2a71 s LEU 175 N -3.88 4.59 0.07 -4.53 2.96 -1.12 -4.39 118.68 112.39 2a71 s LEU 175 Ca 0.04 -0.93 -0.22 0.00 -0.22 0.00 0.00 54.13 52.79 2a71 s LEU 175 Cb -0.02 -2.01 -0.06 0.00 0.50 0.00 0.00 46.19 44.60 2a71 s LEU 175 CO 0.42 -0.35 0.67 -0.22 -1.32 0.00 0.00 176.35 175.55 2a71 s LEU 176 N 1.55 4.51 -0.16 -0.68 0.20 -0.86 -1.58 118.68 121.65 2a71 s LEU 176 Ca 0.02 1.38 -0.04 0.00 0.69 0.00 0.00 54.13 56.19 2a71 s LEU 176 Cb -0.19 -3.08 0.08 0.00 -0.43 0.00 0.00 46.19 42.57 2a71 s LEU 176 CO 0.06 0.16 0.22 -0.75 -0.29 0.00 0.00 176.35 175.76 2a71 s LYS 177 N -0.69 0.15 0.01 1.98 2.20 -0.15 -1.24 119.74 122.00 2a71 s LYS 177 Ca 0.33 0.39 -0.06 0.00 -0.36 0.00 0.00 55.97 56.28 2a71 s LYS 177 Cb -0.20 -0.77 -0.05 0.00 -1.51 0.00 0.00 37.83 35.30 2a71 s LYS 177 CO 0.21 -0.51 0.26 0.08 -0.36 0.00 0.00 175.35 175.04 2a71 s VAL 178 N 2.34 5.31 -0.01 4.02 1.01 -0.56 -0.46 120.40 132.05 2a71 s VAL 178 Ca 0.05 0.13 -0.01 0.00 0.00 0.00 0.00 61.98 62.15 2a71 s VAL 178 Cb -0.14 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.67 2a71 s VAL 178 CO -0.10 0.35 0.03 -1.10 0.00 0.00 0.00 175.10 174.28 2a71 s GLN 179 N -1.81 0.04 -0.30 2.72 -0.21 0.19 -1.35 119.66 118.94 2a71 s GLN 179 Ca 0.28 0.05 -0.03 0.00 0.02 0.00 0.00 55.36 55.67 2a71 s GLN 179 Cb -0.13 0.01 0.04 0.00 1.00 0.00 0.00 33.01 33.93 2a71 s GLN 179 CO 0.17 -0.01 0.02 0.08 -2.12 0.00 0.00 175.29 173.43 2a71 s VAL 180 N 0.03 3.22 -1.41 1.09 1.01 -0.33 0.23 120.40 124.24 2a71 s VAL 180 Ca -0.00 -1.24 -0.07 0.00 0.00 0.00 0.00 61.98 60.67 2a71 s VAL 180 Cb -0.00 -2.80 0.04 0.00 0.00 0.00 0.00 36.38 33.61 2a71 s VAL 180 CO -0.00 -0.07 0.84 0.47 0.00 0.00 0.00 175.10 176.34 2a71 n ASP 181 N 4.69 -2.98 -3.59 3.32 10.43 -0.56 -2.06 116.55 125.81 2a71 n ASP 181 Ca -0.13 -0.80 -0.20 0.00 2.57 0.00 0.00 54.79 56.23 2a71 n ASP 181 Cb 0.44 -3.99 0.06 0.00 1.84 0.00 0.00 41.12 39.47 2a71 n ASP 181 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 2a71 n ASN 182 N -2.95 -1.92 -3.70 -2.24 3.02 -1.26 -5.03 115.26 101.17 2a71 n ASN 182 Ca -0.13 -0.72 -0.20 0.00 -0.03 0.00 0.00 54.58 53.49 2a71 n ASN 182 Cb 0.60 -4.55 -0.18 0.00 -0.61 0.00 0.00 39.78 35.04 2a71 n ASN 182 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2a71 s LYS 183 N -5.76 0.07 -0.01 3.52 1.02 -0.87 -5.11 119.74 112.60 2a71 s LYS 183 Ca 0.06 0.31 -0.33 0.00 0.02 0.00 0.00 55.97 56.02 2a71 s LYS 183 Cb -0.03 -0.59 -0.12 0.00 -0.52 0.00 0.00 37.83 36.58 2a71 s LYS 183 CO 0.77 -0.31 1.84 0.28 -0.92 0.00 0.00 175.35 177.01 2a71 n VAL 184 N 5.17 0.49 -0.06 3.17 0.31 -1.26 -1.18 118.33 124.96 2a71 n VAL 184 Ca -0.06 -0.09 -0.05 0.00 -0.01 0.00 0.00 64.34 64.13 2a71 n VAL 184 Cb 0.50 -1.89 -0.03 0.00 -0.91 0.00 0.00 33.84 31.50 2a71 n VAL 184 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2a71 s PHE 186 N -1.88 -0.46 0.02 0.00 -0.12 -1.21 -4.36 117.98 109.97 2a71 s PHE 186 Ca -0.09 0.88 0.07 0.00 -0.05 0.00 0.00 56.93 57.75 2a71 s PHE 186 Cb 0.00 0.42 -0.02 0.00 -0.63 0.00 0.00 43.02 42.79 2a71 s PHE 186 CO 0.21 -0.37 -0.22 1.14 -0.05 0.00 0.00 175.22 175.92 2a71 s GLN 187 N -0.81 1.64 -0.05 1.99 -2.07 -1.26 -1.50 119.66 117.60 2a71 s GLN 187 Ca -0.03 -0.90 -0.30 0.00 -1.82 0.00 0.00 55.36 52.31 2a71 s GLN 187 Cb -0.01 -1.68 0.07 0.00 -1.09 0.00 0.00 33.01 30.30 2a71 s GLN 187 CO 0.02 0.45 0.70 -0.08 -1.32 0.00 0.00 175.29 175.05 2a71 s THR 188 N -0.67 0.00 -2.52 3.63 -1.32 -0.38 -5.00 115.64 109.38 2a71 s THR 188 Ca 0.09 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 60.82 2a71 s THR 188 Cb -0.09 -1.00 0.46 0.00 -1.51 0.00 0.00 72.50 70.36 2a71 s THR 188 CO 0.01 0.00 1.59 0.54 -2.21 0.00 0.00 174.62 174.54 2a71 n ARG 189 N 0.82 1.86 -0.00 7.08 1.74 -1.26 -2.03 116.66 124.86 2a71 n ARG 189 Ca -0.18 -1.26 0.16 0.00 -0.77 0.00 0.00 57.85 55.80 2a71 n ARG 189 Cb 0.58 -1.46 0.62 0.00 -1.02 0.00 0.00 32.46 31.18 2a71 n ARG 189 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2a71 h LYS 190 N 2.87 0.13 -5.37 5.56 1.57 -1.96 -3.41 116.57 115.97 2a71 h LYS 190 Ca 0.00 -0.01 -0.61 0.00 -1.87 0.00 0.00 60.65 58.16 2a71 h LYS 190 Cb 0.62 -0.03 -0.12 0.00 0.08 0.00 0.00 32.23 32.77 2a71 h LYS 190 CO 0.00 0.09 -0.12 0.08 -0.57 0.00 0.00 179.45 178.93 2a71 s VAL 191 N -5.15 5.14 -0.37 0.50 1.01 -1.26 -5.03 120.40 115.24 2a71 s VAL 191 Ca -0.06 0.78 0.03 0.00 0.00 0.00 0.00 61.98 62.73 2a71 s VAL 191 Cb 0.19 -3.77 0.11 0.00 0.00 0.00 0.00 36.38 32.91 2a71 s VAL 191 CO 0.73 0.17 0.12 -0.60 0.00 0.00 0.00 175.10 175.52 2a71 s ARG 192 N 1.80 1.37 -0.28 2.72 3.52 -1.26 -4.74 118.95 122.08 2a71 s ARG 192 Ca 0.20 -1.84 -0.29 0.00 -0.13 0.00 0.00 55.73 53.67 2a71 s ARG 192 Cb -0.15 -2.85 -0.01 0.00 -1.56 0.00 0.00 34.95 30.37 2a71 s ARG 192 CO 0.09 -1.00 1.48 -0.06 -0.81 0.00 0.00 175.30 175.00 2a71 s PHE 193 N 0.80 2.34 0.50 5.12 0.08 -1.26 -5.00 117.98 120.56 2a71 s PHE 193 Ca 0.12 0.69 -0.20 0.00 0.12 0.00 0.00 56.93 57.66 2a71 s PHE 193 Cb -0.20 -4.00 -0.07 0.00 -0.57 0.00 0.00 43.02 38.17 2a71 s PHE 193 CO -0.10 -2.37 1.08 -1.25 -0.10 0.00 0.00 175.22 172.49 2a71 s PRO 194 N 4.56 3.66 0.75 0.24 0.04 -1.26 -4.97 135.00 138.01 2a71 s PRO 194 Ca 0.65 1.50 -0.16 0.00 0.04 0.00 0.00 61.00 63.03 2a71 s PRO 194 Cb -0.20 -2.12 -0.04 0.00 0.04 0.00 0.00 34.50 32.17 2a71 s PRO 194 CO 0.27 -0.57 0.41 0.43 0.04 0.00 0.00 177.00 177.58 2a71 n SER 195 N -0.98 -1.69 0.00 6.66 7.64 -1.26 -4.91 113.62 119.08 2a71 n SER 195 Ca 0.10 0.55 0.00 0.00 1.01 0.00 0.00 58.87 60.52 2a71 n SER 195 Cb 0.51 -1.17 0.00 0.00 -1.01 0.00 0.00 64.21 62.54 2a71 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2a71 n GLY 196 N 1.78 0.59 3.58 0.23 0.00 -1.26 -4.99 105.19 105.13 2a71 n GLY 196 Ca 0.09 -2.14 -0.37 0.00 0.00 0.00 0.00 46.02 43.60 2a71 n GLY 196 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2a71 s SER 197 N -4.00 5.87 0.27 1.61 0.01 -1.26 -1.73 113.70 114.47 2a71 s SER 197 Ca 0.00 -0.02 0.10 0.00 1.31 0.00 0.00 55.95 57.34 2a71 s SER 197 Cb 0.00 -2.08 -0.04 0.00 0.21 0.00 0.00 66.02 64.11 2a71 s SER 197 CO 0.00 -0.01 -0.02 -0.31 0.41 0.00 0.00 173.24 173.31 2a71 s TYR 198 N 1.53 2.66 -0.24 2.43 1.51 -0.19 -2.42 117.35 122.62 2a71 s TYR 198 Ca 0.07 -0.23 -0.00 0.00 -1.01 0.00 0.00 57.07 55.89 2a71 s TYR 198 Cb -0.15 -1.18 0.03 0.00 -0.11 0.00 0.00 41.96 40.55 2a71 s TYR 198 CO 0.08 0.63 -0.09 1.03 -1.11 0.00 0.00 175.55 176.09 2a71 s ARG 199 N -3.66 2.75 0.13 -0.62 1.81 0.41 -1.06 118.95 118.70 2a71 s ARG 199 Ca 0.31 -1.02 -0.10 0.00 -1.72 0.00 0.00 55.73 53.20 2a71 s ARG 199 Cb -0.06 -2.91 -0.06 0.00 -0.45 0.00 0.00 34.95 31.47 2a71 s ARG 199 CO 0.19 -0.40 0.46 0.42 -0.68 0.00 0.00 175.30 175.29 2a71 s ILE 200 N 1.28 5.02 -2.41 1.52 1.01 -1.26 -2.58 121.20 123.78 2a71 s ILE 200 Ca -0.01 0.49 0.00 0.00 0.00 0.00 0.00 60.65 61.13 2a71 s ILE 200 Cb -0.17 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 38.65 2a71 s ILE 200 CO -0.06 0.18 0.00 0.61 0.00 0.00 0.00 174.94 175.68 2a71 n GLY 201 N 0.60 -1.15 3.63 6.18 0.00 -1.20 -2.01 105.19 111.23 2a71 n GLY 201 Ca -0.05 -0.97 -0.14 0.00 0.00 0.00 0.00 46.02 44.86 2a71 n GLY 201 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a71 s VAL 202 N -3.00 0.00 0.04 1.61 0.11 -0.74 -1.93 120.40 116.49 2a71 s VAL 202 Ca 0.00 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.04 2a71 s VAL 202 Cb 0.00 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 2a71 s VAL 202 CO 0.00 0.00 -0.03 0.42 -3.33 0.00 0.00 175.10 172.16 2a71 s THR 203 N 0.32 0.21 -0.00 5.04 -4.23 -0.64 -1.92 115.64 114.43 2a71 s THR 203 Ca -0.00 -1.61 -0.18 0.00 -1.18 0.00 0.00 61.69 58.71 2a71 s THR 203 Cb -0.05 -1.25 0.03 0.00 1.34 0.00 0.00 72.50 72.58 2a71 s THR 203 CO 0.01 -0.88 0.40 0.00 -0.54 0.00 0.00 174.62 173.61 2a71 s ALA 204 N -3.36 -1.01 0.19 3.99 0.00 -0.94 -0.87 121.76 119.75 2a71 s ALA 204 Ca 0.02 0.47 0.04 0.00 0.00 0.00 0.00 51.96 52.50 2a71 s ALA 204 Cb 0.04 0.15 -0.05 0.00 0.00 0.00 0.00 23.12 23.27 2a71 s ALA 204 CO -0.08 -0.34 -0.07 1.14 0.00 0.00 0.00 175.76 176.41 2a71 s GLN 205 N -1.70 1.19 -0.00 0.00 -2.07 -1.01 -2.02 119.66 114.05 2a71 s GLN 205 Ca -0.10 -1.55 0.02 0.00 -1.82 0.00 0.00 55.36 51.90 2a71 s GLN 205 Cb -0.03 -0.67 -0.02 0.00 -1.09 0.00 0.00 33.01 31.20 2a71 s GLN 205 CO 0.03 0.02 0.04 0.27 -1.32 0.00 0.00 175.29 174.33 2a71 n ASN 206 N -0.30 4.00 -0.02 12.60 0.23 -1.02 -2.38 115.26 128.36 2a71 n ASN 206 Ca -0.08 -0.08 0.00 0.00 -0.53 0.00 0.00 54.58 53.89 2a71 n ASN 206 Cb 0.62 1.06 0.00 0.00 -2.08 0.00 0.00 39.78 39.38 2a71 n ASN 206 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2a71 n GLY 207 N 2.22 -1.65 0.38 4.83 0.00 -1.26 -4.01 105.19 105.70 2a71 n GLY 207 Ca -0.00 -1.33 0.05 0.00 0.00 0.00 0.00 46.02 44.73 2a71 n GLY 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a71 n ALA 208 N 1.18 2.55 -2.05 4.61 0.00 -1.26 -2.30 120.51 123.24 2a71 n ALA 208 Ca 0.00 -0.55 -0.42 0.00 0.00 0.00 0.00 53.44 52.47 2a71 n ALA 208 Cb 0.00 -0.35 -0.03 0.00 0.00 0.00 0.00 19.45 19.07 2a71 n ALA 208 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2a71 s VAL 209 N -0.96 3.22 -1.06 0.00 1.01 -1.26 -2.60 120.40 118.73 2a71 s VAL 209 Ca 0.11 0.73 0.00 0.00 0.00 0.00 0.00 61.98 62.82 2a71 s VAL 209 Cb 0.09 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 33.00 2a71 s VAL 209 CO 0.15 0.01 0.00 0.59 0.00 0.00 0.00 175.10 175.86 2a71 n ASN 210 N 5.05 -5.51 -3.89 3.32 4.13 -1.26 -2.10 115.26 115.01 2a71 n ASN 210 Ca 0.14 0.25 -0.30 0.00 1.68 0.00 0.00 54.58 56.35 2a71 n ASN 210 Cb 0.41 -4.02 0.03 0.00 -1.54 0.00 0.00 39.78 34.66 2a71 n ASN 210 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2a71 n ASN 211 N -1.05 -4.78 -4.77 6.41 4.13 -1.07 -4.94 115.26 109.18 2a71 n ASN 211 Ca -0.10 -0.77 -0.34 0.00 1.68 0.00 0.00 54.58 55.05 2a71 n ASN 211 Cb 0.57 -3.96 0.03 0.00 -1.54 0.00 0.00 39.78 34.88 2a71 n ASN 211 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2a71 s ASN 212 N -3.35 5.40 -0.56 6.41 2.20 -0.89 -4.84 114.94 119.31 2a71 s ASN 212 Ca 0.64 2.10 0.04 0.00 -0.94 0.00 0.00 52.86 54.70 2a71 s ASN 212 Cb -0.32 -2.57 0.37 0.00 -2.00 0.00 0.00 41.25 36.74 2a71 s ASN 212 CO 0.82 -1.43 1.13 0.00 -2.94 0.00 0.00 177.10 174.68 2a71 n ALA 213 N -1.85 5.04 -1.89 3.54 0.00 -1.26 -4.13 120.51 119.96 2a71 n ALA 213 Ca 0.11 -4.51 -0.42 0.00 0.00 0.00 0.00 53.44 48.63 2a71 n ALA 213 Cb 0.51 -0.80 -0.03 0.00 0.00 0.00 0.00 19.45 19.13 2a71 n ALA 213 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2a71 s GLU 214 N -3.59 4.20 -0.29 0.00 2.12 -1.26 -4.57 118.70 115.31 2a71 s GLU 214 Ca 0.48 2.40 -0.05 0.00 0.36 0.00 0.00 54.97 58.16 2a71 s GLU 214 Cb 0.34 -3.14 0.02 0.00 0.26 0.00 0.00 34.13 31.61 2a71 s GLU 214 CO -0.18 -0.62 0.05 0.45 -0.54 0.00 0.00 175.26 174.42 2a71 s SER 215 N 1.09 4.96 -0.27 -1.70 0.15 -0.26 -4.56 113.70 113.11 2a71 s SER 215 Ca 0.70 -0.81 -0.10 0.00 0.70 0.00 0.00 55.95 56.43 2a71 s SER 215 Cb -0.45 -1.82 -0.05 0.00 -1.71 0.00 0.00 66.02 61.99 2a71 s SER 215 CO 0.32 -0.19 0.17 -0.36 1.20 0.00 0.00 173.24 174.38 2a71 s PHE 216 N 1.44 3.22 0.08 3.44 0.08 -1.24 -2.09 117.98 122.91 2a71 s PHE 216 Ca 0.01 0.07 0.04 0.00 0.12 0.00 0.00 56.93 57.17 2a71 s PHE 216 Cb -0.17 -2.34 -0.03 0.00 -0.57 0.00 0.00 43.02 39.90 2a71 s PHE 216 CO 0.01 -0.15 -0.11 -1.21 -0.10 0.00 0.00 175.22 173.66 2a71 s GLU 217 N 1.62 0.78 -0.10 0.44 2.02 -0.73 -0.72 118.70 122.01 2a71 s GLU 217 Ca 0.07 -1.01 0.02 0.00 0.02 0.00 0.00 54.97 54.07 2a71 s GLU 217 Cb -0.15 -0.60 0.01 0.00 0.10 0.00 0.00 34.13 33.49 2a71 s GLU 217 CO 0.09 0.11 -0.16 0.42 0.02 0.00 0.00 175.26 175.75 2a71 s ILE 218 N -1.81 1.47 -0.11 -1.63 -1.09 0.37 -1.54 121.20 116.86 2a71 s ILE 218 Ca -0.00 -0.65 0.09 0.00 -2.23 0.00 0.00 60.65 57.86 2a71 s ILE 218 Cb -0.07 -1.33 -0.13 0.00 -1.58 0.00 0.00 42.46 39.35 2a71 s ILE 218 CO 0.01 0.43 0.03 0.49 -1.23 0.00 0.00 174.94 174.67 2a71 n PHE 219 N 4.00 0.00 -3.71 3.97 3.01 -0.14 -1.34 117.46 123.25 2a71 n PHE 219 Ca -0.20 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.12 2a71 n PHE 219 Cb 0.52 -0.52 -0.08 0.00 -0.01 0.00 0.00 39.48 39.39 2a71 n PHE 219 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 2a71 s LYS 220 N -2.26 0.78 -0.16 -1.08 2.20 -1.19 -1.28 119.74 116.75 2a71 s LYS 220 Ca -0.06 -0.17 -0.05 0.00 -0.36 0.00 0.00 55.97 55.33 2a71 s LYS 220 Cb 0.03 0.35 0.08 0.00 -1.51 0.00 0.00 37.83 36.78 2a71 s LYS 220 CO 0.43 -0.23 0.30 1.41 -0.36 0.00 0.00 175.35 176.89 2a71 s MET 221 N -1.57 0.20 -0.33 4.03 1.75 -0.70 -1.10 119.30 121.58 2a71 s MET 221 Ca -0.11 0.74 -0.01 0.00 -1.25 0.00 0.00 55.69 55.06 2a71 s MET 221 Cb -0.03 -0.10 0.07 0.00 2.84 0.00 0.00 34.83 37.60 2a71 s MET 221 CO 0.04 -0.34 0.04 -0.65 -0.65 0.00 0.00 175.02 173.46 2a71 s GLN 222 N 2.46 2.23 -0.98 4.11 -1.52 -0.52 0.56 119.66 125.99 2a71 s GLN 222 Ca 0.02 -1.46 -0.14 0.00 -1.95 0.00 0.00 55.36 51.84 2a71 s GLN 222 Cb -0.13 -3.26 0.21 0.00 -0.22 0.00 0.00 33.01 29.62 2a71 s GLN 222 CO -0.10 -0.75 1.03 0.12 -0.25 0.00 0.00 175.29 175.34 2a71 s PHE 223 N 1.18 3.74 -0.11 0.91 5.36 -1.26 -1.32 117.98 126.48 2a71 s PHE 223 Ca -0.01 -2.09 -0.29 0.00 -0.96 0.00 0.00 56.93 53.58 2a71 s PHE 223 Cb -0.20 -3.99 -0.03 0.00 -0.34 0.00 0.00 43.02 38.45 2a71 s PHE 223 CO -0.03 -1.14 1.46 -0.06 -1.46 0.00 0.00 175.22 173.99 2a71 s PHE 224 N 0.48 2.41 -0.61 10.12 0.08 -0.03 -2.54 117.98 127.88 2a71 s PHE 224 Ca 0.28 0.61 -0.28 0.00 0.12 0.00 0.00 56.93 57.66 2a71 s PHE 224 Cb -0.08 -3.71 0.03 0.00 -0.57 0.00 0.00 43.02 38.69 2a71 s PHE 224 CO -0.08 -2.76 1.23 1.21 -0.10 0.00 0.00 175.22 174.72 2a71 s ASN 225 N 2.67 6.37 0.00 1.36 3.04 -0.81 -1.45 114.94 126.12 2a71 s ASN 225 Ca 0.64 0.01 0.00 0.00 0.04 0.00 0.00 52.86 53.55 2a71 s ASN 225 Cb -0.27 -2.55 0.00 0.00 -1.54 0.00 0.00 41.25 36.88 2a71 s ASN 225 CO 0.22 -1.57 0.00 0.61 -3.04 0.00 0.00 177.10 173.32 2a71 n GLY 226 N 5.14 0.06 0.00 1.21 0.00 -1.21 -4.83 105.19 105.56 2a71 n GLY 226 Ca 0.08 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.15 2a71 n GLY 226 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70