#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cr7 s GLU 2 N 0.00 3.33 -0.04 0.00 2.12 0.29 -4.93 118.70 119.47 1cr7 s GLU 2 Ca 0.00 -0.70 0.06 0.00 0.36 0.00 0.00 54.97 54.69 1cr7 s GLU 2 Cb 0.00 -3.38 -0.01 0.00 0.26 0.00 0.00 34.13 31.00 1cr7 s GLU 2 CO 0.00 -0.35 -0.23 0.99 -0.54 0.00 0.00 175.26 175.14 1cr7 s THR 3 N 1.56 1.83 -0.09 -1.70 2.01 -1.26 -1.01 115.64 116.98 1cr7 s THR 3 Ca 0.04 -0.96 0.03 0.00 0.31 0.00 0.00 61.69 61.11 1cr7 s THR 3 Cb -0.16 -1.54 0.00 0.00 0.01 0.00 0.00 72.50 70.81 1cr7 s THR 3 CO 0.03 0.52 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.58 1cr7 s VAL 4 N -0.29 1.81 -0.12 3.82 1.01 -0.44 -4.96 120.40 121.23 1cr7 s VAL 4 Ca 0.02 -0.87 -0.16 0.00 0.00 0.00 0.00 61.98 60.97 1cr7 s VAL 4 Cb -0.11 -1.58 0.04 0.00 0.00 0.00 0.00 36.38 34.73 1cr7 s VAL 4 CO 0.01 0.50 0.42 -0.94 0.00 0.00 0.00 175.10 175.10 1cr7 s SER 5 N 0.45 -0.40 0.18 3.32 1.04 -1.26 -0.66 113.70 116.37 1cr7 s SER 5 Ca -0.17 0.66 -0.12 0.00 0.48 0.00 0.00 55.95 56.80 1cr7 s SER 5 Cb -0.17 0.71 0.00 0.00 0.10 0.00 0.00 66.02 66.66 1cr7 s SER 5 CO 0.07 -0.26 0.37 0.72 0.98 0.00 0.00 173.24 175.12 1cr7 s PHE 6 N -0.27 0.22 -0.14 5.02 -0.12 -0.56 -5.01 117.98 117.12 1cr7 s PHE 6 Ca -0.04 -0.58 -0.06 0.00 -0.05 0.00 0.00 56.93 56.20 1cr7 s PHE 6 Cb -0.03 0.10 0.06 0.00 -0.63 0.00 0.00 43.02 42.52 1cr7 s PHE 6 CO 0.02 -0.79 0.31 1.21 -0.05 0.00 0.00 175.22 175.92 1cr7 s ASN 7 N -2.94 -0.05 -0.22 1.98 2.47 -1.26 -0.89 114.94 114.03 1cr7 s ASN 7 Ca 0.14 0.70 0.02 0.00 0.42 0.00 0.00 52.86 54.14 1cr7 s ASN 7 Cb 0.02 0.76 0.04 0.00 -1.45 0.00 0.00 41.25 40.61 1cr7 s ASN 7 CO -0.01 -0.21 -0.15 -0.36 -3.72 0.00 0.00 177.10 172.65 1cr7 s PHE 8 N 2.01 2.97 -0.69 0.43 0.40 0.12 -4.95 117.98 118.27 1cr7 s PHE 8 Ca -0.04 -1.95 0.22 0.00 -0.60 0.00 0.00 56.93 54.56 1cr7 s PHE 8 Cb -0.11 -1.90 -0.09 0.00 0.51 0.00 0.00 43.02 41.42 1cr7 s PHE 8 CO -0.10 -0.84 0.91 0.09 0.70 0.00 0.00 175.22 175.99 1cr7 n ASN 9 N 4.54 0.65 -3.81 1.36 3.02 -1.26 -0.63 115.26 119.13 1cr7 n ASN 9 Ca -0.17 -0.48 -0.05 0.00 -0.03 0.00 0.00 54.58 53.84 1cr7 n ASN 9 Cb 0.46 1.04 -0.02 0.00 -0.61 0.00 0.00 39.78 40.65 1cr7 n ASN 9 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1cr7 s SER 10 N -3.61 -0.22 0.12 6.41 1.04 -1.26 -4.73 113.70 111.45 1cr7 s SER 10 Ca 0.04 -0.50 0.05 0.00 0.48 0.00 0.00 55.95 56.01 1cr7 s SER 10 Cb 0.15 0.61 -0.04 0.00 0.10 0.00 0.00 66.02 66.84 1cr7 s SER 10 CO 0.84 -1.13 -0.12 -0.36 0.98 0.00 0.00 173.24 173.45 1cr7 s PHE 11 N -3.61 1.24 -0.08 5.02 0.40 0.95 -5.03 117.98 116.88 1cr7 s PHE 11 Ca 0.12 -0.63 -0.09 0.00 -0.60 0.00 0.00 56.93 55.73 1cr7 s PHE 11 Cb -0.04 -0.65 0.02 0.00 0.51 0.00 0.00 43.02 42.86 1cr7 s PHE 11 CO 0.05 0.08 0.24 -1.54 0.70 0.00 0.00 175.22 174.74 1cr7 s SER 12 N -2.60 -0.23 0.60 1.36 1.04 -1.26 -4.36 113.70 108.25 1cr7 s SER 12 Ca 0.09 0.42 -0.19 0.00 0.48 0.00 0.00 55.95 56.75 1cr7 s SER 12 Cb -0.03 0.47 -0.03 0.00 0.10 0.00 0.00 66.02 66.53 1cr7 s SER 12 CO 0.01 -0.13 1.29 -1.61 0.98 0.00 0.00 173.24 173.79 1cr7 s GLU 13 N -0.06 2.83 0.00 4.02 2.02 -1.26 -2.82 118.70 123.43 1cr7 s GLU 13 Ca -0.02 2.04 0.00 0.00 0.02 0.00 0.00 54.97 57.02 1cr7 s GLU 13 Cb -0.02 -1.98 0.00 0.00 0.10 0.00 0.00 34.13 32.22 1cr7 s GLU 13 CO 0.01 -1.38 0.00 0.41 0.02 0.00 0.00 175.26 174.32 1cr7 n GLY 14 N 0.75 2.44 3.60 -1.39 0.00 -1.26 -5.00 105.19 104.33 1cr7 n GLY 14 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 1cr7 n GLY 14 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1cr7 s ASN 15 N -1.51 5.89 0.00 1.61 3.04 -1.13 -4.84 114.94 118.00 1cr7 s ASN 15 Ca 0.00 1.42 0.03 0.00 0.04 0.00 0.00 52.86 54.35 1cr7 s ASN 15 Cb 0.00 -2.52 0.18 0.00 -1.54 0.00 0.00 41.25 37.36 1cr7 s ASN 15 CO 0.00 -1.69 0.71 -0.81 -3.04 0.00 0.00 177.10 172.27 1cr7 n PRO 16 N 8.40 0.09 0.00 0.43 -0.04 -1.26 -2.46 135.00 140.16 1cr7 n PRO 16 Ca 0.23 0.05 0.12 0.00 -0.04 0.00 0.00 63.50 63.86 1cr7 n PRO 16 Cb 0.46 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.62 1cr7 n PRO 16 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1cr7 n ALA 17 N -1.05 3.01 -3.09 0.55 0.00 -1.26 -4.77 120.51 113.90 1cr7 n ALA 17 Ca 0.02 -0.57 -0.24 0.00 0.00 0.00 0.00 53.44 52.66 1cr7 n ALA 17 Cb 0.01 -0.94 -0.16 0.00 0.00 0.00 0.00 19.45 18.36 1cr7 n ALA 17 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1cr7 s ILE 18 N -2.29 1.17 -0.15 0.00 1.01 -1.03 -0.05 121.20 119.86 1cr7 s ILE 18 Ca 0.25 -0.55 -0.04 0.00 0.00 0.00 0.00 60.65 60.32 1cr7 s ILE 18 Cb 0.19 -1.03 -0.03 0.00 0.01 0.00 0.00 42.46 41.61 1cr7 s ILE 18 CO 0.45 0.35 -0.03 0.20 0.00 0.00 0.00 174.94 175.91 1cr7 s ASN 19 N 0.25 4.84 -0.05 3.58 0.02 0.58 -4.79 114.94 119.38 1cr7 s ASN 19 Ca -0.07 -0.11 -0.03 0.00 -1.02 0.00 0.00 52.86 51.63 1cr7 s ASN 19 Cb -0.12 -1.76 -0.04 0.00 0.02 0.00 0.00 41.25 39.35 1cr7 s ASN 19 CO 0.02 0.18 0.13 -0.36 0.02 0.00 0.00 177.10 177.09 1cr7 s PHE 20 N 0.28 3.47 -0.07 2.20 0.40 -1.26 -1.15 117.98 121.84 1cr7 s PHE 20 Ca -0.03 0.36 -0.03 0.00 -0.60 0.00 0.00 56.93 56.63 1cr7 s PHE 20 Cb -0.14 -1.84 0.04 0.00 0.51 0.00 0.00 43.02 41.60 1cr7 s PHE 20 CO 0.03 0.64 0.13 -0.65 0.70 0.00 0.00 175.22 176.07 1cr7 s GLN 21 N -1.53 0.01 1.44 0.44 -0.21 -0.24 -5.01 119.66 114.57 1cr7 s GLN 21 Ca 0.21 0.49 0.00 0.00 0.02 0.00 0.00 55.36 56.08 1cr7 s GLN 21 Cb -0.12 -0.31 0.00 0.00 1.00 0.00 0.00 33.01 33.58 1cr7 s GLN 21 CO 0.12 -0.29 0.00 0.41 -2.12 0.00 0.00 175.29 173.41 1cr7 n GLY 22 N 5.16 -0.23 0.78 3.09 0.00 -1.26 -0.43 105.19 112.29 1cr7 n GLY 22 Ca -0.07 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.46 1cr7 n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cr7 n ASP 23 N 0.47 1.70 -4.77 1.61 10.43 0.13 -4.90 116.55 121.22 1cr7 n ASP 23 Ca 0.00 -1.60 -0.39 0.00 2.57 0.00 0.00 54.79 55.37 1cr7 n ASP 23 Cb 0.00 -0.40 -0.02 0.00 1.84 0.00 0.00 41.12 42.54 1cr7 n ASP 23 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1cr7 s VAL 24 N -0.32 3.02 -0.10 2.53 1.01 -1.20 -3.97 120.40 121.36 1cr7 s VAL 24 Ca 0.00 0.90 -0.12 0.00 0.00 0.00 0.00 61.98 62.76 1cr7 s VAL 24 Cb 0.00 -3.52 0.03 0.00 0.00 0.00 0.00 36.38 32.89 1cr7 s VAL 24 CO 0.00 0.12 0.31 0.28 0.00 0.00 0.00 175.10 175.81 1cr7 s THR 25 N -1.33 0.01 -0.29 3.92 -1.32 0.30 -5.00 115.64 111.93 1cr7 s THR 25 Ca 0.55 -0.09 -0.11 0.00 -1.21 0.00 0.00 61.69 60.83 1cr7 s THR 25 Cb -0.33 -0.47 -0.04 0.00 -1.51 0.00 0.00 72.50 70.14 1cr7 s THR 25 CO 0.42 -0.05 0.19 -0.69 -2.21 0.00 0.00 174.62 172.29 1cr7 s VAL 26 N -0.09 5.26 0.89 5.08 1.01 -1.26 0.34 120.40 131.62 1cr7 s VAL 26 Ca -0.02 0.09 -0.12 0.00 0.00 0.00 0.00 61.98 61.92 1cr7 s VAL 26 Cb -0.03 -3.54 0.13 0.00 0.00 0.00 0.00 36.38 32.94 1cr7 s VAL 26 CO 0.01 0.21 1.15 -0.76 0.00 0.00 0.00 175.10 175.71 1cr7 s LEU 27 N 1.75 2.12 0.37 3.92 1.43 0.54 -4.96 118.68 123.85 1cr7 s LEU 27 Ca 0.07 0.92 0.04 0.00 -1.03 0.00 0.00 54.13 54.13 1cr7 s LEU 27 Cb -0.16 -3.28 0.71 0.00 0.03 0.00 0.00 46.19 43.49 1cr7 s LEU 27 CO 0.11 -2.42 2.02 0.77 0.23 0.00 0.00 176.35 177.06 1cr7 h SER 28 N -1.41 0.65 0.00 2.29 4.64 -1.98 -2.13 113.55 115.61 1cr7 h SER 28 Ca -0.50 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 1cr7 h SER 28 Cb 1.33 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1cr7 h SER 28 CO 0.63 0.47 0.00 -0.46 -0.87 0.00 0.00 176.83 176.59 1cr7 n ASN 29 N -4.45 1.00 0.00 4.97 2.04 -1.26 -4.85 115.26 112.70 1cr7 n ASN 29 Ca 0.06 -1.97 0.00 0.00 -0.44 0.00 0.00 54.58 52.22 1cr7 n ASN 29 Cb 0.06 -0.49 0.00 0.00 -2.53 0.00 0.00 39.78 36.82 1cr7 n ASN 29 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1cr7 n GLY 30 N 0.01 2.04 3.82 4.83 0.00 -0.80 -4.89 105.19 110.20 1cr7 n GLY 30 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1cr7 n GLY 30 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1cr7 s ASN 31 N -3.46 6.35 -0.23 1.61 0.02 -1.26 -0.03 114.94 117.94 1cr7 s ASN 31 Ca 0.00 1.71 -0.07 0.00 -1.02 0.00 0.00 52.86 53.49 1cr7 s ASN 31 Cb 0.00 -2.53 -0.03 0.00 0.02 0.00 0.00 41.25 38.71 1cr7 s ASN 31 CO 0.00 -0.77 0.05 -0.63 0.02 0.00 0.00 177.10 175.77 1cr7 s ILE 32 N -2.43 4.25 -0.24 0.60 1.01 -0.86 -0.34 121.20 123.20 1cr7 s ILE 32 Ca 0.62 -0.20 -0.11 0.00 0.00 0.00 0.00 60.65 60.96 1cr7 s ILE 32 Cb -0.13 -2.97 -0.05 0.00 0.01 0.00 0.00 42.46 39.33 1cr7 s ILE 32 CO 0.29 0.37 0.19 -1.58 0.00 0.00 0.00 174.94 174.21 1cr7 s GLN 33 N 1.39 4.08 0.02 2.79 0.74 0.15 -0.57 119.66 128.26 1cr7 s GLN 33 Ca 0.05 -0.22 -0.16 0.00 0.05 0.00 0.00 55.36 55.08 1cr7 s GLN 33 Cb -0.15 -3.54 -0.35 0.00 1.10 0.00 0.00 33.01 30.07 1cr7 s GLN 33 CO 0.03 0.04 0.97 -0.07 -0.55 0.00 0.00 175.29 175.71 1cr7 h LEU 34 N 7.56 0.80 -9.60 3.68 3.38 -1.46 0.88 115.31 120.55 1cr7 h LEU 34 Ca -0.38 -0.92 -0.57 0.00 0.09 0.00 0.00 57.88 56.10 1cr7 h LEU 34 Cb 1.17 -0.26 -0.09 0.00 0.09 0.00 0.00 40.66 41.57 1cr7 h LEU 34 CO 0.66 1.69 -0.63 0.42 0.09 0.00 0.00 178.44 180.67 1cr7 s THR 35 N -2.58 3.80 -0.24 0.22 -4.23 -1.26 -3.23 115.64 108.13 1cr7 s THR 35 Ca -0.10 -1.56 -0.14 0.00 -1.18 0.00 0.00 61.69 58.71 1cr7 s THR 35 Cb 0.04 -2.98 -0.04 0.00 1.34 0.00 0.00 72.50 70.86 1cr7 s THR 35 CO 0.93 -0.24 0.33 0.21 -0.54 0.00 0.00 174.62 175.31 1cr7 s ASN 36 N -3.35 6.29 0.10 3.99 3.84 -1.25 -4.90 114.94 119.66 1cr7 s ASN 36 Ca 0.30 0.33 0.16 0.00 0.21 0.00 0.00 52.86 53.86 1cr7 s ASN 36 Cb -0.08 -2.19 0.69 0.00 -0.55 0.00 0.00 41.25 39.11 1cr7 s ASN 36 CO 0.20 -0.08 1.49 0.18 -2.79 0.00 0.00 177.10 176.10 1cr7 n LEU 37 N 4.75 0.24 -0.74 3.21 4.32 -1.26 -2.88 117.00 124.64 1cr7 n LEU 37 Ca -0.10 0.57 0.09 0.00 -0.02 0.00 0.00 56.01 56.55 1cr7 n LEU 37 Cb 0.51 -0.55 0.08 0.00 -1.62 0.00 0.00 43.42 41.84 1cr7 n LEU 37 CO 0.38 -0.43 0.54 0.59 -1.22 0.00 0.00 177.39 177.24 1cr7 n ASN 38 N -1.78 2.54 -4.77 -1.43 3.02 -1.26 -4.97 115.26 106.61 1cr7 n ASN 38 Ca 0.02 -1.77 -0.35 0.00 -0.03 0.00 0.00 54.58 52.45 1cr7 n ASN 38 Cb 0.15 0.01 -0.08 0.00 -0.61 0.00 0.00 39.78 39.26 1cr7 n ASN 38 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1cr7 s LYS 39 N -1.58 3.15 0.35 3.52 1.02 -1.14 -5.09 119.74 119.97 1cr7 s LYS 39 Ca 0.22 -0.33 -0.25 0.00 0.02 0.00 0.00 55.97 55.62 1cr7 s LYS 39 Cb 0.16 -2.94 -0.10 0.00 -0.52 0.00 0.00 37.83 34.43 1cr7 s LYS 39 CO 0.24 0.72 0.96 0.08 -0.92 0.00 0.00 175.35 176.43 1cr7 s VAL 40 N -1.00 4.17 -1.46 3.17 1.01 -1.26 -3.73 120.40 121.30 1cr7 s VAL 40 Ca 0.16 1.71 -0.04 0.00 0.00 0.00 0.00 61.98 63.80 1cr7 s VAL 40 Cb -0.12 -3.90 0.03 0.00 0.00 0.00 0.00 36.38 32.39 1cr7 s VAL 40 CO 0.05 0.05 0.53 0.59 0.00 0.00 0.00 175.10 176.32 1cr7 n ASN 41 N 0.29 -1.12 -4.77 3.32 5.03 -1.17 -4.89 115.26 111.95 1cr7 n ASN 41 Ca 0.03 -0.99 -0.40 0.00 0.87 0.00 0.00 54.58 54.09 1cr7 n ASN 41 Cb 0.51 -3.09 -0.02 0.00 -1.02 0.00 0.00 39.78 36.15 1cr7 n ASN 41 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1cr7 s SER 42 N -4.12 6.81 -0.02 6.41 0.15 -1.24 -4.45 113.70 117.24 1cr7 s SER 42 Ca 0.17 2.61 -0.00 0.00 0.70 0.00 0.00 55.95 59.43 1cr7 s SER 42 Cb -0.09 -2.64 0.02 0.00 -1.71 0.00 0.00 66.02 61.60 1cr7 s SER 42 CO 0.89 -0.50 0.03 -0.69 1.20 0.00 0.00 173.24 174.17 1cr7 s VAL 43 N -1.16 -0.04 -0.03 4.45 1.01 -1.26 -1.19 120.40 122.17 1cr7 s VAL 43 Ca 0.49 0.15 -0.02 0.00 0.00 0.00 0.00 61.98 62.59 1cr7 s VAL 43 Cb -0.38 -0.07 0.01 0.00 0.00 0.00 0.00 36.38 35.94 1cr7 s VAL 43 CO 0.50 0.06 0.08 -0.83 0.00 0.00 0.00 175.10 174.92 1cr7 s GLY 44 N 0.73 -0.03 -0.01 4.51 0.00 -0.77 0.20 107.32 111.95 1cr7 s GLY 44 Ca -0.06 0.30 -0.03 0.00 0.00 0.00 0.00 44.72 44.93 1cr7 s GLY 44 CO -0.02 0.37 0.06 0.50 0.00 0.00 0.00 173.10 174.01 1cr7 s ARG 45 N 0.34 0.23 -0.07 2.90 0.52 0.43 -1.37 118.95 121.92 1cr7 s ARG 45 Ca -0.03 -0.21 0.01 0.00 -0.52 0.00 0.00 55.73 54.99 1cr7 s ARG 45 Cb -0.04 0.09 0.02 0.00 0.52 0.00 0.00 34.95 35.55 1cr7 s ARG 45 CO -0.01 -0.04 -0.08 0.54 0.02 0.00 0.00 175.30 175.72 1cr7 s VAL 46 N -0.68 0.91 0.12 3.52 0.11 0.15 -1.08 120.40 123.45 1cr7 s VAL 46 Ca -0.08 -0.30 0.08 0.00 -2.93 0.00 0.00 61.98 58.76 1cr7 s VAL 46 Cb -0.05 -0.89 -0.04 0.00 -1.53 0.00 0.00 36.38 33.88 1cr7 s VAL 46 CO 0.00 0.32 -0.20 -0.76 -3.33 0.00 0.00 175.10 171.13 1cr7 s LEU 47 N 1.09 2.35 -0.18 2.54 1.43 -0.30 -0.39 118.68 125.22 1cr7 s LEU 47 Ca -0.07 -0.75 -0.29 0.00 -1.03 0.00 0.00 54.13 51.99 1cr7 s LEU 47 Cb -0.14 -0.85 -0.01 0.00 0.03 0.00 0.00 46.19 45.22 1cr7 s LEU 47 CO -0.01 0.02 1.19 -0.47 0.23 0.00 0.00 176.35 177.31 1cr7 s TYR 48 N -1.49 3.01 0.27 0.29 5.04 -0.38 -0.31 117.35 123.78 1cr7 s TYR 48 Ca 0.09 1.16 -0.01 0.00 -2.44 0.00 0.00 57.07 55.87 1cr7 s TYR 48 Cb -0.08 -3.43 0.58 0.00 0.35 0.00 0.00 41.96 39.38 1cr7 s TYR 48 CO 0.05 -1.31 1.67 0.00 -1.34 0.00 0.00 175.55 174.62 1cr7 h ALA 49 N 7.94 1.13 -2.61 3.97 0.00 -0.77 -3.42 119.26 125.50 1cr7 h ALA 49 Ca -0.25 0.19 -0.52 0.00 0.00 0.00 0.00 54.91 54.33 1cr7 h ALA 49 Cb 1.09 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 1cr7 h ALA 49 CO 0.97 -0.38 0.32 1.41 0.00 0.00 0.00 179.25 181.58 1cr7 s MET 50 N -5.99 4.68 0.40 0.00 0.00 -1.26 -5.00 119.30 112.13 1cr7 s MET 50 Ca -0.12 1.39 -0.24 0.00 0.00 0.00 0.00 55.69 56.72 1cr7 s MET 50 Cb 0.23 -3.36 -0.09 0.00 0.00 0.00 0.00 34.83 31.61 1cr7 s MET 50 CO 0.77 0.27 1.02 -1.25 0.00 0.00 0.00 175.02 175.82 1cr7 s PRO 51 N -0.16 4.22 -0.14 4.11 0.04 -1.26 -4.82 135.00 136.98 1cr7 s PRO 51 Ca 0.45 1.43 -0.03 0.00 0.04 0.00 0.00 61.00 62.89 1cr7 s PRO 51 Cb -0.23 -2.52 -0.03 0.00 0.04 0.00 0.00 34.50 31.76 1cr7 s PRO 51 CO 0.29 -0.08 -0.02 0.08 0.04 0.00 0.00 177.00 177.31 1cr7 s VAL 52 N -1.72 4.06 -0.69 -0.36 1.01 -0.11 -4.91 120.40 117.67 1cr7 s VAL 52 Ca 0.58 -0.31 -0.26 0.00 0.00 0.00 0.00 61.98 61.98 1cr7 s VAL 52 Cb -0.20 -2.76 0.04 0.00 0.00 0.00 0.00 36.38 33.46 1cr7 s VAL 52 CO 0.25 0.52 1.20 -0.60 0.00 0.00 0.00 175.10 176.47 1cr7 s ARG 53 N 0.06 3.23 0.00 2.72 3.52 -1.26 -1.49 118.95 125.73 1cr7 s ARG 53 Ca 0.01 -0.26 0.28 0.00 -0.13 0.00 0.00 55.73 55.63 1cr7 s ARG 53 Cb -0.13 -4.16 1.12 0.00 -1.56 0.00 0.00 34.95 30.22 1cr7 s ARG 53 CO 0.02 -2.00 1.82 0.44 -0.81 0.00 0.00 175.30 174.77 1cr7 n ILE 54 N 6.34 0.00 -3.53 4.11 -5.35 -0.14 -4.86 119.36 115.94 1cr7 n ILE 54 Ca 0.03 -0.02 -0.13 0.00 -0.27 0.00 0.00 62.75 62.35 1cr7 n ILE 54 Cb 0.48 -0.22 -0.05 0.00 -1.74 0.00 0.00 39.64 38.12 1cr7 n ILE 54 CO 0.00 0.00 0.00 -1.66 -1.76 0.00 0.00 176.55 173.13 1cr7 s TRP 55 N -2.78 -0.50 -0.14 4.28 1.48 -1.21 -0.85 118.94 119.22 1cr7 s TRP 55 Ca 0.20 0.76 0.01 0.00 -1.06 0.00 0.00 56.10 56.00 1cr7 s TRP 55 Cb 0.19 0.45 -0.01 0.00 -1.16 0.00 0.00 33.47 32.95 1cr7 s TRP 55 CO 0.54 -0.53 -0.16 0.45 -4.06 0.00 0.00 176.95 173.19 1cr7 s SER 56 N -1.47 3.69 0.42 -2.66 0.15 -0.90 -4.68 113.70 108.25 1cr7 s SER 56 Ca -0.04 -0.43 0.22 0.00 0.70 0.00 0.00 55.95 56.39 1cr7 s SER 56 Cb -0.00 -1.55 0.86 0.00 -1.71 0.00 0.00 66.02 63.62 1cr7 s SER 56 CO 0.02 0.13 1.81 0.77 1.20 0.00 0.00 173.24 177.17 1cr7 h SER 57 N 6.97 0.00 -0.70 5.45 4.64 -1.95 0.77 113.55 128.74 1cr7 h SER 57 Ca -0.27 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.00 1cr7 h SER 57 Cb 1.21 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.27 1cr7 h SER 57 CO 0.55 0.27 0.25 0.00 -0.87 0.00 0.00 176.83 177.03 1cr7 h ALA 58 N 1.73 0.91 0.00 5.18 0.00 -1.98 -3.31 119.26 121.79 1cr7 h ALA 58 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1cr7 h ALA 58 Cb 0.77 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1cr7 h ALA 58 CO 0.04 0.56 -1.26 0.25 0.00 0.00 0.00 179.25 178.84 1cr7 n THR 59 N -4.34 0.00 -0.99 0.00 -2.24 -1.16 -5.00 114.28 100.55 1cr7 n THR 59 Ca 0.05 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1cr7 n THR 59 Cb 0.20 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 1cr7 n THR 59 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cr7 n GLY 60 N 1.81 0.45 3.80 3.38 0.00 0.27 -5.01 105.19 109.89 1cr7 n GLY 60 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 1cr7 n GLY 60 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1cr7 s ASN 61 N -2.08 7.16 0.11 1.61 0.02 -1.22 -4.87 114.94 115.68 1cr7 s ASN 61 Ca 0.00 1.58 0.05 0.00 -1.02 0.00 0.00 52.86 53.46 1cr7 s ASN 61 Cb 0.00 -2.48 -0.04 0.00 0.02 0.00 0.00 41.25 38.75 1cr7 s ASN 61 CO 0.00 -0.00 0.05 -0.69 0.02 0.00 0.00 177.10 176.48 1cr7 s VAL 62 N -1.56 4.26 0.45 1.60 1.01 -1.26 -2.12 120.40 122.77 1cr7 s VAL 62 Ca 0.46 -0.98 -0.10 0.00 0.00 0.00 0.00 61.98 61.35 1cr7 s VAL 62 Cb -0.17 -3.08 -0.06 0.00 0.00 0.00 0.00 36.38 33.07 1cr7 s VAL 62 CO 0.22 0.05 0.82 0.00 0.00 0.00 0.00 175.10 176.19 1cr7 s ALA 63 N -1.47 3.30 0.02 5.51 0.00 -0.03 -4.69 121.76 124.40 1cr7 s ALA 63 Ca 0.28 -0.20 0.02 0.00 0.00 0.00 0.00 51.96 52.07 1cr7 s ALA 63 Cb -0.11 -2.77 -0.04 0.00 0.00 0.00 0.00 23.12 20.20 1cr7 s ALA 63 CO 0.21 -0.15 0.00 -1.12 0.00 0.00 0.00 175.76 174.70 1cr7 s SER 64 N -3.39 5.12 -0.00 0.00 0.01 -0.72 -4.16 113.70 110.56 1cr7 s SER 64 Ca 0.52 -0.04 -0.05 0.00 1.31 0.00 0.00 55.95 57.70 1cr7 s SER 64 Cb -0.10 -1.32 -0.00 0.00 0.21 0.00 0.00 66.02 64.81 1cr7 s SER 64 CO 0.35 0.26 0.09 0.72 0.41 0.00 0.00 173.24 175.07 1cr7 s PHE 65 N -1.14 0.06 -0.06 2.43 -0.12 -0.86 -1.01 117.98 117.27 1cr7 s PHE 65 Ca 0.21 -0.13 0.04 0.00 -0.05 0.00 0.00 56.93 57.00 1cr7 s PHE 65 Cb -0.12 -0.06 0.00 0.00 -0.63 0.00 0.00 43.02 42.21 1cr7 s PHE 65 CO 0.12 -0.21 -0.19 -1.17 -0.05 0.00 0.00 175.22 173.72 1cr7 s LEU 66 N -1.05 1.92 -0.08 -1.99 2.96 -0.15 -0.87 118.68 119.43 1cr7 s LEU 66 Ca -0.11 -0.42 -0.17 0.00 -0.22 0.00 0.00 54.13 53.21 1cr7 s LEU 66 Cb -0.07 -1.12 0.04 0.00 0.50 0.00 0.00 46.19 45.55 1cr7 s LEU 66 CO 0.01 0.14 0.41 0.28 -1.32 0.00 0.00 176.35 175.87 1cr7 s THR 67 N 0.22 0.03 0.01 3.68 -1.32 -0.12 -1.31 115.64 116.83 1cr7 s THR 67 Ca -0.10 -0.21 -0.01 0.00 -1.21 0.00 0.00 61.69 60.16 1cr7 s THR 67 Cb -0.14 -0.66 -0.01 0.00 -1.51 0.00 0.00 72.50 70.17 1cr7 s THR 67 CO 0.05 -0.12 -0.00 -0.94 -2.21 0.00 0.00 174.62 171.40 1cr7 s SER 68 N -0.67 0.11 0.11 8.08 1.04 -0.86 0.14 113.70 121.64 1cr7 s SER 68 Ca -0.08 -0.23 -0.19 0.00 0.48 0.00 0.00 55.95 55.93 1cr7 s SER 68 Cb -0.04 0.07 0.04 0.00 0.10 0.00 0.00 66.02 66.20 1cr7 s SER 68 CO 0.04 -0.16 0.46 0.72 0.98 0.00 0.00 173.24 175.27 1cr7 s PHE 69 N -0.76 -0.31 0.02 5.02 -0.12 -0.67 -1.02 117.98 120.15 1cr7 s PHE 69 Ca -0.08 0.10 0.03 0.00 -0.05 0.00 0.00 56.93 56.93 1cr7 s PHE 69 Cb -0.05 0.32 -0.02 0.00 -0.63 0.00 0.00 43.02 42.64 1cr7 s PHE 69 CO -0.00 -0.70 -0.10 -1.54 -0.05 0.00 0.00 175.22 172.82 1cr7 s SER 70 N -2.55 1.21 0.26 1.98 1.04 -0.87 -0.95 113.70 113.81 1cr7 s SER 70 Ca 0.00 -0.35 -0.01 0.00 0.48 0.00 0.00 55.95 56.06 1cr7 s SER 70 Cb 0.01 -0.08 -0.03 0.00 0.10 0.00 0.00 66.02 66.02 1cr7 s SER 70 CO -0.09 0.01 0.27 0.72 0.98 0.00 0.00 173.24 175.13 1cr7 s PHE 71 N -0.70 1.14 -0.10 5.02 -0.12 -0.98 -0.33 117.98 121.91 1cr7 s PHE 71 Ca -0.00 -1.32 -0.09 0.00 -0.05 0.00 0.00 56.93 55.47 1cr7 s PHE 71 Cb -0.06 -0.40 0.03 0.00 -0.63 0.00 0.00 43.02 41.95 1cr7 s PHE 71 CO 0.00 -0.82 0.27 -2.00 -0.05 0.00 0.00 175.22 172.63 1cr7 s GLU 72 N -3.83 0.31 -0.07 1.99 2.12 0.03 -1.35 118.70 117.89 1cr7 s GLU 72 Ca 0.35 0.40 0.04 0.00 0.36 0.00 0.00 54.97 56.13 1cr7 s GLU 72 Cb 0.04 0.12 -0.00 0.00 0.26 0.00 0.00 34.13 34.55 1cr7 s GLU 72 CO 0.16 -0.05 -0.21 -1.64 -0.54 0.00 0.00 175.26 172.98 1cr7 s MET 73 N 0.28 2.44 -0.03 4.30 -1.94 -1.26 -0.46 119.30 122.62 1cr7 s MET 73 Ca -0.01 -0.75 0.03 0.00 -1.71 0.00 0.00 55.69 53.24 1cr7 s MET 73 Cb -0.03 -1.96 0.00 0.00 2.01 0.00 0.00 34.83 34.86 1cr7 s MET 73 CO -0.01 0.22 -0.11 0.21 -0.01 0.00 0.00 175.02 175.32 1cr7 s LYS 74 N 0.21 1.16 0.76 2.03 2.20 -0.70 -0.76 119.74 124.63 1cr7 s LYS 74 Ca -0.11 -0.36 -0.13 0.00 -0.36 0.00 0.00 55.97 55.01 1cr7 s LYS 74 Cb -0.15 -1.05 0.06 0.00 -1.51 0.00 0.00 37.83 35.17 1cr7 s LYS 74 CO 0.05 0.12 1.14 -0.51 -0.36 0.00 0.00 175.35 175.80 1cr7 s ASP 75 N 0.22 4.22 0.08 1.43 -0.00 -1.26 -0.96 116.67 120.41 1cr7 s ASP 75 Ca -0.04 2.10 0.03 0.00 -0.00 0.00 0.00 52.55 54.63 1cr7 s ASP 75 Cb -0.10 -2.56 -0.03 0.00 -0.00 0.00 0.00 42.92 40.23 1cr7 s ASP 75 CO 0.01 -2.23 -0.08 0.27 -0.00 0.00 0.00 175.17 173.14 1cr7 s ILE 76 N -2.44 0.75 0.59 0.77 -4.36 -1.26 -4.78 121.20 110.46 1cr7 s ILE 76 Ca 0.68 -1.60 -0.19 0.00 -0.26 0.00 0.00 60.65 59.27 1cr7 s ILE 76 Cb -0.23 -1.28 -0.03 0.00 1.25 0.00 0.00 42.46 42.17 1cr7 s ILE 76 CO 0.50 -0.62 1.26 -0.54 0.24 0.00 0.00 174.94 175.77 1cr7 s LYS 77 N -2.85 2.91 0.00 0.37 1.02 -1.26 -3.89 119.74 116.05 1cr7 s LYS 77 Ca 0.04 1.98 0.00 0.00 0.02 0.00 0.00 55.97 58.01 1cr7 s LYS 77 Cb -0.02 -1.99 0.00 0.00 -0.52 0.00 0.00 37.83 35.30 1cr7 s LYS 77 CO -0.02 -1.29 0.00 -0.25 -0.92 0.00 0.00 175.35 172.87 1cr7 n ASP 78 N -1.52 0.00 -4.87 2.83 8.00 -1.26 -4.94 116.55 114.79 1cr7 n ASP 78 Ca 0.13 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.33 1cr7 n ASP 78 Cb 0.48 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.54 1cr7 n ASP 78 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1cr7 s TYR 79 N 0.00 3.44 0.12 1.24 1.51 -1.25 -5.05 117.35 117.37 1cr7 s TYR 79 Ca 0.00 1.06 -0.30 0.00 -1.01 0.00 0.00 57.07 56.82 1cr7 s TYR 79 Cb 0.00 -2.44 -0.06 0.00 -0.11 0.00 0.00 41.96 39.35 1cr7 s TYR 79 CO 0.00 -0.01 0.96 -0.51 -1.11 0.00 0.00 175.55 174.88 1cr7 s ASP 80 N -2.86 7.51 -0.46 2.29 -0.00 -0.00 -4.72 116.67 118.43 1cr7 s ASP 80 Ca 0.51 1.82 -0.27 0.00 -0.00 0.00 0.00 52.55 54.61 1cr7 s ASP 80 Cb -0.10 -2.59 -0.05 0.00 -0.00 0.00 0.00 42.92 40.17 1cr7 s ASP 80 CO 0.27 -0.05 2.21 -2.84 -0.00 0.00 0.00 175.17 174.76 1cr7 s PRO 81 N -0.13 2.48 0.14 8.23 0.02 -1.26 -1.16 135.00 143.33 1cr7 s PRO 81 Ca 0.46 1.33 -0.24 0.00 0.02 0.00 0.00 61.00 62.57 1cr7 s PRO 81 Cb -0.24 -4.48 0.07 0.00 0.02 0.00 0.00 34.50 29.88 1cr7 s PRO 81 CO 0.30 -2.86 0.68 0.00 -0.33 0.00 0.00 177.00 174.80 1cr7 s ALA 82 N 10.46 -1.61 -0.04 -1.55 0.00 -1.26 -4.61 121.76 123.15 1cr7 s ALA 82 Ca 0.90 0.50 0.15 0.00 0.00 0.00 0.00 51.96 53.50 1cr7 s ALA 82 Cb -0.19 0.78 -0.22 0.00 0.00 0.00 0.00 23.12 23.49 1cr7 s ALA 82 CO 0.27 -0.79 0.33 -0.25 0.00 0.00 0.00 175.76 175.31 1cr7 n ASP 83 N -0.36 1.65 0.00 0.00 8.00 0.23 -3.17 116.55 122.89 1cr7 n ASP 83 Ca -0.14 -0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.34 1cr7 n ASP 83 Cb 0.64 1.64 0.00 0.00 -0.02 0.00 0.00 41.12 43.38 1cr7 n ASP 83 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1cr7 n GLY 84 N 1.67 0.98 3.29 0.44 0.00 -1.26 -2.14 105.19 108.18 1cr7 n GLY 84 Ca -0.02 -1.99 -0.22 0.00 0.00 0.00 0.00 46.02 43.79 1cr7 n GLY 84 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1cr7 s ILE 85 N -1.17 1.66 -0.03 -0.61 1.01 -0.50 -3.61 121.20 117.95 1cr7 s ILE 85 Ca 0.00 -1.72 -0.01 0.00 0.00 0.00 0.00 60.65 58.93 1cr7 s ILE 85 Cb 0.00 -1.65 0.03 0.00 0.01 0.00 0.00 42.46 40.85 1cr7 s ILE 85 CO 0.00 -0.24 0.05 -0.51 0.00 0.00 0.00 174.94 174.25 1cr7 s ILE 86 N -1.70 -0.06 -0.29 2.92 2.07 0.06 -0.37 121.20 123.83 1cr7 s ILE 86 Ca 0.10 0.23 -0.17 0.00 -1.41 0.00 0.00 60.65 59.40 1cr7 s ILE 86 Cb -0.07 -0.12 -0.02 0.00 0.13 0.00 0.00 42.46 42.38 1cr7 s ILE 86 CO 0.05 0.09 0.47 0.12 -1.91 0.00 0.00 174.94 173.76 1cr7 s PHE 87 N 1.18 3.23 0.28 3.50 5.36 0.12 -1.31 117.98 130.35 1cr7 s PHE 87 Ca -0.08 0.43 0.03 0.00 -0.96 0.00 0.00 56.93 56.35 1cr7 s PHE 87 Cb -0.13 -2.73 -0.06 0.00 -0.34 0.00 0.00 43.02 39.77 1cr7 s PHE 87 CO -0.04 -0.34 0.05 -0.59 -1.46 0.00 0.00 175.22 172.84 1cr7 s PHE 88 N 2.25 1.74 -0.07 10.12 -0.12 -0.59 0.14 117.98 131.46 1cr7 s PHE 88 Ca 0.18 -1.00 0.01 0.00 -0.05 0.00 0.00 56.93 56.08 1cr7 s PHE 88 Cb -0.16 -1.08 0.02 0.00 -0.63 0.00 0.00 43.02 41.18 1cr7 s PHE 88 CO 0.11 -0.09 -0.08 0.42 -0.05 0.00 0.00 175.22 175.53 1cr7 s ILE 89 N -3.44 0.86 0.22 -4.49 1.01 0.89 -1.90 121.20 114.35 1cr7 s ILE 89 Ca 0.34 -0.28 -0.06 0.00 0.00 0.00 0.00 60.65 60.65 1cr7 s ILE 89 Cb 0.08 -0.84 -0.03 0.00 0.01 0.00 0.00 42.46 41.67 1cr7 s ILE 89 CO 0.13 0.31 0.27 0.00 0.00 0.00 0.00 174.94 175.64 1cr7 s ALA 90 N 1.02 0.60 0.80 9.38 0.00 -0.78 -1.07 121.76 131.70 1cr7 s ALA 90 Ca -0.09 -1.36 -0.12 0.00 0.00 0.00 0.00 51.96 50.39 1cr7 s ALA 90 Cb -0.14 1.25 0.08 0.00 0.00 0.00 0.00 23.12 24.30 1cr7 s ALA 90 CO -0.00 -0.69 1.15 -2.14 0.00 0.00 0.00 175.76 174.08 1cr7 s PRO 91 N -4.10 1.83 0.65 0.00 0.02 -1.26 -0.94 135.00 131.21 1cr7 s PRO 91 Ca 0.32 1.51 0.39 0.00 0.02 0.00 0.00 61.00 63.24 1cr7 s PRO 91 Cb 0.04 -1.82 2.15 0.00 0.02 0.00 0.00 34.50 34.89 1cr7 s PRO 91 CO 0.10 -2.02 2.25 1.05 -0.33 0.00 0.00 177.00 178.06 1cr7 h GLU 92 N -1.01 0.00 -0.52 5.54 4.11 -1.86 -1.15 114.58 119.69 1cr7 h GLU 92 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 1cr7 h GLU 92 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1cr7 h GLU 92 CO 0.48 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.16 1cr7 n ASP 93 N -3.20 2.67 -4.73 3.06 5.68 -1.26 -4.96 116.55 113.81 1cr7 n ASP 93 Ca -0.02 -2.16 -0.42 0.00 -0.50 0.00 0.00 54.79 51.69 1cr7 n ASP 93 Cb 0.15 -0.38 -0.01 0.00 -1.14 0.00 0.00 41.12 39.74 1cr7 n ASP 93 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 1cr7 n THR 94 N 0.62 1.28 -4.05 2.12 5.66 -0.43 -5.00 114.28 114.47 1cr7 n THR 94 Ca 0.15 -0.32 -0.10 0.00 -3.05 0.00 0.00 64.05 60.73 1cr7 n THR 94 Cb 0.48 -1.82 -0.07 0.00 -1.55 0.00 0.00 70.33 67.37 1cr7 n THR 94 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 1cr7 s GLN 95 N -0.90 1.36 0.13 1.09 -1.52 -1.26 -5.08 119.66 113.48 1cr7 s GLN 95 Ca 0.62 -1.35 -0.31 0.00 -1.95 0.00 0.00 55.36 52.37 1cr7 s GLN 95 Cb -0.53 0.39 -0.09 0.00 -0.22 0.00 0.00 33.01 32.56 1cr7 s GLN 95 CO 0.53 -0.52 1.43 0.42 -0.25 0.00 0.00 175.29 176.90 1cr7 s ILE 96 N -4.05 3.12 0.04 1.08 1.01 -1.26 -4.89 121.20 116.25 1cr7 s ILE 96 Ca 0.26 0.81 -0.35 0.00 0.00 0.00 0.00 60.65 61.38 1cr7 s ILE 96 Cb 0.03 -3.52 -0.14 0.00 0.01 0.00 0.00 42.46 38.84 1cr7 s ILE 96 CO 0.08 0.07 1.65 -2.65 0.00 0.00 0.00 174.94 174.09 1cr7 n PRO 97 N 3.85 1.96 -1.65 2.79 -0.02 -1.26 -4.87 135.00 135.80 1cr7 n PRO 97 Ca 0.12 0.71 -0.44 0.00 -2.02 0.00 0.00 63.50 61.86 1cr7 n PRO 97 Cb 0.41 -2.48 -0.02 0.00 -0.02 0.00 0.00 33.50 31.39 1cr7 n PRO 97 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1cr7 n ALA 98 N 4.45 0.66 -3.46 3.55 0.00 -1.26 -1.29 120.51 123.17 1cr7 n ALA 98 Ca 0.20 0.40 -0.23 0.00 0.00 0.00 0.00 53.44 53.81 1cr7 n ALA 98 Cb 0.27 -2.19 0.07 0.00 0.00 0.00 0.00 19.45 17.60 1cr7 n ALA 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cr7 n GLY 99 N 1.53 -0.49 3.75 0.00 0.00 -1.26 -4.91 105.19 103.81 1cr7 n GLY 99 Ca 0.09 0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.90 1cr7 n GLY 99 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1cr7 s SER 100 N -3.21 6.59 0.00 1.61 0.15 -0.41 -4.88 113.70 113.56 1cr7 s SER 100 Ca 0.52 2.76 0.25 0.00 0.70 0.00 0.00 55.95 60.18 1cr7 s SER 100 Cb -0.23 -2.63 0.38 0.00 -1.71 0.00 0.00 66.02 61.82 1cr7 s SER 100 CO 0.64 -0.73 1.34 2.30 1.20 0.00 0.00 173.24 177.99 1cr7 n ILE 101 N 1.85 0.00 -1.30 6.45 -5.35 -1.26 -5.04 119.36 114.71 1cr7 n ILE 101 Ca 0.05 -0.28 0.00 0.00 -0.27 0.00 0.00 62.75 62.25 1cr7 n ILE 101 Cb 0.40 1.00 0.00 0.00 -1.74 0.00 0.00 39.64 39.29 1cr7 n ILE 101 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1cr7 n GLY 102 N 1.35 2.79 7.00 3.28 0.00 -1.26 -4.68 105.19 113.67 1cr7 n GLY 102 Ca 0.12 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1cr7 n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cr7 n GLY 103 N 0.00 2.83 0.00 -0.02 0.00 0.12 -1.72 105.19 106.40 1cr7 n GLY 103 Ca 0.00 -0.18 0.04 0.00 0.00 0.00 0.00 46.02 45.89 1cr7 n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cr7 n GLY 104 N 0.00 -0.38 0.01 -0.02 0.00 -1.26 -1.65 105.19 101.88 1cr7 n GLY 104 Ca 0.00 -0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.10 1cr7 n GLY 104 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1cr7 n THR 105 N -1.10 0.00 -1.49 2.61 -2.24 -0.70 -4.91 114.28 106.45 1cr7 n THR 105 Ca 0.06 -0.01 -0.13 0.00 -2.27 0.00 0.00 64.05 61.70 1cr7 n THR 105 Cb 0.04 -0.23 -0.05 0.00 -2.10 0.00 0.00 70.33 67.99 1cr7 n THR 105 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1cr7 n LEU 106 N -1.44 -0.97 -0.19 3.22 4.77 -0.66 -1.30 117.00 120.42 1cr7 n LEU 106 Ca 0.08 0.30 -0.03 0.00 -0.03 0.00 0.00 56.01 56.33 1cr7 n LEU 106 Cb 0.33 -1.99 -0.01 0.00 -2.33 0.00 0.00 43.42 39.42 1cr7 n LEU 106 CO 0.29 -0.62 -0.02 0.61 -1.33 0.00 0.00 177.39 176.32 1cr7 n GLY 107 N -0.30 0.55 0.00 -0.72 0.00 -1.26 -4.09 105.19 99.37 1cr7 n GLY 107 Ca -0.13 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1cr7 n GLY 107 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1cr7 n VAL 108 N -2.73 0.00 -4.30 1.61 0.24 -0.42 -4.53 118.33 108.20 1cr7 n VAL 108 Ca -0.03 -0.30 -0.16 0.00 -2.04 0.00 0.00 64.34 61.81 1cr7 n VAL 108 Cb 0.18 1.28 -0.10 0.00 -1.47 0.00 0.00 33.84 33.73 1cr7 n VAL 108 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1cr7 s SER 109 N -0.19 1.09 0.76 -1.34 1.04 -1.12 -4.54 113.70 109.40 1cr7 s SER 109 Ca 0.00 -1.45 -0.01 0.00 0.48 0.00 0.00 55.95 54.98 1cr7 s SER 109 Cb 0.00 0.28 0.01 0.00 0.10 0.00 0.00 66.02 66.42 1cr7 s SER 109 CO 0.00 -0.81 0.07 -0.90 0.98 0.00 0.00 173.24 172.58 1cr7 n ASP 110 N -0.59 0.04 0.27 7.02 5.68 0.09 -4.80 116.55 124.25 1cr7 n ASP 110 Ca 0.01 -1.04 0.09 0.00 -0.50 0.00 0.00 54.79 53.35 1cr7 n ASP 110 Cb 0.66 -0.05 0.69 0.00 -1.14 0.00 0.00 41.12 41.27 1cr7 n ASP 110 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 1cr7 h THR 111 N -0.78 0.91 -0.00 2.12 2.02 -1.92 0.26 112.91 115.52 1cr7 h THR 111 Ca -0.02 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.12 1cr7 h THR 111 Cb 0.07 1.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 1cr7 h THR 111 CO 0.02 0.01 -0.10 0.29 0.37 0.00 0.00 175.52 176.11 1cr7 n LYS 112 N -4.39 0.07 -0.91 6.66 4.76 -1.26 -4.90 118.16 118.20 1cr7 n LYS 112 Ca -0.03 -0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.40 1cr7 n LYS 112 Cb 0.10 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.79 1cr7 n LYS 112 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1cr7 n GLY 113 N 1.47 0.66 3.76 0.72 0.00 0.92 -4.91 105.19 107.81 1cr7 n GLY 113 Ca 0.08 -0.72 -0.28 0.00 0.00 0.00 0.00 46.02 45.10 1cr7 n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cr7 s ALA 114 N -2.00 3.48 -0.01 4.61 0.00 -1.26 -0.90 121.76 125.68 1cr7 s ALA 114 Ca 0.00 -1.17 -0.12 0.00 0.00 0.00 0.00 51.96 50.67 1cr7 s ALA 114 Cb 0.00 -1.31 0.04 0.00 0.00 0.00 0.00 23.12 21.85 1cr7 s ALA 114 CO 0.00 0.59 0.53 0.41 0.00 0.00 0.00 175.76 177.29 1cr7 n GLY 115 N 0.02 0.47 2.99 0.00 0.00 -0.83 -0.74 105.19 107.10 1cr7 n GLY 115 Ca -0.09 -0.92 -0.32 0.00 0.00 0.00 0.00 46.02 44.69 1cr7 n GLY 115 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1cr7 s HIS 116 N -2.67 3.38 0.07 1.61 2.46 -1.26 -4.44 115.29 114.44 1cr7 s HIS 116 Ca 0.13 -3.07 -0.26 0.00 0.47 0.00 0.00 55.06 52.32 1cr7 s HIS 116 Cb -0.00 -2.94 0.08 0.00 -0.13 0.00 0.00 32.58 29.59 1cr7 s HIS 116 CO -0.00 -0.73 0.82 -0.59 -2.47 0.00 0.00 174.74 171.77 1cr7 s PHE 117 N -0.57 -0.35 -0.00 3.88 -0.12 -1.26 -4.25 117.98 115.31 1cr7 s PHE 117 Ca 0.20 0.16 0.05 0.00 -0.05 0.00 0.00 56.93 57.28 1cr7 s PHE 117 Cb -0.19 0.57 -0.01 0.00 -0.63 0.00 0.00 43.02 42.76 1cr7 s PHE 117 CO -0.05 -0.69 -0.16 0.08 -0.05 0.00 0.00 175.22 174.35 1cr7 s VAL 118 N -3.33 1.26 0.09 -2.49 1.01 -0.23 -0.43 120.40 116.27 1cr7 s VAL 118 Ca 0.05 -0.76 -0.27 0.00 0.00 0.00 0.00 61.98 61.01 1cr7 s VAL 118 Cb -0.01 -1.06 0.09 0.00 0.00 0.00 0.00 36.38 35.39 1cr7 s VAL 118 CO -0.07 0.29 1.12 -0.83 0.00 0.00 0.00 175.10 175.61 1cr7 s GLY 119 N -0.54 -0.21 -0.20 4.51 0.00 0.32 -0.08 107.32 111.13 1cr7 s GLY 119 Ca 0.06 0.20 0.01 0.00 0.00 0.00 0.00 44.72 44.99 1cr7 s GLY 119 CO -0.00 1.16 -0.17 0.14 0.00 0.00 0.00 173.10 174.23 1cr7 s VAL 120 N -2.62 2.02 0.05 1.40 1.01 0.12 -0.15 120.40 122.24 1cr7 s VAL 120 Ca 0.17 -1.06 0.01 0.00 0.00 0.00 0.00 61.98 61.10 1cr7 s VAL 120 Cb 0.01 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 1cr7 s VAL 120 CO 0.01 0.40 0.11 -1.83 0.00 0.00 0.00 175.10 173.78 1cr7 s GLU 121 N 1.27 3.07 -0.59 2.72 -1.05 -0.35 -0.70 118.70 123.07 1cr7 s GLU 121 Ca 0.02 -0.57 0.04 0.00 -0.15 0.00 0.00 54.97 54.31 1cr7 s GLU 121 Cb -0.15 -2.84 0.15 0.00 -0.44 0.00 0.00 34.13 30.85 1cr7 s GLU 121 CO -0.11 0.60 0.37 -0.06 0.95 0.00 0.00 175.26 177.01 1cr7 s PHE 122 N -1.37 3.16 -0.23 4.83 0.40 0.51 -2.11 117.98 123.17 1cr7 s PHE 122 Ca 0.29 -3.15 -0.22 0.00 -0.60 0.00 0.00 56.93 53.25 1cr7 s PHE 122 Cb -0.12 -2.61 -0.02 0.00 0.51 0.00 0.00 43.02 40.78 1cr7 s PHE 122 CO 0.21 -0.66 0.69 0.34 0.70 0.00 0.00 175.22 176.50 1cr7 s ASP 123 N -0.74 6.70 0.00 1.36 3.68 -0.74 -1.41 116.67 125.51 1cr7 s ASP 123 Ca 0.21 0.86 0.10 0.00 2.13 0.00 0.00 52.55 55.84 1cr7 s ASP 123 Cb -0.15 -2.37 0.26 0.00 -1.45 0.00 0.00 42.92 39.21 1cr7 s ASP 123 CO -0.08 -0.38 1.20 0.35 0.13 0.00 0.00 175.17 176.39 1cr7 n THR 124 N 5.03 0.92 -3.75 1.71 -2.24 -0.91 -1.71 114.28 113.32 1cr7 n THR 124 Ca 0.01 -0.96 -0.15 0.00 -2.27 0.00 0.00 64.05 60.68 1cr7 n THR 124 Cb 0.49 0.56 -0.15 0.00 -2.10 0.00 0.00 70.33 69.12 1cr7 n THR 124 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1cr7 s TYR 125 N -0.99 -0.06 -0.67 4.78 5.04 -1.24 -4.75 117.35 119.46 1cr7 s TYR 125 Ca 0.20 0.31 -0.25 0.00 -2.44 0.00 0.00 57.07 54.89 1cr7 s TYR 125 Cb 0.11 -0.18 0.04 0.00 0.35 0.00 0.00 41.96 42.28 1cr7 s TYR 125 CO 0.14 -0.13 1.13 0.45 -1.34 0.00 0.00 175.55 175.80 1cr7 s SER 126 N 1.20 6.23 -0.47 4.32 0.15 -1.26 -4.99 113.70 118.88 1cr7 s SER 126 Ca -0.08 -0.52 -0.19 0.00 0.70 0.00 0.00 55.95 55.86 1cr7 s SER 126 Cb -0.12 -2.50 0.04 0.00 -1.71 0.00 0.00 66.02 61.73 1cr7 s SER 126 CO -0.04 -1.59 0.58 0.20 1.20 0.00 0.00 173.24 173.59 1cr7 s ASN 127 N 3.49 6.24 0.53 5.45 -0.87 -1.26 -4.93 114.94 123.60 1cr7 s ASN 127 Ca 0.32 -0.70 0.28 0.00 -1.57 0.00 0.00 52.86 51.19 1cr7 s ASN 127 Cb -0.11 -2.28 1.48 0.00 -0.02 0.00 0.00 41.25 40.32 1cr7 s ASN 127 CO 0.16 -0.78 2.08 0.77 -2.57 0.00 0.00 177.10 176.76 1cr7 h SER 128 N 8.90 0.00 0.91 -1.22 4.64 -1.94 -1.75 113.55 123.08 1cr7 h SER 128 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1cr7 h SER 128 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1cr7 h SER 128 CO 0.90 0.11 0.00 1.05 -0.87 0.00 0.00 176.83 178.02 1cr7 h GLU 129 N 0.00 0.00 -0.12 4.77 9.09 -1.97 -2.58 114.58 123.77 1cr7 h GLU 129 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1cr7 h GLU 129 Cb 0.32 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.42 1cr7 h GLU 129 CO 0.01 0.00 0.00 0.66 0.05 0.00 0.00 179.01 179.73 1cr7 n TYR 130 N -2.64 0.37 -3.10 2.06 0.53 -0.73 -4.98 117.16 108.67 1cr7 n TYR 130 Ca 0.02 -0.85 -0.23 0.00 -1.02 0.00 0.00 57.90 55.81 1cr7 n TYR 130 Cb 0.27 -0.18 0.04 0.00 -1.03 0.00 0.00 39.34 38.44 1cr7 n TYR 130 CO 0.00 0.00 0.00 0.09 -1.02 0.00 0.00 176.86 175.93 1cr7 n ASN 131 N -0.83 -6.03 -4.76 7.72 3.02 -0.97 -4.20 115.26 109.21 1cr7 n ASN 131 Ca 0.16 -0.32 -0.38 0.00 -0.03 0.00 0.00 54.58 54.00 1cr7 n ASN 131 Cb 0.66 -4.86 0.01 0.00 -0.61 0.00 0.00 39.78 34.98 1cr7 n ASN 131 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1cr7 s ASP 132 N -2.77 5.98 0.80 6.41 1.01 -0.79 -4.91 116.67 122.41 1cr7 s ASP 132 Ca 0.34 2.54 -0.11 0.00 0.71 0.00 0.00 52.55 56.03 1cr7 s ASP 132 Cb -0.15 -2.62 0.07 0.00 1.01 0.00 0.00 42.92 41.23 1cr7 s ASP 132 CO 0.42 -1.06 1.10 -2.84 0.21 0.00 0.00 175.17 172.99 1cr7 s PRO 133 N -2.60 2.03 0.00 8.23 0.02 -1.26 -4.79 135.00 136.63 1cr7 s PRO 133 Ca 0.63 1.16 0.15 0.00 0.02 0.00 0.00 61.00 62.97 1cr7 s PRO 133 Cb -0.35 -1.87 0.90 0.00 0.02 0.00 0.00 34.50 33.20 1cr7 s PRO 133 CO 0.43 -1.80 1.35 -0.35 -0.33 0.00 0.00 177.00 176.30 1cr7 n PRO 134 N -3.63 0.45 -4.48 5.54 -0.04 -1.26 -4.69 135.00 126.89 1cr7 n PRO 134 Ca 0.09 0.02 -0.23 0.00 -0.04 0.00 0.00 63.50 63.34 1cr7 n PRO 134 Cb 0.53 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.40 1cr7 n PRO 134 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1cr7 s THR 135 N -2.08 0.84 0.79 0.52 -4.23 -1.26 -4.92 115.64 105.30 1cr7 s THR 135 Ca 0.22 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.59 1cr7 s THR 135 Cb 0.11 -2.54 0.07 0.00 1.34 0.00 0.00 72.50 71.47 1cr7 s THR 135 CO 0.19 0.00 1.21 -1.81 -0.54 0.00 0.00 174.62 173.67 1cr7 s ASP 136 N -3.54 3.73 0.21 3.99 -0.00 -1.25 -4.83 116.67 114.97 1cr7 s ASP 136 Ca 0.30 2.38 -0.23 0.00 -0.00 0.00 0.00 52.55 55.00 1cr7 s ASP 136 Cb 0.05 -2.59 0.05 0.00 -0.00 0.00 0.00 42.92 40.43 1cr7 s ASP 136 CO 0.15 -2.58 0.86 -1.38 -0.00 0.00 0.00 175.17 172.22 1cr7 s HIS 137 N -2.08 -0.14 -0.05 4.23 -3.43 -0.69 -2.07 115.29 111.06 1cr7 s HIS 137 Ca 0.74 -0.24 0.05 0.00 -0.80 0.00 0.00 55.06 54.81 1cr7 s HIS 137 Cb -0.29 0.68 -0.02 0.00 -1.43 0.00 0.00 32.58 31.51 1cr7 s HIS 137 CO 0.49 -1.02 -0.21 0.08 -2.00 0.00 0.00 174.74 172.08 1cr7 s VAL 138 N -3.49 2.43 0.06 -5.38 1.01 -0.54 -1.80 120.40 112.69 1cr7 s VAL 138 Ca 0.12 -0.95 -0.07 0.00 0.00 0.00 0.00 61.98 61.08 1cr7 s VAL 138 Cb -0.03 -1.90 -0.01 0.00 0.00 0.00 0.00 36.38 34.43 1cr7 s VAL 138 CO 0.05 0.58 0.14 -0.83 0.00 0.00 0.00 175.10 175.03 1cr7 s GLY 139 N -0.42 0.15 -0.22 4.51 0.00 -0.90 -0.58 107.32 109.87 1cr7 s GLY 139 Ca 0.04 -0.61 -0.09 0.00 0.00 0.00 0.00 44.72 44.06 1cr7 s GLY 139 CO 0.02 -0.78 0.11 -0.42 0.00 0.00 0.00 173.10 172.02 1cr7 s ILE 140 N -3.34 4.98 -0.17 0.90 -1.09 -0.11 -1.21 121.20 121.16 1cr7 s ILE 140 Ca 0.01 0.04 -0.01 0.00 -2.23 0.00 0.00 60.65 58.46 1cr7 s ILE 140 Cb 0.03 -3.29 -0.01 0.00 -1.58 0.00 0.00 42.46 37.61 1cr7 s ILE 140 CO -0.08 0.39 -0.11 -1.81 -1.23 0.00 0.00 174.94 172.10 1cr7 s ASP 141 N 0.85 3.97 -0.34 3.58 -0.00 0.79 -0.63 116.67 124.89 1cr7 s ASP 141 Ca 0.05 -0.40 0.03 0.00 -0.00 0.00 0.00 52.55 52.24 1cr7 s ASP 141 Cb -0.13 -1.63 0.10 0.00 -0.00 0.00 0.00 42.92 41.26 1cr7 s ASP 141 CO 0.03 0.08 0.06 -0.69 -0.00 0.00 0.00 175.17 174.65 1cr7 s VAL 142 N 0.85 2.02 -1.30 -1.27 1.01 -1.26 -0.52 120.40 119.93 1cr7 s VAL 142 Ca -0.03 -2.18 0.00 0.00 0.00 0.00 0.00 61.98 59.76 1cr7 s VAL 142 Cb -0.15 -2.50 0.00 0.00 0.00 0.00 0.00 36.38 33.73 1cr7 s VAL 142 CO 0.00 -0.62 0.00 0.59 0.00 0.00 0.00 175.10 175.08 1cr7 n ASN 143 N 4.35 -5.42 -3.57 3.32 5.03 0.43 -4.94 115.26 114.46 1cr7 n ASN 143 Ca 0.03 0.30 -0.10 0.00 0.87 0.00 0.00 54.58 55.68 1cr7 n ASN 143 Cb 0.42 -4.01 -0.05 0.00 -1.02 0.00 0.00 39.78 35.13 1cr7 n ASN 143 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1cr7 s SER 144 N -2.52 -0.38 0.00 6.41 0.15 -1.26 -1.97 113.70 114.13 1cr7 s SER 144 Ca 0.00 0.36 0.25 0.00 0.70 0.00 0.00 55.95 57.26 1cr7 s SER 144 Cb 0.00 0.32 1.18 0.00 -1.71 0.00 0.00 66.02 65.81 1cr7 s SER 144 CO 0.00 -0.38 1.80 1.33 1.20 0.00 0.00 173.24 177.18 1cr7 n VAL 145 N 0.61 0.06 -2.94 4.45 0.24 -0.08 -4.33 118.33 116.33 1cr7 n VAL 145 Ca -0.10 -0.17 -0.44 0.00 -2.04 0.00 0.00 64.34 61.59 1cr7 n VAL 145 Cb 0.58 0.08 -0.02 0.00 -1.47 0.00 0.00 33.84 33.01 1cr7 n VAL 145 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1cr7 s ASP 146 N -1.80 6.73 0.19 -1.34 3.68 -1.26 -4.93 116.67 117.95 1cr7 s ASP 146 Ca 0.37 -2.27 -0.29 0.00 2.13 0.00 0.00 52.55 52.48 1cr7 s ASP 146 Cb 0.19 -2.39 -0.17 0.00 -1.45 0.00 0.00 42.92 39.09 1cr7 s ASP 146 CO 0.30 -0.98 0.64 -1.20 0.13 0.00 0.00 175.17 174.06 1cr7 n SER 147 N 6.28 -0.78 0.17 -0.34 7.64 -1.26 -4.87 113.62 120.45 1cr7 n SER 147 Ca 0.27 1.14 0.03 0.00 1.01 0.00 0.00 58.87 61.31 1cr7 n SER 147 Cb 0.48 -0.99 0.26 0.00 -1.01 0.00 0.00 64.21 62.95 1cr7 n SER 147 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1cr7 h VAL 148 N 1.32 1.10 -1.86 0.44 2.07 -1.20 -3.46 116.25 114.67 1cr7 h VAL 148 Ca -0.32 -1.77 -0.01 0.00 0.82 0.00 0.00 66.70 65.43 1cr7 h VAL 148 Cb 1.42 2.02 -0.22 0.00 -1.52 0.00 0.00 31.29 33.00 1cr7 h VAL 148 CO 0.58 0.46 0.27 -0.75 0.02 0.00 0.00 177.57 178.16 1cr7 s LYS 149 N -3.60 0.81 0.05 1.57 2.20 -1.23 -5.00 119.74 114.54 1cr7 s LYS 149 Ca -0.00 0.58 -0.02 0.00 -0.36 0.00 0.00 55.97 56.16 1cr7 s LYS 149 Cb 0.12 0.39 -0.03 0.00 -1.51 0.00 0.00 37.83 36.79 1cr7 s LYS 149 CO 0.72 -0.17 0.00 0.95 -0.36 0.00 0.00 175.35 176.49 1cr7 s THR 150 N -0.34 0.19 -0.01 3.43 -4.23 -1.26 -0.93 115.64 112.49 1cr7 s THR 150 Ca -0.03 -1.57 0.01 0.00 -1.18 0.00 0.00 61.69 58.92 1cr7 s THR 150 Cb -0.03 -1.29 0.01 0.00 1.34 0.00 0.00 72.50 72.53 1cr7 s THR 150 CO 0.02 -0.87 -0.03 0.54 -0.54 0.00 0.00 174.62 173.74 1cr7 s VAL 151 N -3.49 0.32 0.30 2.29 0.11 0.25 -4.97 120.40 115.21 1cr7 s VAL 151 Ca 0.03 -0.11 -0.30 0.00 -2.93 0.00 0.00 61.98 58.67 1cr7 s VAL 151 Cb 0.05 -0.31 -0.12 0.00 -1.53 0.00 0.00 36.38 34.46 1cr7 s VAL 151 CO -0.09 0.12 1.43 -2.65 -3.33 0.00 0.00 175.10 170.59 1cr7 n PRO 152 N 3.36 2.32 -4.00 1.54 -0.02 -1.26 -1.47 135.00 135.47 1cr7 n PRO 152 Ca -0.18 0.82 -0.10 0.00 -2.02 0.00 0.00 63.50 62.03 1cr7 n PRO 152 Cb 0.56 -2.50 -0.07 0.00 -0.02 0.00 0.00 33.50 31.47 1cr7 n PRO 152 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 1cr7 s TRP 153 N -0.47 0.49 -0.08 6.00 -0.00 -0.88 -4.79 118.94 119.20 1cr7 s TRP 153 Ca 0.61 -0.83 -0.01 0.00 -0.00 0.00 0.00 56.10 55.88 1cr7 s TRP 153 Cb -0.56 -0.03 0.03 0.00 -0.00 0.00 0.00 33.47 32.90 1cr7 s TRP 153 CO 0.55 -0.81 -0.02 1.21 -0.00 0.00 0.00 176.95 177.88 1cr7 s ASN 154 N -3.01 1.74 -0.12 5.86 2.47 -1.26 -3.86 114.94 116.75 1cr7 s ASN 154 Ca 0.22 -0.14 -0.23 0.00 0.42 0.00 0.00 52.86 53.13 1cr7 s ASN 154 Cb 0.02 -0.54 -0.03 0.00 -1.45 0.00 0.00 41.25 39.25 1cr7 s ASN 154 CO 0.05 -0.17 0.69 -0.55 -3.72 0.00 0.00 177.10 173.40 1cr7 s SER 155 N 1.90 6.89 -0.27 -4.21 0.15 -1.26 -5.03 113.70 111.87 1cr7 s SER 155 Ca 0.05 1.08 -0.02 0.00 0.70 0.00 0.00 55.95 57.76 1cr7 s SER 155 Cb -0.12 -2.40 0.03 0.00 -1.71 0.00 0.00 66.02 61.83 1cr7 s SER 155 CO -0.06 -0.19 -0.03 -0.69 1.20 0.00 0.00 173.24 173.47 1cr7 s VAL 156 N 1.27 2.98 0.05 4.45 1.01 -1.26 -5.08 120.40 123.82 1cr7 s VAL 156 Ca 0.35 -1.15 -0.36 0.00 0.00 0.00 0.00 61.98 60.82 1cr7 s VAL 156 Cb -0.17 -2.60 -0.15 0.00 0.00 0.00 0.00 36.38 33.46 1cr7 s VAL 156 CO 0.15 0.07 1.53 -0.24 0.00 0.00 0.00 175.10 176.60 1cr7 n SER 157 N 4.66 2.40 0.00 3.32 2.88 -1.26 -1.61 113.62 124.01 1cr7 n SER 157 Ca -0.15 1.09 0.00 0.00 -1.33 0.00 0.00 58.87 58.48 1cr7 n SER 157 Cb 0.46 -1.28 0.00 0.00 -0.75 0.00 0.00 64.21 62.64 1cr7 n SER 157 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1cr7 n GLY 158 N 3.22 2.88 3.75 0.46 0.00 0.06 -4.94 105.19 110.62 1cr7 n GLY 158 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1cr7 n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cr7 s ALA 159 N -1.88 3.42 -0.13 4.61 0.00 -0.63 -4.91 121.76 122.23 1cr7 s ALA 159 Ca 0.00 0.92 -0.26 0.00 0.00 0.00 0.00 51.96 52.62 1cr7 s ALA 159 Cb 0.00 -3.38 -0.02 0.00 0.00 0.00 0.00 23.12 19.72 1cr7 s ALA 159 CO 0.00 -0.28 0.83 0.08 0.00 0.00 0.00 175.76 176.39 1cr7 s VAL 160 N -0.48 4.91 -0.09 0.00 1.01 -1.26 -4.32 120.40 120.16 1cr7 s VAL 160 Ca 0.49 1.66 -0.02 0.00 0.00 0.00 0.00 61.98 64.11 1cr7 s VAL 160 Cb -0.32 -4.14 -0.03 0.00 0.00 0.00 0.00 36.38 31.88 1cr7 s VAL 160 CO 0.38 0.09 -0.02 -0.69 0.00 0.00 0.00 175.10 174.86 1cr7 s VAL 161 N 1.73 4.14 -0.12 2.92 1.01 -0.46 -4.20 120.40 125.43 1cr7 s VAL 161 Ca 0.40 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 62.09 1cr7 s VAL 161 Cb -0.17 -2.74 -0.01 0.00 0.00 0.00 0.00 36.38 33.46 1cr7 s VAL 161 CO 0.16 0.59 -0.17 -0.54 0.00 0.00 0.00 175.10 175.13 1cr7 s LYS 162 N -0.70 3.26 -0.02 2.72 1.02 -0.92 -2.31 119.74 122.79 1cr7 s LYS 162 Ca 0.11 -0.76 0.07 0.00 0.02 0.00 0.00 55.97 55.41 1cr7 s LYS 162 Cb -0.12 -2.52 -0.02 0.00 -0.52 0.00 0.00 37.83 34.66 1cr7 s LYS 162 CO 0.02 0.18 -0.22 0.08 -0.92 0.00 0.00 175.35 174.49 1cr7 s VAL 163 N 0.39 1.73 -0.10 3.17 1.01 -0.12 0.28 120.40 126.76 1cr7 s VAL 163 Ca -0.13 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 60.93 1cr7 s VAL 163 Cb -0.17 -1.44 0.01 0.00 0.00 0.00 0.00 36.38 34.79 1cr7 s VAL 163 CO 0.06 0.49 -0.15 -0.89 0.00 0.00 0.00 175.10 174.61 1cr7 s THR 164 N -0.50 1.48 -0.05 3.92 2.01 -0.32 -1.66 115.64 120.51 1cr7 s THR 164 Ca 0.08 -0.64 0.06 0.00 0.31 0.00 0.00 61.69 61.49 1cr7 s THR 164 Cb -0.09 -1.35 -0.01 0.00 0.01 0.00 0.00 72.50 71.07 1cr7 s THR 164 CO -0.01 0.44 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.45 1cr7 s VAL 165 N 0.89 1.83 -0.07 3.82 1.01 0.12 -1.01 120.40 127.00 1cr7 s VAL 165 Ca -0.09 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 60.97 1cr7 s VAL 165 Cb -0.15 -1.55 0.01 0.00 0.00 0.00 0.00 36.38 34.69 1cr7 s VAL 165 CO -0.00 0.51 -0.11 -0.63 0.00 0.00 0.00 175.10 174.87 1cr7 s ILE 166 N -0.13 1.08 -0.21 2.22 1.01 -0.66 -0.94 121.20 123.56 1cr7 s ILE 166 Ca -0.03 -0.43 0.01 0.00 0.00 0.00 0.00 60.65 60.20 1cr7 s ILE 166 Cb -0.13 -1.00 0.03 0.00 0.01 0.00 0.00 42.46 41.37 1cr7 s ILE 166 CO 0.03 0.35 -0.15 -0.47 0.00 0.00 0.00 174.94 174.69 1cr7 s TYR 167 N 0.78 2.96 -0.41 3.97 5.04 -0.05 -0.65 117.35 129.00 1cr7 s TYR 167 Ca -0.13 -1.79 -0.16 0.00 -2.44 0.00 0.00 57.07 52.55 1cr7 s TYR 167 Cb -0.15 -1.95 0.02 0.00 0.35 0.00 0.00 41.96 40.22 1cr7 s TYR 167 CO 0.02 -0.81 0.39 0.34 -1.34 0.00 0.00 175.55 174.16 1cr7 s ASP 168 N 1.25 6.17 0.26 4.32 2.15 -0.16 -2.03 116.67 128.62 1cr7 s ASP 168 Ca 0.01 -0.67 -0.02 0.00 0.43 0.00 0.00 52.55 52.30 1cr7 s ASP 168 Cb -0.15 -2.20 0.49 0.00 -0.30 0.00 0.00 42.92 40.75 1cr7 s ASP 168 CO -0.09 -0.51 1.78 0.77 -0.17 0.00 0.00 175.17 176.94 1cr7 h SER 169 N 8.67 0.56 0.54 -0.34 4.64 -1.87 0.17 113.55 125.92 1cr7 h SER 169 Ca -0.27 0.08 -0.02 0.00 -0.47 0.00 0.00 61.79 61.11 1cr7 h SER 169 Cb 1.12 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 63.18 1cr7 h SER 169 CO 0.76 0.27 -0.43 0.77 -0.87 0.00 0.00 176.83 177.33 1cr7 h SER 170 N 0.66 -1.13 0.89 4.97 4.64 -1.93 -2.85 113.55 118.81 1cr7 h SER 170 Ca 0.44 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.84 1cr7 h SER 170 Cb 0.56 0.36 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1cr7 h SER 170 CO -0.33 -0.61 -0.20 0.35 -0.87 0.00 0.00 176.83 175.16 1cr7 n THR 171 N -5.53 0.10 -2.37 2.95 -2.24 -1.19 -4.91 114.28 101.08 1cr7 n THR 171 Ca -0.12 -0.06 -0.17 0.00 -2.27 0.00 0.00 64.05 61.43 1cr7 n THR 171 Cb 0.43 -0.25 -0.00 0.00 -2.10 0.00 0.00 70.33 68.40 1cr7 n THR 171 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1cr7 n LYS 172 N -1.64 -1.58 -3.51 -0.78 5.02 0.58 -4.88 118.16 111.37 1cr7 n LYS 172 Ca 0.06 0.82 -0.37 0.00 -2.02 0.00 0.00 58.31 56.79 1cr7 n LYS 172 Cb 0.36 -5.26 -0.06 0.00 -0.02 0.00 0.00 35.03 30.04 1cr7 n LYS 172 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1cr7 s THR 173 N -2.86 5.22 -0.25 -0.18 2.01 -1.05 -1.49 115.64 117.03 1cr7 s THR 173 Ca 0.02 0.69 -0.06 0.00 0.31 0.00 0.00 61.69 62.65 1cr7 s THR 173 Cb -0.01 -3.67 -0.01 0.00 0.01 0.00 0.00 72.50 68.82 1cr7 s THR 173 CO 0.03 0.46 0.02 -0.22 -0.69 0.00 0.00 174.62 174.21 1cr7 s LEU 174 N -0.11 3.30 -0.04 4.42 2.96 -0.58 -0.99 118.68 127.64 1cr7 s LEU 174 Ca 0.20 -0.43 0.06 0.00 -0.22 0.00 0.00 54.13 53.74 1cr7 s LEU 174 Cb -0.14 -1.83 -0.02 0.00 0.50 0.00 0.00 46.19 44.70 1cr7 s LEU 174 CO 0.08 -0.07 -0.22 -0.44 -1.32 0.00 0.00 176.35 174.38 1cr7 s SER 175 N 1.52 3.33 -0.04 3.68 0.01 0.18 -1.52 113.70 120.86 1cr7 s SER 175 Ca 0.05 -0.41 0.04 0.00 1.31 0.00 0.00 55.95 56.94 1cr7 s SER 175 Cb -0.15 -0.67 -0.00 0.00 0.21 0.00 0.00 66.02 65.41 1cr7 s SER 175 CO 0.00 0.30 -0.15 -0.69 0.41 0.00 0.00 173.24 173.11 1cr7 s VAL 176 N -0.46 1.23 -0.16 3.43 1.01 0.39 -1.66 120.40 124.18 1cr7 s VAL 176 Ca 0.05 -0.60 -0.00 0.00 0.00 0.00 0.00 61.98 61.43 1cr7 s VAL 176 Cb -0.12 -1.07 0.04 0.00 0.00 0.00 0.00 36.38 35.23 1cr7 s VAL 176 CO 0.01 0.36 -0.08 0.00 0.00 0.00 0.00 175.10 175.39 1cr7 s ALA 177 N 0.13 1.65 -0.29 5.51 0.00 -0.18 -2.04 121.76 126.54 1cr7 s ALA 177 Ca -0.05 -0.89 -0.08 0.00 0.00 0.00 0.00 51.96 50.94 1cr7 s ALA 177 Cb -0.11 -1.12 -0.01 0.00 0.00 0.00 0.00 23.12 21.88 1cr7 s ALA 177 CO 0.02 -0.68 0.11 0.08 0.00 0.00 0.00 175.76 175.29 1cr7 s VAL 178 N 1.56 4.33 -0.46 0.00 1.01 0.11 -1.18 120.40 125.79 1cr7 s VAL 178 Ca 0.01 -0.45 -0.18 0.00 0.00 0.00 0.00 61.98 61.37 1cr7 s VAL 178 Cb -0.15 -3.17 0.04 0.00 0.00 0.00 0.00 36.38 33.10 1cr7 s VAL 178 CO -0.08 0.14 0.50 -0.89 0.00 0.00 0.00 175.10 174.77 1cr7 s THR 179 N 1.58 5.03 0.78 3.92 2.01 0.14 -0.57 115.64 128.53 1cr7 s THR 179 Ca 0.04 -0.51 -0.11 0.00 0.31 0.00 0.00 61.69 61.42 1cr7 s THR 179 Cb -0.17 -4.15 0.06 0.00 0.01 0.00 0.00 72.50 68.25 1cr7 s THR 179 CO 0.04 -0.59 1.08 0.20 -0.69 0.00 0.00 174.62 174.66 1cr7 s ASN 180 N 2.27 4.58 0.26 3.53 -0.87 -0.29 -2.17 114.94 122.25 1cr7 s ASN 180 Ca 0.12 1.55 -0.01 0.00 -1.57 0.00 0.00 52.86 52.95 1cr7 s ASN 180 Cb -0.19 -2.31 0.54 0.00 -0.02 0.00 0.00 41.25 39.27 1cr7 s ASN 180 CO 0.12 -1.95 1.74 -0.78 -2.57 0.00 0.00 177.10 173.67 1cr7 h ASP 181 N -1.07 0.44 0.00 -1.22 3.58 -1.87 -1.12 116.42 115.16 1cr7 h ASP 181 Ca -0.46 0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.10 1cr7 h ASP 181 Cb 1.25 0.05 0.00 0.00 1.72 0.00 0.00 39.33 42.34 1cr7 h ASP 181 CO 0.56 0.16 0.00 -0.46 -2.88 0.00 0.00 179.24 176.62 1cr7 n ASN 182 N -4.93 0.00 0.00 2.28 2.04 -1.26 -4.90 115.26 108.49 1cr7 n ASN 182 Ca 0.17 -1.53 0.00 0.00 -0.44 0.00 0.00 54.58 52.78 1cr7 n ASN 182 Cb 0.46 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.71 1cr7 n ASN 182 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1cr7 n GLY 183 N 0.71 2.99 3.71 4.83 0.00 -0.42 -5.04 105.19 111.96 1cr7 n GLY 183 Ca 0.11 -0.18 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 1cr7 n GLY 183 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cr7 n ASP 184 N 0.26 2.44 -4.49 1.61 10.43 -1.26 -4.67 116.55 120.87 1cr7 n ASP 184 Ca 0.00 1.04 -0.30 0.00 2.57 0.00 0.00 54.79 58.10 1cr7 n ASP 184 Cb 0.00 -1.51 -0.12 0.00 1.84 0.00 0.00 41.12 41.33 1cr7 n ASP 184 CO 0.00 0.00 0.00 0.27 -1.07 0.00 0.00 177.20 176.40 1cr7 s ILE 185 N -1.26 2.90 -0.03 0.53 -4.36 -1.26 -1.14 121.20 116.59 1cr7 s ILE 185 Ca 0.65 -1.32 0.07 0.00 -0.26 0.00 0.00 60.65 59.79 1cr7 s ILE 185 Cb -0.47 -2.29 -0.01 0.00 1.25 0.00 0.00 42.46 40.94 1cr7 s ILE 185 CO 0.55 0.21 -0.24 -0.89 0.24 0.00 0.00 174.94 174.81 1cr7 s THR 186 N -1.05 1.93 0.18 8.37 2.01 0.26 -4.95 115.64 122.39 1cr7 s THR 186 Ca 0.17 -1.02 0.04 0.00 0.31 0.00 0.00 61.69 61.19 1cr7 s THR 186 Cb -0.11 -1.61 -0.05 0.00 0.01 0.00 0.00 72.50 70.74 1cr7 s THR 186 CO 0.08 0.54 -0.06 0.42 -0.69 0.00 0.00 174.62 174.92 1cr7 s THR 187 N -0.38 1.12 -0.28 -0.82 -4.23 -1.26 0.10 115.64 109.89 1cr7 s THR 187 Ca 0.04 -2.05 -0.24 0.00 -1.18 0.00 0.00 61.69 58.26 1cr7 s THR 187 Cb -0.11 -2.07 0.09 0.00 1.34 0.00 0.00 72.50 71.75 1cr7 s THR 187 CO 0.01 -0.56 0.82 -0.51 -0.54 0.00 0.00 174.62 173.84 1cr7 s ILE 188 N -3.36 0.00 0.02 2.99 2.07 -0.87 -4.95 121.20 117.11 1cr7 s ILE 188 Ca 0.22 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.47 1cr7 s ILE 188 Cb 0.04 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.61 1cr7 s ILE 188 CO 0.04 0.00 -0.05 0.00 -1.91 0.00 0.00 174.94 173.02 1cr7 s ALA 189 N 0.50 0.31 -0.19 1.50 0.00 -1.26 -0.46 121.76 122.16 1cr7 s ALA 189 Ca -0.00 -0.55 -0.15 0.00 0.00 0.00 0.00 51.96 51.25 1cr7 s ALA 189 Cb -0.05 0.07 0.05 0.00 0.00 0.00 0.00 23.12 23.19 1cr7 s ALA 189 CO -0.04 -0.06 0.48 -1.14 0.00 0.00 0.00 175.76 175.00 1cr7 s GLN 190 N -1.20 0.54 -0.28 0.00 2.00 -0.58 -5.00 119.66 115.14 1cr7 s GLN 190 Ca -0.10 0.73 -0.26 0.00 -2.00 0.00 0.00 55.36 53.73 1cr7 s GLN 190 Cb -0.08 0.21 0.01 0.00 0.80 0.00 0.00 33.01 33.94 1cr7 s GLN 190 CO -0.00 -0.09 0.93 0.08 -0.50 0.00 0.00 175.29 175.70 1cr7 s VAL 191 N 0.56 4.70 -0.08 1.34 1.01 -1.26 -1.52 120.40 125.16 1cr7 s VAL 191 Ca -0.02 1.60 0.01 0.00 0.00 0.00 0.00 61.98 63.56 1cr7 s VAL 191 Cb -0.04 -4.25 0.02 0.00 0.00 0.00 0.00 36.38 32.11 1cr7 s VAL 191 CO -0.03 -0.26 -0.09 -0.69 0.00 0.00 0.00 175.10 174.03 1cr7 s VAL 192 N 3.17 0.94 -0.73 2.92 1.01 -0.55 -4.99 120.40 122.17 1cr7 s VAL 192 Ca 0.39 -0.32 -0.21 0.00 0.00 0.00 0.00 61.98 61.84 1cr7 s VAL 192 Cb -0.14 -0.92 0.10 0.00 0.00 0.00 0.00 36.38 35.42 1cr7 s VAL 192 CO 0.11 0.33 0.95 -0.62 0.00 0.00 0.00 175.10 175.87 1cr7 s ASP 193 N 1.09 6.32 0.45 3.32 3.68 -1.26 -4.70 116.67 125.57 1cr7 s ASP 193 Ca -0.07 -1.42 0.10 0.00 2.13 0.00 0.00 52.55 53.30 1cr7 s ASP 193 Cb -0.14 -2.38 1.01 0.00 -1.45 0.00 0.00 42.92 39.95 1cr7 s ASP 193 CO -0.01 -1.25 2.09 -0.07 0.13 0.00 0.00 175.17 176.05 1cr7 h LEU 194 N 10.73 0.31 -0.48 -1.34 3.38 -1.96 -1.72 115.31 124.23 1cr7 h LEU 194 Ca -0.15 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1cr7 h LEU 194 Cb 1.06 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1cr7 h LEU 194 CO 1.14 0.22 0.00 1.17 0.09 0.00 0.00 178.44 181.06 1cr7 n LYS 195 N -4.49 0.17 -0.00 1.13 4.81 -1.26 -1.06 118.16 117.45 1cr7 n LYS 195 Ca 0.02 0.35 0.06 0.00 -0.87 0.00 0.00 58.31 57.87 1cr7 n LYS 195 Cb 0.09 -1.80 -0.07 0.00 0.02 0.00 0.00 35.03 33.27 1cr7 n LYS 195 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1cr7 n ALA 196 N -1.73 3.44 0.18 3.14 0.00 -0.69 -4.56 120.51 120.29 1cr7 n ALA 196 Ca 0.03 -0.34 0.04 0.00 0.00 0.00 0.00 53.44 53.17 1cr7 n ALA 196 Cb 0.25 -0.44 -0.06 0.00 0.00 0.00 0.00 19.45 19.21 1cr7 n ALA 196 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1cr7 n LYS 197 N -1.37 2.06 -4.12 0.00 4.76 -0.92 -5.05 118.16 113.53 1cr7 n LYS 197 Ca 0.02 -0.04 -0.09 0.00 -2.87 0.00 0.00 58.31 55.32 1cr7 n LYS 197 Cb 0.21 -1.07 -0.10 0.00 -1.84 0.00 0.00 35.03 32.23 1cr7 n LYS 197 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1cr7 s LEU 198 N -3.06 2.48 0.87 -0.35 1.43 -0.23 -4.89 118.68 114.94 1cr7 s LEU 198 Ca -0.00 -0.96 -0.12 0.00 -1.03 0.00 0.00 54.13 52.02 1cr7 s LEU 198 Cb 0.06 0.06 0.11 0.00 0.03 0.00 0.00 46.19 46.46 1cr7 s LEU 198 CO 0.36 -0.51 1.15 -2.16 0.23 0.00 0.00 176.35 175.42 1cr7 s PRO 199 N -3.66 1.47 0.31 1.29 0.04 -1.26 -4.63 135.00 128.56 1cr7 s PRO 199 Ca 0.07 0.23 0.07 0.00 0.04 0.00 0.00 61.00 61.41 1cr7 s PRO 199 Cb 0.05 -1.88 0.77 0.00 0.04 0.00 0.00 34.50 33.48 1cr7 s PRO 199 CO -0.07 -1.96 1.79 0.93 0.04 0.00 0.00 177.00 177.73 1cr7 h GLU 200 N -1.33 0.72 -5.21 4.56 5.08 -1.95 -3.40 114.58 113.05 1cr7 h GLU 200 Ca -0.49 -0.04 -0.66 0.00 -1.00 0.00 0.00 59.36 57.17 1cr7 h GLU 200 Cb 1.33 -0.16 -0.28 0.00 0.50 0.00 0.00 28.75 30.14 1cr7 h GLU 200 CO 0.63 0.48 -0.76 1.03 -1.00 0.00 0.00 179.01 179.39 1cr7 s ARG 201 N -5.81 3.36 0.39 2.33 0.52 -1.26 -0.96 118.95 117.51 1cr7 s ARG 201 Ca -0.11 -0.68 0.03 0.00 -0.52 0.00 0.00 55.73 54.46 1cr7 s ARG 201 Cb 0.25 -2.73 -0.01 0.00 0.52 0.00 0.00 34.95 32.97 1cr7 s ARG 201 CO 0.80 0.07 0.12 1.33 0.02 0.00 0.00 175.30 177.64 1cr7 n VAL 202 N 3.95 0.00 -4.15 3.52 0.24 -0.55 -3.71 118.33 117.63 1cr7 n VAL 202 Ca -0.18 -2.24 -0.17 0.00 -2.04 0.00 0.00 64.34 59.71 1cr7 n VAL 202 Cb 0.52 0.76 -0.15 0.00 -1.47 0.00 0.00 33.84 33.51 1cr7 n VAL 202 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1cr7 s LYS 203 N -3.49 0.47 0.02 7.34 1.02 -0.11 -0.93 119.74 124.06 1cr7 s LYS 203 Ca 0.17 -0.16 0.01 0.00 0.02 0.00 0.00 55.97 56.01 1cr7 s LYS 203 Cb 0.01 -0.48 -0.04 0.00 -0.52 0.00 0.00 37.83 36.80 1cr7 s LYS 203 CO 0.12 0.07 0.07 -0.06 -0.92 0.00 0.00 175.35 174.64 1cr7 s PHE 204 N 0.09 3.25 0.04 3.18 0.40 -1.26 -1.87 117.98 121.81 1cr7 s PHE 204 Ca -0.01 0.16 -0.13 0.00 -0.60 0.00 0.00 56.93 56.36 1cr7 s PHE 204 Cb -0.05 -1.70 0.04 0.00 0.51 0.00 0.00 43.02 41.83 1cr7 s PHE 204 CO -0.00 0.54 0.61 0.41 0.70 0.00 0.00 175.22 177.47 1cr7 n GLY 205 N 1.02 0.68 3.16 4.36 0.00 -0.80 -1.25 105.19 112.36 1cr7 n GLY 205 Ca -0.12 -1.00 -0.22 0.00 0.00 0.00 0.00 46.02 44.68 1cr7 n GLY 205 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1cr7 s PHE 206 N -3.25 1.39 0.03 1.61 0.40 0.48 -1.54 117.98 117.10 1cr7 s PHE 206 Ca 0.14 -0.32 0.01 0.00 -0.60 0.00 0.00 56.93 56.16 1cr7 s PHE 206 Cb -0.01 -0.85 -0.02 0.00 0.51 0.00 0.00 43.02 42.65 1cr7 s PHE 206 CO 0.01 0.03 -0.05 0.45 0.70 0.00 0.00 175.22 176.36 1cr7 s SER 207 N -0.86 0.47 0.02 1.36 0.15 -0.42 -0.68 113.70 113.73 1cr7 s SER 207 Ca 0.04 -0.53 -0.10 0.00 0.70 0.00 0.00 55.95 56.07 1cr7 s SER 207 Cb -0.07 0.08 0.01 0.00 -1.71 0.00 0.00 66.02 64.32 1cr7 s SER 207 CO 0.01 -0.27 0.20 0.00 1.20 0.00 0.00 173.24 174.38 1cr7 s ALA 208 N -1.48 -0.44 0.13 5.45 0.00 -0.47 -0.76 121.76 124.19 1cr7 s ALA 208 Ca -0.13 -0.11 -0.09 0.00 0.00 0.00 0.00 51.96 51.62 1cr7 s ALA 208 Cb -0.10 0.19 -0.00 0.00 0.00 0.00 0.00 23.12 23.21 1cr7 s ALA 208 CO -0.01 -0.29 0.25 -1.54 0.00 0.00 0.00 175.76 174.17 1cr7 s SER 209 N -1.71 0.05 0.05 0.00 1.04 -1.24 -1.85 113.70 110.04 1cr7 s SER 209 Ca -0.10 -0.73 0.01 0.00 0.48 0.00 0.00 55.95 55.61 1cr7 s SER 209 Cb -0.04 0.40 -0.00 0.00 0.10 0.00 0.00 66.02 66.47 1cr7 s SER 209 CO -0.00 -0.82 0.03 0.61 0.98 0.00 0.00 173.24 174.04 1cr7 n GLY 210 N -0.15 3.92 0.00 7.32 0.00 -0.33 -0.60 105.19 115.34 1cr7 n GLY 210 Ca -0.11 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.14 1cr7 n GLY 210 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1cr7 n SER 211 N -2.57 0.00 -0.04 1.61 3.41 0.24 0.15 113.62 116.42 1cr7 n SER 211 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.49 1cr7 n SER 211 Cb 0.08 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.92 1cr7 n SER 211 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1cr7 h LEU 212 N 0.00 -0.02 -0.81 1.04 6.46 -1.92 -3.09 115.31 116.97 1cr7 h LEU 212 Ca 0.00 -0.76 0.00 0.00 -0.12 0.00 0.00 57.88 57.00 1cr7 h LEU 212 Cb 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 1cr7 h LEU 212 CO 0.00 0.79 -0.53 0.61 -0.62 0.00 0.00 178.44 178.69 1cr7 n GLY 213 N 1.21 -0.13 3.17 3.75 0.00 -1.26 -4.81 105.19 107.11 1cr7 n GLY 213 Ca -0.09 -0.60 -0.37 0.00 0.00 0.00 0.00 46.02 44.96 1cr7 n GLY 213 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1cr7 s GLY 214 N -2.44 1.95 -0.01 -0.02 0.00 -1.26 -0.82 107.32 104.71 1cr7 s GLY 214 Ca 0.16 -2.32 -0.04 0.00 0.00 0.00 0.00 44.72 42.52 1cr7 s GLY 214 CO 0.58 0.96 0.09 0.50 0.00 0.00 0.00 173.10 175.23 1cr7 s ARG 215 N 1.24 0.26 0.22 2.90 0.52 -0.31 -0.59 118.95 123.19 1cr7 s ARG 215 Ca 0.05 -0.17 -0.20 0.00 -0.52 0.00 0.00 55.73 54.89 1cr7 s ARG 215 Cb -0.22 0.11 0.04 0.00 0.52 0.00 0.00 34.95 35.39 1cr7 s ARG 215 CO -0.02 -0.05 0.61 1.14 0.02 0.00 0.00 175.30 177.00 1cr7 s GLN 216 N -0.67 1.50 0.03 3.54 -2.07 -1.19 -4.33 119.66 116.47 1cr7 s GLN 216 Ca -0.08 -0.81 -0.30 0.00 -1.82 0.00 0.00 55.36 52.36 1cr7 s GLN 216 Cb -0.05 0.57 -0.04 0.00 -1.09 0.00 0.00 33.01 32.40 1cr7 s GLN 216 CO 0.00 -0.66 0.97 0.42 -1.32 0.00 0.00 175.29 174.70 1cr7 s ILE 217 N -3.86 4.76 -0.21 3.63 1.01 -0.13 -4.86 121.20 121.53 1cr7 s ILE 217 Ca 0.08 2.05 0.01 0.00 0.00 0.00 0.00 60.65 62.78 1cr7 s ILE 217 Cb -0.03 -4.31 0.05 0.00 0.01 0.00 0.00 42.46 38.18 1cr7 s ILE 217 CO -0.02 0.21 -0.08 -1.00 0.00 0.00 0.00 174.94 174.06 1cr7 s HIS 218 N 0.68 2.40 -0.07 3.97 3.76 -1.26 -1.73 115.29 123.03 1cr7 s HIS 218 Ca 0.50 -1.66 0.05 0.00 -0.15 0.00 0.00 55.06 53.81 1cr7 s HIS 218 Cb -0.22 -1.60 -0.01 0.00 1.11 0.00 0.00 32.58 31.86 1cr7 s HIS 218 CO 0.28 -0.75 -0.25 -0.51 -0.85 0.00 0.00 174.74 172.66 1cr7 s LEU 219 N 1.40 2.09 -0.31 0.89 1.43 0.39 -1.30 118.68 123.27 1cr7 s LEU 219 Ca -0.03 -0.52 -0.09 0.00 -1.03 0.00 0.00 54.13 52.45 1cr7 s LEU 219 Cb -0.17 -1.39 -0.01 0.00 0.03 0.00 0.00 46.19 44.65 1cr7 s LEU 219 CO -0.07 0.22 0.14 -0.63 0.23 0.00 0.00 176.35 176.24 1cr7 s ILE 220 N -0.02 4.55 -0.10 -0.59 -1.09 0.27 -0.79 121.20 123.42 1cr7 s ILE 220 Ca -0.08 -0.41 -0.07 0.00 -2.23 0.00 0.00 60.65 57.85 1cr7 s ILE 220 Cb -0.15 -3.31 -0.27 0.00 -1.58 0.00 0.00 42.46 37.15 1cr7 s ILE 220 CO 0.05 0.09 0.44 0.03 -1.23 0.00 0.00 174.94 174.32 1cr7 h ARG 221 N 8.34 0.29 -3.04 2.79 3.08 -0.98 -2.29 114.38 122.56 1cr7 h ARG 221 Ca -0.32 -0.50 -0.02 0.00 0.07 0.00 0.00 59.98 59.20 1cr7 h ARG 221 Cb 1.15 0.19 -0.12 0.00 0.08 0.00 0.00 29.97 31.26 1cr7 h ARG 221 CO 0.61 1.23 0.18 -1.54 -1.07 0.00 0.00 179.97 179.39 1cr7 s SER 222 N -7.09 -0.53 -0.29 7.04 1.04 -1.18 -4.34 113.70 108.34 1cr7 s SER 222 Ca -0.21 -0.04 -0.12 0.00 0.48 0.00 0.00 55.95 56.07 1cr7 s SER 222 Cb 0.06 0.59 0.12 0.00 0.10 0.00 0.00 66.02 66.89 1cr7 s SER 222 CO 0.79 -0.96 0.66 0.86 0.98 0.00 0.00 173.24 175.57 1cr7 s TRP 223 N -3.76 -1.27 0.09 5.02 -0.00 0.20 -2.06 118.94 117.16 1cr7 s TRP 223 Ca 0.01 2.28 0.10 0.00 -0.00 0.00 0.00 56.10 58.49 1cr7 s TRP 223 Cb -0.01 0.76 -0.03 0.00 -0.00 0.00 0.00 33.47 34.19 1cr7 s TRP 223 CO -0.13 -0.63 -0.25 -1.54 -0.00 0.00 0.00 176.95 174.40 1cr7 s SER 224 N 2.54 3.06 -0.15 5.86 1.04 -0.19 0.16 113.70 126.02 1cr7 s SER 224 Ca -0.07 -0.66 -0.17 0.00 0.48 0.00 0.00 55.95 55.53 1cr7 s SER 224 Cb -0.10 -0.23 0.05 0.00 0.10 0.00 0.00 66.02 65.83 1cr7 s SER 224 CO -0.19 0.19 0.47 0.12 0.98 0.00 0.00 173.24 174.80 1cr7 s PHE 225 N -0.95 -0.49 -0.08 5.02 5.36 -0.07 -2.04 117.98 124.72 1cr7 s PHE 225 Ca 0.11 1.16 -0.04 0.00 -0.96 0.00 0.00 56.93 57.20 1cr7 s PHE 225 Cb -0.10 0.18 0.04 0.00 -0.34 0.00 0.00 43.02 42.81 1cr7 s PHE 225 CO 0.04 -0.29 0.18 0.99 -1.46 0.00 0.00 175.22 174.68 1cr7 s THR 226 N -0.00 -0.10 0.06 0.12 2.01 -0.43 -1.50 115.64 115.80 1cr7 s THR 226 Ca -0.02 0.20 0.07 0.00 0.31 0.00 0.00 61.69 62.25 1cr7 s THR 226 Cb -0.03 -0.30 -0.03 0.00 0.01 0.00 0.00 72.50 72.15 1cr7 s THR 226 CO 0.02 0.08 -0.19 -0.94 -0.69 0.00 0.00 174.62 172.89 1cr7 s SER 227 N 1.42 2.32 -0.05 3.53 1.04 0.16 -0.98 113.70 121.14 1cr7 s SER 227 Ca -0.07 -0.55 -0.02 0.00 0.48 0.00 0.00 55.95 55.79 1cr7 s SER 227 Cb -0.11 -0.17 0.04 0.00 0.10 0.00 0.00 66.02 65.87 1cr7 s SER 227 CO -0.07 0.11 0.10 -0.89 0.98 0.00 0.00 173.24 173.47 1cr7 s THR 228 N -0.90 -0.14 -0.16 2.02 2.01 -0.18 -1.33 115.64 116.96 1cr7 s THR 228 Ca 0.06 0.34 -0.01 0.00 0.31 0.00 0.00 61.69 62.39 1cr7 s THR 228 Cb -0.09 -0.19 -0.01 0.00 0.01 0.00 0.00 72.50 72.22 1cr7 s THR 228 CO 0.02 0.14 -0.12 -0.22 -0.69 0.00 0.00 174.62 173.75 1cr7 s LEU 229 N 1.87 2.68 0.34 4.42 2.96 -0.18 -1.75 118.68 129.02 1cr7 s LEU 229 Ca -0.00 -0.38 -0.27 0.00 -0.22 0.00 0.00 54.13 53.26 1cr7 s LEU 229 Cb -0.12 -1.62 -0.09 0.00 0.50 0.00 0.00 46.19 44.85 1cr7 s LEU 229 CO -0.04 0.10 1.10 -0.63 -1.32 0.00 0.00 176.35 175.56 1cr7 s ILE 230 N 0.72 3.48 -0.67 6.68 1.09 -1.26 -0.55 121.20 130.69 1cr7 s ILE 230 Ca -0.06 1.33 0.05 0.00 -1.10 0.00 0.00 60.65 60.88 1cr7 s ILE 230 Cb -0.15 -3.79 0.24 0.00 -1.06 0.00 0.00 42.46 37.70 1cr7 s ILE 230 CO 0.02 0.20 0.76 0.35 -0.10 0.00 0.00 174.94 176.17 1cr7 n THR 231 N 0.60 2.46 0.00 2.92 -2.24 -1.26 -4.89 114.28 111.86 1cr7 n THR 231 Ca 0.02 -5.23 0.00 0.00 -2.27 0.00 0.00 64.05 56.57 1cr7 n THR 231 Cb 0.46 -2.11 0.00 0.00 -2.10 0.00 0.00 70.33 66.58 1cr7 n THR 231 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57