#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 3.85 -0.12 0.00 2.12 -0.05 -4.88 118.70 119.62 1cr7 s GLU 2 Ca 0.00 0.18 0.01 0.00 0.36 0.00 0.00 54.97 55.52 1cr7 s GLU 2 Cb 0.00 -3.74 -0.01 0.00 0.26 0.00 0.00 34.13 30.64 1cr7 s GLU 2 CO 0.00 -0.56 -0.15 0.99 -0.54 0.00 0.00 175.26 175.00 1cr7 s THR 3 N 2.52 2.86 -0.14 -1.70 2.01 -1.26 -1.06 115.64 118.87 1cr7 s THR 3 Ca 0.23 -0.74 0.00 0.00 0.31 0.00 0.00 61.69 61.50 1cr7 s THR 3 Cb -0.15 -2.18 -0.01 0.00 0.01 0.00 0.00 72.50 70.17 1cr7 s THR 3 CO 0.12 0.54 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.75 1cr7 s VAL 4 N 0.25 2.83 -0.08 3.82 1.01 -0.79 -4.97 120.40 122.46 1cr7 s VAL 4 Ca -0.10 -0.73 -0.10 0.00 0.00 0.00 0.00 61.98 61.05 1cr7 s VAL 4 Cb -0.16 -2.19 0.02 0.00 0.00 0.00 0.00 36.38 34.06 1cr7 s VAL 4 CO 0.06 0.52 0.26 -0.94 0.00 0.00 0.00 175.10 174.99 1cr7 s SER 5 N 0.58 -0.24 0.27 3.32 1.04 -1.26 -0.97 113.70 116.43 1cr7 s SER 5 Ca -0.09 0.42 -0.12 0.00 0.48 0.00 0.00 55.95 56.64 1cr7 s SER 5 Cb -0.16 0.49 -0.00 0.00 0.10 0.00 0.00 66.02 66.45 1cr7 s SER 5 CO 0.03 -0.15 0.50 0.72 0.98 0.00 0.00 173.24 175.32 1cr7 s PHE 6 N -0.14 0.41 -0.30 5.02 -0.12 0.02 -4.98 117.98 117.89 1cr7 s PHE 6 Ca -0.03 -0.78 -0.10 0.00 -0.05 0.00 0.00 56.93 55.98 1cr7 s PHE 6 Cb -0.03 0.21 0.13 0.00 -0.63 0.00 0.00 43.02 42.70 1cr7 s PHE 6 CO 0.01 -1.04 0.64 1.21 -0.05 0.00 0.00 175.22 175.98 1cr7 s ASN 7 N -3.04 -1.12 -0.25 1.98 2.47 -1.26 -1.02 114.94 112.69 1cr7 s ASN 7 Ca 0.23 1.54 0.01 0.00 0.42 0.00 0.00 52.86 55.05 1cr7 s ASN 7 Cb -0.01 2.27 0.04 0.00 -1.45 0.00 0.00 41.25 42.10 1cr7 s ASN 7 CO 0.10 -0.22 -0.09 -0.36 -3.72 0.00 0.00 177.10 172.81 1cr7 s PHE 8 N 2.89 3.15 -0.37 0.43 0.40 0.90 -4.96 117.98 120.42 1cr7 s PHE 8 Ca -0.05 -1.96 0.23 0.00 -0.60 0.00 0.00 56.93 54.55 1cr7 s PHE 8 Cb -0.12 -1.99 0.06 0.00 0.51 0.00 0.00 43.02 41.48 1cr7 s PHE 8 CO -0.19 -0.82 1.06 0.09 0.70 0.00 0.00 175.22 176.07 1cr7 n ASN 9 N 4.55 0.73 -3.52 1.36 3.02 -1.26 -1.71 115.26 118.43 1cr7 n ASN 9 Ca -0.15 0.17 -0.11 0.00 -0.03 0.00 0.00 54.58 54.46 1cr7 n ASN 9 Cb 0.45 0.54 -0.03 0.00 -0.61 0.00 0.00 39.78 40.13 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 -4.83 -0.44 0.02 6.41 1.04 -1.26 -4.71 113.70 109.93 1cr7 s SER 10 Ca 0.01 -0.15 0.07 0.00 0.48 0.00 0.00 55.95 56.36 1cr7 s SER 10 Cb 0.11 0.57 -0.02 0.00 0.10 0.00 0.00 66.02 66.78 1cr7 s SER 10 CO 0.78 -0.95 -0.21 -0.36 0.98 0.00 0.00 173.24 173.48 1cr7 s PHE 11 N -3.78 1.83 -0.01 5.02 0.40 -0.11 -5.06 117.98 116.28 1cr7 s PHE 11 Ca 0.02 -0.36 0.03 0.00 -0.60 0.00 0.00 56.93 56.03 1cr7 s PHE 11 Cb -0.00 -1.13 -0.01 0.00 0.51 0.00 0.00 43.02 42.38 1cr7 s PHE 11 CO -0.11 0.03 -0.11 -1.54 0.70 0.00 0.00 175.22 174.19 1cr7 s SER 12 N -0.84 1.25 0.71 1.36 1.04 -1.26 -4.46 113.70 111.49 1cr7 s SER 12 Ca 0.08 -0.21 -0.16 0.00 0.48 0.00 0.00 55.95 56.14 1cr7 s SER 12 Cb -0.08 -0.13 0.03 0.00 0.10 0.00 0.00 66.02 65.93 1cr7 s SER 12 CO 0.01 0.12 1.23 -1.61 0.98 0.00 0.00 173.24 173.96 1cr7 s GLU 13 N -0.30 2.24 0.00 4.02 2.02 -1.26 -2.68 118.70 122.74 1cr7 s GLU 13 Ca 0.04 1.83 0.00 0.00 0.02 0.00 0.00 54.97 56.86 1cr7 s GLU 13 Cb -0.04 -1.84 0.00 0.00 0.10 0.00 0.00 34.13 32.35 1cr7 s GLU 13 CO -0.00 -1.77 0.00 0.41 0.02 0.00 0.00 175.26 173.91 1cr7 n GLY 14 N 0.52 2.53 3.61 -1.39 0.00 -1.26 -4.98 105.19 104.22 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 -1.96 5.98 0.00 1.61 3.04 -1.09 -4.80 114.94 117.71 1cr7 s ASN 15 Ca 0.00 1.60 0.00 0.00 0.04 0.00 0.00 52.86 54.50 1cr7 s ASN 15 Cb 0.00 -2.52 0.00 0.00 -1.54 0.00 0.00 41.25 37.19 1cr7 s ASN 15 CO 0.00 -1.59 0.88 -0.81 -3.04 0.00 0.00 177.10 172.54 1cr7 n PRO 16 N 8.23 0.00 0.04 0.43 -0.04 -1.26 -1.34 135.00 141.06 1cr7 n PRO 16 Ca 0.23 0.39 0.13 0.00 -0.04 0.00 0.00 63.50 64.20 1cr7 n PRO 16 Cb 0.46 -1.57 0.50 0.00 -0.04 0.00 0.00 33.50 32.85 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 -1.38 2.18 -3.51 0.55 0.00 -1.26 -4.67 120.51 112.42 1cr7 n ALA 17 Ca 0.00 -0.05 -0.24 0.00 0.00 0.00 0.00 53.44 53.15 1cr7 n ALA 17 Cb 0.07 -1.44 -0.17 0.00 0.00 0.00 0.00 19.45 17.92 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 -3.06 0.99 -0.24 0.00 1.01 -0.45 -0.99 121.20 118.46 1cr7 s ILE 18 Ca 0.11 -0.39 -0.11 0.00 0.00 0.00 0.00 60.65 60.26 1cr7 s ILE 18 Cb 0.15 -0.93 -0.05 0.00 0.01 0.00 0.00 42.46 41.64 1cr7 s ILE 18 CO 0.51 0.32 0.17 0.20 0.00 0.00 0.00 174.94 176.15 1cr7 s ASN 19 N 0.74 6.11 -0.12 3.58 0.02 -0.49 -4.83 114.94 119.95 1cr7 s ASN 19 Ca -0.13 0.11 -0.08 0.00 -1.02 0.00 0.00 52.86 51.73 1cr7 s ASN 19 Cb -0.15 -2.11 -0.04 0.00 0.02 0.00 0.00 41.25 38.96 1cr7 s ASN 19 CO 0.03 0.04 0.17 -0.36 0.02 0.00 0.00 177.10 177.00 1cr7 s PHE 20 N 1.17 3.59 -0.03 2.20 0.40 -1.26 -1.67 117.98 122.37 1cr7 s PHE 20 Ca 0.08 0.55 0.01 0.00 -0.60 0.00 0.00 56.93 56.97 1cr7 s PHE 20 Cb -0.14 -2.01 0.02 0.00 0.51 0.00 0.00 43.02 41.40 1cr7 s PHE 20 CO 0.05 0.67 -0.04 -0.65 0.70 0.00 0.00 175.22 175.95 1cr7 s GLN 21 N -0.84 0.67 3.63 0.44 -0.21 -0.76 -5.02 119.66 117.57 1cr7 s GLN 21 Ca 0.15 -0.11 0.00 0.00 0.02 0.00 0.00 55.36 55.42 1cr7 s GLN 21 Cb -0.12 -0.69 0.00 0.00 1.00 0.00 0.00 33.01 33.19 1cr7 s GLN 21 CO 0.04 -0.03 0.00 0.41 -2.12 0.00 0.00 175.29 173.59 1cr7 n GLY 22 N 3.75 0.18 0.75 3.09 0.00 -1.26 -1.10 105.19 110.59 1cr7 n GLY 22 Ca -0.23 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 44.83 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 1.81 1.81 -4.77 1.61 10.43 0.13 -4.92 116.55 122.65 1cr7 n ASP 23 Ca 0.00 -1.81 -0.36 0.00 2.57 0.00 0.00 54.79 55.19 1cr7 n ASP 23 Cb 0.00 -0.45 0.01 0.00 1.84 0.00 0.00 41.12 42.52 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 -0.45 2.97 -0.24 2.53 1.01 -1.25 -4.28 120.40 120.68 1cr7 s VAL 24 Ca 0.00 0.63 -0.22 0.00 0.00 0.00 0.00 61.98 62.39 1cr7 s VAL 24 Cb 0.00 -3.27 0.06 0.00 0.00 0.00 0.00 36.38 33.17 1cr7 s VAL 24 CO 0.00 -0.10 0.65 0.28 0.00 0.00 0.00 175.10 175.92 1cr7 s THR 25 N -1.66 -0.00 -0.20 3.92 -1.32 -0.50 -5.01 115.64 110.87 1cr7 s THR 25 Ca 0.72 0.00 -0.10 0.00 -1.21 0.00 0.00 61.69 61.10 1cr7 s THR 25 Cb -0.27 -0.90 -0.05 0.00 -1.51 0.00 0.00 72.50 69.77 1cr7 s THR 25 CO 0.31 0.00 0.15 -0.69 -2.21 0.00 0.00 174.62 172.18 1cr7 s VAL 26 N 0.44 5.39 0.80 5.08 1.01 -1.26 0.41 120.40 132.27 1cr7 s VAL 26 Ca -0.01 0.22 -0.12 0.00 0.00 0.00 0.00 61.98 62.07 1cr7 s VAL 26 Cb -0.05 -3.49 0.07 0.00 0.00 0.00 0.00 36.38 32.92 1cr7 s VAL 26 CO -0.01 0.42 1.16 -0.76 0.00 0.00 0.00 175.10 175.91 1cr7 s LEU 27 N 0.49 2.52 0.31 3.92 1.43 0.67 -4.95 118.68 123.07 1cr7 s LEU 27 Ca 0.09 0.87 0.24 0.00 -1.03 0.00 0.00 54.13 54.30 1cr7 s LEU 27 Cb -0.12 -3.40 1.09 0.00 0.03 0.00 0.00 46.19 43.79 1cr7 s LEU 27 CO -0.00 -1.88 1.74 0.77 0.23 0.00 0.00 176.35 177.20 1cr7 h SER 28 N -1.04 0.00 -0.17 2.29 4.64 -1.98 -2.29 113.55 115.00 1cr7 h SER 28 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1cr7 h SER 28 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1cr7 h SER 28 CO 0.65 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.15 1cr7 n ASN 29 N -2.33 2.26 0.00 4.97 2.04 -1.26 -4.93 115.26 116.01 1cr7 n ASN 29 Ca 0.01 -1.78 0.00 0.00 -0.44 0.00 0.00 54.58 52.37 1cr7 n ASN 29 Cb 0.19 -0.11 0.00 0.00 -2.53 0.00 0.00 39.78 37.33 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 1.26 0.75 3.83 4.83 0.00 -0.86 -4.90 105.19 110.10 1cr7 n GLY 30 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.53 6.93 -0.23 1.61 0.02 -1.26 -0.93 114.94 118.55 1cr7 s ASN 31 Ca 0.00 1.26 -0.16 0.00 -1.02 0.00 0.00 52.86 52.94 1cr7 s ASN 31 Cb 0.00 -2.36 -0.03 0.00 0.02 0.00 0.00 41.25 38.87 1cr7 s ASN 31 CO 0.00 0.02 0.44 -0.63 0.02 0.00 0.00 177.10 176.95 1cr7 s ILE 32 N -1.57 5.15 -0.23 0.60 1.01 -0.87 -0.24 121.20 125.06 1cr7 s ILE 32 Ca 0.43 0.76 -0.14 0.00 0.00 0.00 0.00 60.65 61.69 1cr7 s ILE 32 Cb -0.15 -3.76 -0.04 0.00 0.01 0.00 0.00 42.46 38.52 1cr7 s ILE 32 CO 0.20 0.18 0.32 -1.58 0.00 0.00 0.00 174.94 174.06 1cr7 s GLN 33 N 1.73 4.11 0.05 2.79 0.74 0.16 -1.26 119.66 127.99 1cr7 s GLN 33 Ca 0.19 0.02 0.02 0.00 0.05 0.00 0.00 55.36 55.65 1cr7 s GLN 33 Cb -0.15 -3.56 -0.25 0.00 1.10 0.00 0.00 33.01 30.14 1cr7 s GLN 33 CO 0.09 -0.06 1.03 -0.07 -0.55 0.00 0.00 175.29 175.73 1cr7 h LEU 34 N 7.80 0.21 -9.62 3.68 3.38 -1.56 -1.31 115.31 117.89 1cr7 h LEU 34 Ca -0.36 -0.27 -0.61 0.00 0.09 0.00 0.00 57.88 56.73 1cr7 h LEU 34 Cb 1.17 -0.07 -0.12 0.00 0.09 0.00 0.00 40.66 41.72 1cr7 h LEU 34 CO 0.68 1.22 -0.61 0.42 0.09 0.00 0.00 178.44 180.24 1cr7 s THR 35 N -2.65 2.17 -0.20 0.22 -4.23 -1.26 -3.00 115.64 106.68 1cr7 s THR 35 Ca -0.04 -2.02 -0.05 0.00 -1.18 0.00 0.00 61.69 58.40 1cr7 s THR 35 Cb 0.08 -2.88 -0.03 0.00 1.34 0.00 0.00 72.50 71.01 1cr7 s THR 35 CO 0.84 -0.08 0.01 0.21 -0.54 0.00 0.00 174.62 175.06 1cr7 s ASN 36 N -3.71 4.88 0.53 3.99 3.84 -1.26 -4.92 114.94 118.28 1cr7 s ASN 36 Ca 0.35 -0.19 0.33 0.00 0.21 0.00 0.00 52.86 53.56 1cr7 s ASN 36 Cb 0.06 -1.84 1.29 0.00 -0.55 0.00 0.00 41.25 40.22 1cr7 s ASN 36 CO 0.18 0.06 1.95 -0.07 -2.79 0.00 0.00 177.10 176.44 1cr7 h LEU 37 N 7.49 0.00 -0.95 3.21 4.07 -1.97 -3.18 115.31 123.98 1cr7 h LEU 37 Ca -0.36 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.60 1cr7 h LEU 37 Cb 1.18 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.92 1cr7 h LEU 37 CO 0.61 0.00 -0.19 0.59 -1.08 0.00 0.00 178.44 178.37 1cr7 n ASN 38 N -3.03 1.66 -4.57 -0.43 3.02 -1.26 -4.93 115.26 105.72 1cr7 n ASN 38 Ca 0.01 -1.36 -0.34 0.00 -0.03 0.00 0.00 54.58 52.86 1cr7 n ASN 38 Cb 0.31 0.15 -0.11 0.00 -0.61 0.00 0.00 39.78 39.51 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 -2.28 2.83 0.31 3.52 1.02 -1.20 -5.10 119.74 118.84 1cr7 s LYS 39 Ca 0.28 -0.55 -0.28 0.00 0.02 0.00 0.00 55.97 55.44 1cr7 s LYS 39 Cb 0.20 -2.62 -0.09 0.00 -0.52 0.00 0.00 37.83 34.80 1cr7 s LYS 39 CO 0.44 0.62 1.05 0.08 -0.92 0.00 0.00 175.35 176.63 1cr7 s VAL 40 N -0.70 3.68 -1.38 3.17 1.01 -1.26 -3.59 120.40 121.33 1cr7 s VAL 40 Ca 0.11 1.56 -0.00 0.00 0.00 0.00 0.00 61.98 63.64 1cr7 s VAL 40 Cb -0.11 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.33 1cr7 s VAL 40 CO 0.02 0.27 0.51 0.59 0.00 0.00 0.00 175.10 176.49 1cr7 n ASN 41 N 0.86 -0.63 -4.77 3.32 5.03 -1.18 -4.92 115.26 112.96 1cr7 n ASN 41 Ca 0.01 -0.94 -0.39 0.00 0.87 0.00 0.00 54.58 54.12 1cr7 n ASN 41 Cb 0.47 -3.38 -0.03 0.00 -1.02 0.00 0.00 39.78 35.81 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 -4.35 6.86 -0.03 6.41 0.15 -1.24 -4.37 113.70 117.13 1cr7 s SER 42 Ca 0.01 2.32 -0.03 0.00 0.70 0.00 0.00 55.95 58.96 1cr7 s SER 42 Cb -0.01 -2.62 0.01 0.00 -1.71 0.00 0.00 66.02 61.69 1cr7 s SER 42 CO 0.86 -0.44 0.09 -0.69 1.20 0.00 0.00 173.24 174.27 1cr7 s VAL 43 N -1.32 -0.00 -0.06 4.45 1.01 -1.26 -0.94 120.40 122.28 1cr7 s VAL 43 Ca 0.51 0.01 -0.10 0.00 0.00 0.00 0.00 61.98 62.41 1cr7 s VAL 43 Cb -0.31 -0.14 0.02 0.00 0.00 0.00 0.00 36.38 35.95 1cr7 s VAL 43 CO 0.40 0.01 0.25 -0.83 0.00 0.00 0.00 175.10 174.92 1cr7 s GLY 44 N 0.12 -0.13 -0.05 4.51 0.00 -1.04 0.19 107.32 110.92 1cr7 s GLY 44 Ca -0.01 0.45 -0.08 0.00 0.00 0.00 0.00 44.72 45.09 1cr7 s GLY 44 CO -0.00 0.32 0.20 0.50 0.00 0.00 0.00 173.10 174.11 1cr7 s ARG 45 N -0.55 0.37 -0.08 2.90 0.52 -0.26 -1.65 118.95 120.20 1cr7 s ARG 45 Ca -0.07 0.01 0.03 0.00 -0.52 0.00 0.00 55.73 55.18 1cr7 s ARG 45 Cb -0.04 0.17 0.01 0.00 0.52 0.00 0.00 34.95 35.61 1cr7 s ARG 45 CO 0.02 -0.07 -0.16 0.54 0.02 0.00 0.00 175.30 175.64 1cr7 s VAL 46 N -0.54 1.45 0.10 3.52 0.11 0.08 -1.83 120.40 123.30 1cr7 s VAL 46 Ca -0.06 -0.66 0.08 0.00 -2.93 0.00 0.00 61.98 58.40 1cr7 s VAL 46 Cb -0.04 -1.30 -0.03 0.00 -1.53 0.00 0.00 36.38 33.48 1cr7 s VAL 46 CO 0.01 0.43 -0.20 -0.76 -3.33 0.00 0.00 175.10 171.25 1cr7 s LEU 47 N 0.61 2.30 -0.21 2.54 1.43 -0.67 -1.18 118.68 123.50 1cr7 s LEU 47 Ca -0.15 -0.68 -0.28 0.00 -1.03 0.00 0.00 54.13 51.99 1cr7 s LEU 47 Cb -0.16 -0.83 0.00 0.00 0.03 0.00 0.00 46.19 45.23 1cr7 s LEU 47 CO 0.05 0.03 0.99 -0.47 0.23 0.00 0.00 176.35 177.18 1cr7 s TYR 48 N -1.20 3.36 0.15 0.29 5.04 -0.42 -1.40 117.35 123.17 1cr7 s TYR 48 Ca 0.05 1.41 -0.25 0.00 -2.44 0.00 0.00 57.07 55.85 1cr7 s TYR 48 Cb -0.10 -3.21 0.02 0.00 0.35 0.00 0.00 41.96 39.02 1cr7 s TYR 48 CO 0.04 -0.42 1.60 0.00 -1.34 0.00 0.00 175.55 175.43 1cr7 h ALA 49 N 7.44 -0.29 -2.03 3.97 0.00 -1.33 -3.41 119.26 123.61 1cr7 h ALA 49 Ca -0.22 0.06 -0.57 0.00 0.00 0.00 0.00 54.91 54.19 1cr7 h ALA 49 Cb 1.08 0.68 -0.04 0.00 0.00 0.00 0.00 17.79 19.52 1cr7 h ALA 49 CO 0.94 -0.77 1.03 1.41 0.00 0.00 0.00 179.25 181.86 1cr7 s MET 50 N -5.98 3.92 0.66 0.00 -2.45 -1.26 -4.99 119.30 109.20 1cr7 s MET 50 Ca -0.15 1.51 -0.17 0.00 -1.25 0.00 0.00 55.69 55.63 1cr7 s MET 50 Cb 0.12 -3.93 -0.00 0.00 1.25 0.00 0.00 34.83 32.27 1cr7 s MET 50 CO 0.67 -1.12 1.26 -1.25 1.05 0.00 0.00 175.02 175.63 1cr7 s PRO 51 N 4.28 2.49 -0.08 4.11 0.04 -1.26 -4.92 135.00 139.66 1cr7 s PRO 51 Ca 0.63 1.96 0.01 0.00 0.04 0.00 0.00 61.00 63.65 1cr7 s PRO 51 Cb -0.21 -1.85 -0.02 0.00 0.04 0.00 0.00 34.50 32.45 1cr7 s PRO 51 CO 0.25 -1.62 -0.12 0.08 0.04 0.00 0.00 177.00 175.64 1cr7 s VAL 52 N -1.56 3.26 -0.72 -0.36 1.01 0.54 -4.91 120.40 117.67 1cr7 s VAL 52 Ca 0.80 -0.63 -0.22 0.00 0.00 0.00 0.00 61.98 61.93 1cr7 s VAL 52 Cb -0.35 -2.33 0.07 0.00 0.00 0.00 0.00 36.38 33.78 1cr7 s VAL 52 CO 0.40 0.57 1.03 -0.60 0.00 0.00 0.00 175.10 176.50 1cr7 s ARG 53 N -0.36 3.20 0.17 2.72 3.52 -1.26 -0.94 118.95 126.00 1cr7 s ARG 53 Ca 0.04 -0.91 0.26 0.00 -0.13 0.00 0.00 55.73 54.99 1cr7 s ARG 53 Cb -0.12 -4.36 0.76 0.00 -1.56 0.00 0.00 34.95 29.66 1cr7 s ARG 53 CO 0.02 -1.86 1.70 0.44 -0.81 0.00 0.00 175.30 174.80 1cr7 n ILE 54 N 5.95 0.50 -3.84 4.11 -5.35 -0.54 -4.84 119.36 115.35 1cr7 n ILE 54 Ca 0.02 -0.26 -0.09 0.00 -0.27 0.00 0.00 62.75 62.15 1cr7 n ILE 54 Cb 0.46 -0.48 0.01 0.00 -1.74 0.00 0.00 39.64 37.89 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 -3.10 0.17 -0.15 4.28 1.48 -1.14 -0.29 118.94 120.18 1cr7 s TRP 55 Ca 0.10 -0.77 -0.07 0.00 -1.06 0.00 0.00 56.10 54.30 1cr7 s TRP 55 Cb 0.13 0.73 0.06 0.00 -1.16 0.00 0.00 33.47 33.23 1cr7 s TRP 55 CO 0.62 -1.48 0.35 0.45 -4.06 0.00 0.00 176.95 172.82 1cr7 s SER 56 N -3.06 -0.29 0.41 -2.66 0.15 -0.97 -4.74 113.70 102.54 1cr7 s SER 56 Ca 0.16 0.76 0.29 0.00 0.70 0.00 0.00 55.95 57.86 1cr7 s SER 56 Cb -0.05 0.74 1.11 0.00 -1.71 0.00 0.00 66.02 66.11 1cr7 s SER 56 CO 0.12 -0.20 1.84 0.77 1.20 0.00 0.00 173.24 176.97 1cr7 h SER 57 N 7.45 0.00 -0.17 5.45 4.64 -1.94 0.53 113.55 129.50 1cr7 h SER 57 Ca -0.32 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.92 1cr7 h SER 57 Cb 1.16 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1cr7 h SER 57 CO 0.27 0.00 -0.22 0.00 -0.87 0.00 0.00 176.83 176.01 1cr7 h ALA 58 N 2.13 0.26 0.00 5.18 0.00 -1.98 -3.36 119.26 121.50 1cr7 h ALA 58 Ca 0.00 -0.37 -0.36 0.00 0.00 0.00 0.00 54.91 54.19 1cr7 h ALA 58 Cb 0.51 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.18 1cr7 h ALA 58 CO 0.00 0.21 -2.35 0.25 0.00 0.00 0.00 179.25 177.36 1cr7 n THR 59 N -4.45 1.35 -0.33 0.00 -2.24 -1.18 -5.00 114.28 102.44 1cr7 n THR 59 Ca -0.06 -0.72 0.00 0.00 -2.27 0.00 0.00 64.05 61.00 1cr7 n THR 59 Cb 0.42 -0.79 0.00 0.00 -2.10 0.00 0.00 70.33 67.85 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 1.99 0.69 3.77 3.38 0.00 0.19 -5.05 105.19 110.16 1cr7 n GLY 60 Ca -0.36 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.83 7.30 0.06 1.61 0.02 -1.24 -4.84 114.94 115.02 1cr7 s ASN 61 Ca 0.00 1.98 0.07 0.00 -1.02 0.00 0.00 52.86 53.88 1cr7 s ASN 61 Cb 0.00 -2.60 -0.04 0.00 0.02 0.00 0.00 41.25 38.64 1cr7 s ASN 61 CO 0.00 -0.10 -0.14 -0.69 0.02 0.00 0.00 177.10 176.19 1cr7 s VAL 62 N -1.43 3.11 0.48 1.60 1.01 -1.26 -2.29 120.40 121.61 1cr7 s VAL 62 Ca 0.48 -1.18 -0.06 0.00 0.00 0.00 0.00 61.98 61.22 1cr7 s VAL 62 Cb -0.23 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 1cr7 s VAL 62 CO 0.30 0.25 0.79 0.00 0.00 0.00 0.00 175.10 176.44 1cr7 s ALA 63 N -1.05 3.39 0.08 5.51 0.00 0.60 -4.72 121.76 125.57 1cr7 s ALA 63 Ca 0.17 -0.47 0.06 0.00 0.00 0.00 0.00 51.96 51.72 1cr7 s ALA 63 Cb -0.11 -2.61 -0.04 0.00 0.00 0.00 0.00 23.12 20.37 1cr7 s ALA 63 CO 0.09 -0.33 -0.10 -1.12 0.00 0.00 0.00 175.76 174.30 1cr7 s SER 64 N -4.04 4.41 0.07 0.00 0.01 -0.93 -4.21 113.70 109.01 1cr7 s SER 64 Ca 0.48 -0.33 -0.05 0.00 1.31 0.00 0.00 55.95 57.36 1cr7 s SER 64 Cb -0.10 -0.88 -0.02 0.00 0.21 0.00 0.00 66.02 65.22 1cr7 s SER 64 CO 0.44 0.21 0.07 0.72 0.41 0.00 0.00 173.24 175.09 1cr7 s PHE 65 N -1.15 0.35 -0.04 2.43 -0.12 -0.42 -1.92 117.98 117.11 1cr7 s PHE 65 Ca 0.20 -0.84 0.01 0.00 -0.05 0.00 0.00 56.93 56.25 1cr7 s PHE 65 Cb -0.11 -0.23 0.02 0.00 -0.63 0.00 0.00 43.02 42.07 1cr7 s PHE 65 CO 0.12 -0.46 -0.02 -1.17 -0.05 0.00 0.00 175.22 173.64 1cr7 s LEU 66 N -2.89 1.29 -0.07 -1.99 2.96 0.25 -0.31 118.68 117.91 1cr7 s LEU 66 Ca 0.06 -0.08 -0.18 0.00 -0.22 0.00 0.00 54.13 53.71 1cr7 s LEU 66 Cb 0.07 -0.34 0.04 0.00 0.50 0.00 0.00 46.19 46.46 1cr7 s LEU 66 CO -0.10 -0.07 0.42 0.28 -1.32 0.00 0.00 176.35 175.56 1cr7 s THR 67 N 0.91 0.03 0.03 3.68 -1.32 -0.03 -0.83 115.64 118.11 1cr7 s THR 67 Ca -0.11 -0.22 -0.04 0.00 -1.21 0.00 0.00 61.69 60.11 1cr7 s THR 67 Cb -0.14 -0.68 -0.02 0.00 -1.51 0.00 0.00 72.50 70.15 1cr7 s THR 67 CO -0.01 -0.12 0.06 -0.94 -2.21 0.00 0.00 174.62 171.40 1cr7 s SER 68 N -0.75 0.22 0.20 8.08 1.04 -1.05 0.73 113.70 122.17 1cr7 s SER 68 Ca -0.08 -0.57 -0.23 0.00 0.48 0.00 0.00 55.95 55.55 1cr7 s SER 68 Cb -0.04 0.20 0.05 0.00 0.10 0.00 0.00 66.02 66.33 1cr7 s SER 68 CO 0.04 -0.47 0.77 0.72 0.98 0.00 0.00 173.24 175.29 1cr7 s PHE 69 N -2.46 -0.25 0.01 5.02 -0.12 -0.74 -1.72 117.98 117.72 1cr7 s PHE 69 Ca -0.06 -0.10 0.03 0.00 -0.05 0.00 0.00 56.93 56.75 1cr7 s PHE 69 Cb -0.02 0.65 -0.01 0.00 -0.63 0.00 0.00 43.02 43.01 1cr7 s PHE 69 CO -0.04 -1.01 -0.09 -1.54 -0.05 0.00 0.00 175.22 172.49 1cr7 s SER 70 N -2.86 1.10 0.39 1.98 1.04 -0.76 -1.11 113.70 113.49 1cr7 s SER 70 Ca 0.09 -0.28 0.06 0.00 0.48 0.00 0.00 55.95 56.30 1cr7 s SER 70 Cb -0.04 -0.09 -0.02 0.00 0.10 0.00 0.00 66.02 65.98 1cr7 s SER 70 CO 0.01 0.04 0.20 2.22 0.98 0.00 0.00 173.24 176.69 1cr7 n PHE 71 N 2.45 -0.20 -3.67 5.02 1.16 -0.78 0.15 117.46 121.59 1cr7 n PHE 71 Ca -0.16 -2.76 -0.09 0.00 -1.87 0.00 0.00 57.45 52.58 1cr7 n PHE 71 Cb 0.56 0.10 -0.10 0.00 -1.61 0.00 0.00 39.48 38.44 1cr7 n PHE 71 CO 0.00 0.00 0.00 -2.00 -1.87 0.00 0.00 176.76 172.89 1cr7 s GLU 72 N -3.52 0.36 -0.17 3.97 2.12 -0.42 -1.64 118.70 119.40 1cr7 s GLU 72 Ca 0.28 0.98 -0.02 0.00 0.36 0.00 0.00 54.97 56.57 1cr7 s GLU 72 Cb 0.01 0.23 -0.01 0.00 0.26 0.00 0.00 34.13 34.62 1cr7 s GLU 72 CO 0.20 -0.22 -0.10 -1.64 -0.54 0.00 0.00 175.26 172.96 1cr7 s MET 73 N 2.21 3.36 -0.01 4.30 -1.94 -1.26 -1.12 119.30 124.83 1cr7 s MET 73 Ca -0.05 -0.67 0.05 0.00 -1.71 0.00 0.00 55.69 53.32 1cr7 s MET 73 Cb -0.11 -2.78 -0.01 0.00 2.01 0.00 0.00 34.83 33.94 1cr7 s MET 73 CO -0.13 0.03 -0.16 0.21 -0.01 0.00 0.00 175.02 174.95 1cr7 s LYS 74 N 0.85 1.33 0.51 2.03 2.20 -0.79 -2.13 119.74 123.74 1cr7 s LYS 74 Ca -0.03 -0.60 -0.20 0.00 -0.36 0.00 0.00 55.97 54.79 1cr7 s LYS 74 Cb -0.15 -1.29 -0.07 0.00 -1.51 0.00 0.00 37.83 34.81 1cr7 s LYS 74 CO 0.01 0.35 1.06 -0.51 -0.36 0.00 0.00 175.35 175.90 1cr7 s ASP 75 N -0.42 6.14 0.06 1.43 -0.00 -1.26 -1.46 116.67 121.16 1cr7 s ASP 75 Ca 0.06 1.98 0.06 0.00 -0.00 0.00 0.00 52.55 54.65 1cr7 s ASP 75 Cb -0.06 -2.56 -0.03 0.00 -0.00 0.00 0.00 42.92 40.27 1cr7 s ASP 75 CO -0.01 -0.92 -0.16 0.27 -0.00 0.00 0.00 175.17 174.35 1cr7 s ILE 76 N -1.98 1.26 0.26 0.77 -4.36 -1.26 -4.88 121.20 111.01 1cr7 s ILE 76 Ca 0.68 -1.21 -0.31 0.00 -0.26 0.00 0.00 60.65 59.56 1cr7 s ILE 76 Cb -0.18 -1.16 -0.13 0.00 1.25 0.00 0.00 42.46 42.25 1cr7 s ILE 76 CO 0.23 -0.06 1.52 1.17 0.24 0.00 0.00 174.94 178.04 1cr7 n LYS 77 N 1.56 2.39 -0.27 0.37 4.81 -1.26 -2.91 118.16 122.85 1cr7 n LYS 77 Ca -0.19 0.85 0.00 0.00 -0.87 0.00 0.00 58.31 58.10 1cr7 n LYS 77 Cb 0.54 -2.58 0.00 0.00 0.02 0.00 0.00 35.03 33.01 1cr7 n LYS 77 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1cr7 n ASP 78 N 2.33 0.00 -4.57 3.14 8.00 -1.26 -5.02 116.55 119.16 1cr7 n ASP 78 Ca 0.11 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.31 1cr7 n ASP 78 Cb 0.34 -0.19 -0.10 0.00 -0.02 0.00 0.00 41.12 41.15 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 -3.05 2.73 0.13 1.24 1.51 -1.15 -5.04 117.35 113.74 1cr7 s TYR 79 Ca 0.00 -0.16 -0.30 0.00 -1.01 0.00 0.00 57.07 55.60 1cr7 s TYR 79 Cb 0.00 -1.44 -0.06 0.00 -0.11 0.00 0.00 41.96 40.35 1cr7 s TYR 79 CO 0.00 0.42 1.01 -0.51 -1.11 0.00 0.00 175.55 175.35 1cr7 s ASP 80 N -2.14 7.42 -0.36 2.29 -0.00 -0.96 -4.70 116.67 118.22 1cr7 s ASP 80 Ca 0.21 1.89 -0.28 0.00 -0.00 0.00 0.00 52.55 54.37 1cr7 s ASP 80 Cb -0.11 -2.59 -0.02 0.00 -0.00 0.00 0.00 42.92 40.19 1cr7 s ASP 80 CO 0.13 -0.12 1.88 -2.84 -0.00 0.00 0.00 175.17 174.23 1cr7 s PRO 81 N -0.09 3.15 0.11 8.23 0.02 -1.26 -1.92 135.00 143.24 1cr7 s PRO 81 Ca 0.48 1.38 -0.24 0.00 0.02 0.00 0.00 61.00 62.64 1cr7 s PRO 81 Cb -0.25 -4.26 0.07 0.00 0.02 0.00 0.00 34.50 30.07 1cr7 s PRO 81 CO 0.31 -2.08 0.59 0.00 -0.33 0.00 0.00 177.00 175.50 1cr7 s ALA 82 N 7.63 -1.56 -0.86 -1.55 0.00 -1.26 -4.46 121.76 119.70 1cr7 s ALA 82 Ca 0.81 0.62 0.09 0.00 0.00 0.00 0.00 51.96 53.48 1cr7 s ALA 82 Cb -0.22 0.66 0.01 0.00 0.00 0.00 0.00 23.12 23.57 1cr7 s ALA 82 CO 0.32 -0.66 0.62 -0.25 0.00 0.00 0.00 175.76 175.78 1cr7 n ASP 83 N -0.06 1.21 0.00 0.00 8.00 0.04 -3.48 116.55 122.27 1cr7 n ASP 83 Ca -0.17 -1.11 0.00 0.00 0.71 0.00 0.00 54.79 54.22 1cr7 n ASP 83 Cb 0.63 0.42 0.00 0.00 -0.02 0.00 0.00 41.12 42.15 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 0.82 0.78 3.51 0.44 0.00 -1.26 -2.74 105.19 106.74 1cr7 n GLY 84 Ca 0.04 -2.25 -0.24 0.00 0.00 0.00 0.00 46.02 43.57 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 -1.04 2.62 -0.11 -0.61 1.01 -1.02 -3.70 121.20 118.35 1cr7 s ILE 85 Ca 0.00 -2.29 -0.07 0.00 0.00 0.00 0.00 60.65 58.29 1cr7 s ILE 85 Cb 0.00 -2.44 0.04 0.00 0.01 0.00 0.00 42.46 40.07 1cr7 s ILE 85 CO 0.00 -0.37 0.27 -0.51 0.00 0.00 0.00 174.94 174.34 1cr7 s ILE 86 N -2.49 -0.03 -0.29 2.92 2.07 -0.68 -0.42 121.20 122.29 1cr7 s ILE 86 Ca 0.31 0.10 -0.14 0.00 -1.41 0.00 0.00 60.65 59.50 1cr7 s ILE 86 Cb -0.04 -0.41 -0.03 0.00 0.13 0.00 0.00 42.46 42.10 1cr7 s ILE 86 CO 0.16 0.04 0.32 0.12 -1.91 0.00 0.00 174.94 173.67 1cr7 s PHE 87 N 0.93 3.23 0.23 3.50 5.36 -0.13 -1.62 117.98 129.49 1cr7 s PHE 87 Ca -0.06 0.22 0.06 0.00 -0.96 0.00 0.00 56.93 56.19 1cr7 s PHE 87 Cb -0.07 -2.54 -0.05 0.00 -0.34 0.00 0.00 43.02 40.01 1cr7 s PHE 87 CO -0.06 -0.26 -0.08 -0.59 -1.46 0.00 0.00 175.22 172.77 1cr7 s PHE 88 N 1.97 1.72 -0.09 10.12 -0.12 0.31 -0.36 117.98 131.51 1cr7 s PHE 88 Ca 0.12 -0.70 0.01 0.00 -0.05 0.00 0.00 56.93 56.31 1cr7 s PHE 88 Cb -0.16 -0.91 0.02 0.00 -0.63 0.00 0.00 43.02 41.34 1cr7 s PHE 88 CO 0.11 0.23 -0.11 0.42 -0.05 0.00 0.00 175.22 175.81 1cr7 s ILE 89 N -3.11 1.16 0.22 -4.49 1.01 0.22 -1.54 121.20 114.66 1cr7 s ILE 89 Ca 0.25 -0.43 -0.00 0.00 0.00 0.00 0.00 60.65 60.47 1cr7 s ILE 89 Cb 0.02 -1.10 -0.04 0.00 0.01 0.00 0.00 42.46 41.35 1cr7 s ILE 89 CO 0.08 0.37 0.14 0.00 0.00 0.00 0.00 174.94 175.54 1cr7 s ALA 90 N 1.14 1.29 0.65 9.38 0.00 -0.63 -1.29 121.76 132.29 1cr7 s ALA 90 Ca -0.05 -1.74 -0.18 0.00 0.00 0.00 0.00 51.96 49.98 1cr7 s ALA 90 Cb -0.14 1.36 -0.01 0.00 0.00 0.00 0.00 23.12 24.33 1cr7 s ALA 90 CO -0.02 -0.58 1.29 -2.14 0.00 0.00 0.00 175.76 174.31 1cr7 s PRO 91 N -4.09 2.54 0.61 0.00 0.02 -1.26 -0.61 135.00 132.22 1cr7 s PRO 91 Ca 0.39 2.06 0.31 0.00 0.02 0.00 0.00 61.00 63.78 1cr7 s PRO 91 Cb 0.07 -1.84 1.72 0.00 0.02 0.00 0.00 34.50 34.46 1cr7 s PRO 91 CO 0.13 -1.60 2.08 1.05 -0.33 0.00 0.00 177.00 178.33 1cr7 h GLU 92 N 0.53 0.00 -0.01 5.54 4.11 -1.85 -1.36 114.58 121.54 1cr7 h GLU 92 Ca -0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.92 1cr7 h GLU 92 Cb 1.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.59 1cr7 h GLU 92 CO 0.53 0.00 -0.07 -0.40 0.07 0.00 0.00 179.01 179.14 1cr7 n ASP 93 N -3.56 1.07 -4.52 3.06 5.68 -1.26 -4.89 116.55 112.13 1cr7 n ASP 93 Ca 0.01 -1.18 -0.45 0.00 -0.50 0.00 0.00 54.79 52.67 1cr7 n ASP 93 Cb 0.34 0.02 -0.02 0.00 -1.14 0.00 0.00 41.12 40.33 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 -0.30 1.98 -3.99 2.12 5.66 -0.51 -5.02 114.28 114.22 1cr7 n THR 94 Ca 0.18 -0.50 -0.09 0.00 -3.05 0.00 0.00 64.05 60.58 1cr7 n THR 94 Cb 0.31 -0.65 -0.08 0.00 -1.55 0.00 0.00 70.33 68.36 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 -1.39 1.10 0.03 1.09 -1.52 -1.26 -5.08 119.66 112.62 1cr7 s GLN 95 Ca 0.61 -1.21 -0.30 0.00 -1.95 0.00 0.00 55.36 52.51 1cr7 s GLN 95 Cb -0.76 0.35 -0.08 0.00 -0.22 0.00 0.00 33.01 32.30 1cr7 s GLN 95 CO 0.59 -0.38 1.72 0.42 -0.25 0.00 0.00 175.29 177.38 1cr7 s ILE 96 N -3.98 3.15 0.21 1.08 1.01 -1.26 -4.89 121.20 116.53 1cr7 s ILE 96 Ca 0.18 0.44 -0.29 0.00 0.00 0.00 0.00 60.65 60.97 1cr7 s ILE 96 Cb 0.04 -3.28 -0.16 0.00 0.01 0.00 0.00 42.46 39.07 1cr7 s ILE 96 CO -0.00 -0.02 0.78 -2.65 0.00 0.00 0.00 174.94 173.05 1cr7 n PRO 97 N 6.38 0.57 -1.80 2.79 -0.02 -1.26 -4.85 135.00 136.80 1cr7 n PRO 97 Ca 0.17 0.20 -0.42 0.00 -2.02 0.00 0.00 63.50 61.43 1cr7 n PRO 97 Cb 0.41 -1.41 -0.03 0.00 -0.02 0.00 0.00 33.50 32.46 1cr7 n PRO 97 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1cr7 s ALA 98 N -0.87 3.69 -0.58 3.55 0.00 -1.26 -2.05 121.76 124.24 1cr7 s ALA 98 Ca 0.65 1.31 -0.03 0.00 0.00 0.00 0.00 51.96 53.89 1cr7 s ALA 98 Cb -0.87 -3.75 0.00 0.00 0.00 0.00 0.00 23.12 18.50 1cr7 s ALA 98 CO 0.57 -1.26 0.50 0.41 0.00 0.00 0.00 175.76 175.99 1cr7 n GLY 99 N 4.20 0.23 3.64 0.00 0.00 -1.26 -4.93 105.19 107.06 1cr7 n GLY 99 Ca 0.17 -0.25 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.28 6.41 0.00 1.61 0.15 -0.87 -4.86 113.70 112.85 1cr7 s SER 100 Ca 0.18 1.91 0.29 0.00 0.70 0.00 0.00 55.95 59.04 1cr7 s SER 100 Cb -0.08 -2.53 1.76 0.00 -1.71 0.00 0.00 66.02 63.46 1cr7 s SER 100 CO 0.32 -1.19 2.11 2.30 1.20 0.00 0.00 173.24 177.98 1cr7 n ILE 101 N 6.15 0.00 -3.18 6.45 -5.35 -1.26 -4.99 119.36 117.18 1cr7 n ILE 101 Ca 0.19 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.67 1cr7 n ILE 101 Cb 0.44 -0.50 0.00 0.00 -1.74 0.00 0.00 39.64 37.84 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 0.90 2.31 7.00 3.28 0.00 -1.26 -4.72 105.19 112.70 1cr7 n GLY 102 Ca 0.22 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 2.61 0.00 -0.02 0.00 0.11 -2.58 105.19 105.31 1cr7 n GLY 103 Ca 0.00 -0.34 0.03 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.23 0.04 -0.02 0.00 -1.26 -1.52 105.19 102.20 1cr7 n GLY 104 Ca 0.00 -0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.02 0.25 -1.24 2.61 -2.24 -1.07 -4.92 114.28 106.66 1cr7 n THR 105 Ca 0.05 -0.15 -0.11 0.00 -2.27 0.00 0.00 64.05 61.57 1cr7 n THR 105 Cb 0.02 -0.23 -0.05 0.00 -2.10 0.00 0.00 70.33 67.98 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 -1.87 -0.50 -0.03 3.22 4.77 -0.58 -1.29 117.00 120.72 1cr7 n LEU 106 Ca 0.05 0.27 -0.00 0.00 -0.03 0.00 0.00 56.01 56.29 1cr7 n LEU 106 Cb 0.39 -2.29 -0.00 0.00 -2.33 0.00 0.00 43.42 39.19 1cr7 n LEU 106 CO 0.33 -0.85 -0.00 0.61 -1.33 0.00 0.00 177.39 176.14 1cr7 n GLY 107 N 0.09 0.46 0.08 -0.72 0.00 -1.26 -3.89 105.19 99.95 1cr7 n GLY 107 Ca -0.11 -0.55 0.01 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.97 0.38 -4.00 1.61 0.24 -0.41 -4.51 118.33 108.67 1cr7 n VAL 108 Ca -0.00 -0.41 -0.10 0.00 -2.04 0.00 0.00 64.34 61.79 1cr7 n VAL 108 Cb 0.02 0.71 -0.06 0.00 -1.47 0.00 0.00 33.84 33.04 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 -0.61 -0.03 0.92 -1.34 1.04 -1.18 -4.55 113.70 107.95 1cr7 s SER 109 Ca 0.02 -0.94 -0.04 0.00 0.48 0.00 0.00 55.95 55.47 1cr7 s SER 109 Cb 0.02 0.51 0.07 0.00 0.10 0.00 0.00 66.02 66.72 1cr7 s SER 109 CO 0.00 -1.02 0.40 -0.90 0.98 0.00 0.00 173.24 172.70 1cr7 n ASP 110 N -0.31 0.09 0.30 7.02 5.68 -0.03 -4.83 116.55 124.47 1cr7 n ASP 110 Ca -0.03 -1.18 0.18 0.00 -0.50 0.00 0.00 54.79 53.25 1cr7 n ASP 110 Cb 0.63 -0.30 0.97 0.00 -1.14 0.00 0.00 41.12 41.28 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 -1.11 0.30 -0.01 2.12 2.02 -1.91 -0.16 112.91 114.15 1cr7 h THR 111 Ca -0.13 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 66.88 1cr7 h THR 111 Cb 0.37 1.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 1cr7 h THR 111 CO 0.10 0.03 -0.03 0.29 0.37 0.00 0.00 175.52 176.27 1cr7 n LYS 112 N -3.45 1.43 -0.91 6.66 4.76 -1.26 -4.91 118.16 120.47 1cr7 n LYS 112 Ca -0.02 -0.73 0.00 0.00 -2.87 0.00 0.00 58.31 54.68 1cr7 n LYS 112 Cb 0.13 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 31.84 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 1.17 0.72 3.90 0.72 0.00 -0.07 -4.91 105.19 106.73 1cr7 n GLY 113 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.79 3.74 0.04 4.61 0.00 -1.26 -0.43 121.76 125.67 1cr7 s ALA 114 Ca 0.00 -0.57 -0.05 0.00 0.00 0.00 0.00 51.96 51.34 1cr7 s ALA 114 Cb 0.00 -2.17 0.02 0.00 0.00 0.00 0.00 23.12 20.97 1cr7 s ALA 114 CO 0.00 0.53 0.24 0.41 0.00 0.00 0.00 175.76 176.94 1cr7 n GLY 115 N -0.26 1.13 2.87 0.00 0.00 -1.18 -0.85 105.19 106.89 1cr7 n GLY 115 Ca -0.02 -0.97 -0.29 0.00 0.00 0.00 0.00 46.02 44.74 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 -5.06 3.22 0.28 1.61 2.46 -1.26 -4.57 115.29 111.98 1cr7 s HIS 116 Ca 0.05 -3.18 -0.20 0.00 0.47 0.00 0.00 55.06 52.20 1cr7 s HIS 116 Cb -0.01 -2.57 0.04 0.00 -0.13 0.00 0.00 32.58 29.91 1cr7 s HIS 116 CO 0.01 -0.63 0.80 -0.59 -2.47 0.00 0.00 174.74 171.87 1cr7 s PHE 117 N -0.96 -0.08 -0.02 3.88 -0.12 -1.26 -4.32 117.98 115.10 1cr7 s PHE 117 Ca 0.23 -0.41 -0.00 0.00 -0.05 0.00 0.00 56.93 56.69 1cr7 s PHE 117 Cb -0.11 0.73 0.03 0.00 -0.63 0.00 0.00 43.02 43.05 1cr7 s PHE 117 CO -0.12 -1.24 0.03 0.08 -0.05 0.00 0.00 175.22 173.92 1cr7 s VAL 118 N -3.26 -0.06 0.25 -2.49 1.01 -0.41 -0.66 120.40 114.77 1cr7 s VAL 118 Ca 0.13 0.25 -0.22 0.00 0.00 0.00 0.00 61.98 62.14 1cr7 s VAL 118 Cb -0.05 -0.09 0.04 0.00 0.00 0.00 0.00 36.38 36.28 1cr7 s VAL 118 CO 0.07 0.10 0.82 -0.83 0.00 0.00 0.00 175.10 175.26 1cr7 s GLY 119 N 1.22 -0.06 -0.20 4.51 0.00 -0.29 0.71 107.32 113.21 1cr7 s GLY 119 Ca -0.07 -0.25 -0.02 0.00 0.00 0.00 0.00 44.72 44.38 1cr7 s GLY 119 CO -0.03 0.04 -0.11 0.14 0.00 0.00 0.00 173.10 173.14 1cr7 s VAL 120 N -3.43 2.86 0.07 1.40 1.01 0.51 0.09 120.40 122.91 1cr7 s VAL 120 Ca 0.13 -0.67 0.03 0.00 0.00 0.00 0.00 61.98 61.47 1cr7 s VAL 120 Cb -0.04 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 1cr7 s VAL 120 CO 0.06 0.47 0.06 -1.83 0.00 0.00 0.00 175.10 173.86 1cr7 s GLU 121 N 1.35 2.82 -0.67 2.72 -1.05 0.23 -0.96 118.70 123.15 1cr7 s GLU 121 Ca 0.05 -0.71 0.05 0.00 -0.15 0.00 0.00 54.97 54.21 1cr7 s GLU 121 Cb -0.14 -2.69 0.17 0.00 -0.44 0.00 0.00 34.13 31.02 1cr7 s GLU 121 CO -0.06 0.57 0.46 -0.06 0.95 0.00 0.00 175.26 177.12 1cr7 s PHE 122 N -1.35 3.37 -0.28 4.83 0.40 0.44 -0.88 117.98 124.52 1cr7 s PHE 122 Ca 0.28 -3.26 -0.29 0.00 -0.60 0.00 0.00 56.93 53.06 1cr7 s PHE 122 Cb -0.12 -2.60 0.01 0.00 0.51 0.00 0.00 43.02 40.82 1cr7 s PHE 122 CO 0.20 -0.58 1.13 0.34 0.70 0.00 0.00 175.22 177.01 1cr7 s ASP 123 N -1.25 6.93 -0.02 1.36 3.68 0.13 -2.44 116.67 125.07 1cr7 s ASP 123 Ca 0.25 1.23 0.14 0.00 2.13 0.00 0.00 52.55 56.29 1cr7 s ASP 123 Cb -0.06 -2.54 0.41 0.00 -1.45 0.00 0.00 42.92 39.27 1cr7 s ASP 123 CO -0.15 -0.85 1.34 0.35 0.13 0.00 0.00 175.17 175.99 1cr7 n THR 124 N 5.74 1.15 -3.74 1.71 -2.24 -1.11 -1.24 114.28 114.54 1cr7 n THR 124 Ca 0.13 -1.08 -0.13 0.00 -2.27 0.00 0.00 64.05 60.70 1cr7 n THR 124 Cb 0.46 0.42 -0.13 0.00 -2.10 0.00 0.00 70.33 68.98 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 -1.19 -0.29 -0.24 4.78 5.04 -1.26 -4.62 117.35 119.57 1cr7 s TYR 125 Ca 0.31 0.71 -0.26 0.00 -2.44 0.00 0.00 57.07 55.38 1cr7 s TYR 125 Cb 0.17 0.02 0.00 0.00 0.35 0.00 0.00 41.96 42.51 1cr7 s TYR 125 CO 0.19 -0.21 0.92 0.45 -1.34 0.00 0.00 175.55 175.56 1cr7 s SER 126 N 1.15 6.93 -0.36 4.32 0.15 -1.26 -5.01 113.70 119.61 1cr7 s SER 126 Ca -0.08 1.15 -0.03 0.00 0.70 0.00 0.00 55.95 57.69 1cr7 s SER 126 Cb -0.10 -2.48 0.08 0.00 -1.71 0.00 0.00 66.02 61.81 1cr7 s SER 126 CO -0.07 -0.60 0.13 0.20 1.20 0.00 0.00 173.24 174.10 1cr7 s ASN 127 N 1.31 5.16 0.56 5.45 -0.87 -1.26 -4.96 114.94 120.32 1cr7 s ASN 127 Ca 0.39 -1.66 0.32 0.00 -1.57 0.00 0.00 52.86 50.34 1cr7 s ASN 127 Cb -0.15 -1.80 1.66 0.00 -0.02 0.00 0.00 41.25 40.94 1cr7 s ASN 127 CO 0.07 -0.42 2.14 0.77 -2.57 0.00 0.00 177.10 177.09 1cr7 h SER 128 N 8.06 0.00 0.25 -1.22 4.64 -1.95 -1.81 113.55 121.51 1cr7 h SER 128 Ca -0.17 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.11 1cr7 h SER 128 Cb 1.06 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.14 1cr7 h SER 128 CO 0.63 0.07 -0.20 1.05 -0.87 0.00 0.00 176.83 177.51 1cr7 h GLU 129 N 0.00 0.00 -0.35 4.77 9.09 -1.96 -2.51 114.58 123.62 1cr7 h GLU 129 Ca -0.00 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.37 1cr7 h GLU 129 Cb 0.26 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.34 1cr7 h GLU 129 CO 0.01 0.20 0.02 0.66 0.05 0.00 0.00 179.01 179.95 1cr7 n TYR 130 N -4.16 1.25 -3.69 2.06 0.53 -0.73 -4.96 117.16 107.45 1cr7 n TYR 130 Ca -0.02 -0.96 -0.25 0.00 -1.02 0.00 0.00 57.90 55.65 1cr7 n TYR 130 Cb 0.27 -0.39 0.03 0.00 -1.03 0.00 0.00 39.34 38.22 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 -0.39 -3.13 -4.76 7.72 3.02 -0.94 -4.17 115.26 112.61 1cr7 n ASN 131 Ca 0.25 -0.92 -0.39 0.00 -0.03 0.00 0.00 54.58 53.49 1cr7 n ASN 131 Cb 0.99 -3.75 -0.05 0.00 -0.61 0.00 0.00 39.78 36.36 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 -3.93 7.18 0.78 6.41 1.11 -0.89 -4.82 116.67 122.51 1cr7 s ASP 132 Ca 0.23 1.40 -0.13 0.00 0.18 0.00 0.00 52.55 54.22 1cr7 s ASP 132 Cb -0.07 -2.44 0.06 0.00 1.07 0.00 0.00 42.92 41.54 1cr7 s ASP 132 CO 0.84 0.08 1.17 -2.84 1.18 0.00 0.00 175.17 175.60 1cr7 s PRO 133 N -0.33 1.91 0.00 8.23 0.02 -1.26 -4.70 135.00 138.86 1cr7 s PRO 133 Ca 0.36 1.63 0.12 0.00 0.02 0.00 0.00 61.00 63.12 1cr7 s PRO 133 Cb -0.20 -1.82 0.69 0.00 0.02 0.00 0.00 34.50 33.18 1cr7 s PRO 133 CO 0.22 -1.98 1.17 -0.35 -0.33 0.00 0.00 177.00 175.73 1cr7 n PRO 134 N -3.16 0.33 -4.31 5.54 -0.04 -1.26 -4.65 135.00 127.45 1cr7 n PRO 134 Ca 0.12 0.03 -0.17 0.00 -0.04 0.00 0.00 63.50 63.45 1cr7 n PRO 134 Cb 0.51 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.37 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 -2.11 1.16 0.54 0.52 -4.23 -1.26 -4.93 115.64 105.32 1cr7 s THR 135 Ca 0.17 -2.06 -0.20 0.00 -1.18 0.00 0.00 61.69 58.41 1cr7 s THR 135 Cb 0.08 -2.19 -0.07 0.00 1.34 0.00 0.00 72.50 71.66 1cr7 s THR 135 CO 0.14 -0.46 0.90 0.47 -0.54 0.00 0.00 174.62 175.14 1cr7 n ASP 136 N -0.36 0.62 -3.59 3.99 10.43 -1.26 -4.88 116.55 121.50 1cr7 n ASP 136 Ca -0.07 0.87 -0.11 0.00 2.57 0.00 0.00 54.79 58.06 1cr7 n ASP 136 Cb 0.63 -1.34 -0.03 0.00 1.84 0.00 0.00 41.12 42.22 1cr7 n ASP 136 CO 0.00 0.00 0.00 -1.38 -1.07 0.00 0.00 177.20 174.75 1cr7 s HIS 137 N -1.47 -0.34 -0.10 1.24 -3.43 -0.38 -1.72 115.29 109.10 1cr7 s HIS 137 Ca 0.70 0.05 -0.02 0.00 -0.80 0.00 0.00 55.06 54.99 1cr7 s HIS 137 Cb -0.47 0.49 -0.03 0.00 -1.43 0.00 0.00 32.58 31.14 1cr7 s HIS 137 CO 0.52 -0.89 -0.01 0.08 -2.00 0.00 0.00 174.74 172.43 1cr7 s VAL 138 N -3.81 4.18 0.05 -5.38 1.01 -0.76 -0.69 120.40 115.00 1cr7 s VAL 138 Ca 0.05 -0.29 -0.02 0.00 0.00 0.00 0.00 61.98 61.71 1cr7 s VAL 138 Cb -0.01 -2.77 -0.03 0.00 0.00 0.00 0.00 36.38 33.57 1cr7 s VAL 138 CO -0.08 0.58 0.01 -0.83 0.00 0.00 0.00 175.10 174.78 1cr7 s GLY 139 N -0.63 0.38 -0.29 4.51 0.00 -0.06 -1.56 107.32 109.66 1cr7 s GLY 139 Ca 0.10 -1.03 -0.05 0.00 0.00 0.00 0.00 44.72 43.74 1cr7 s GLY 139 CO 0.02 -1.15 0.04 -0.42 0.00 0.00 0.00 173.10 171.60 1cr7 s ILE 140 N -3.60 3.64 -0.15 0.90 -1.09 -0.82 -0.60 121.20 119.48 1cr7 s ILE 140 Ca 0.04 -0.84 -0.05 0.00 -2.23 0.00 0.00 60.65 57.57 1cr7 s ILE 140 Cb 0.05 -2.89 -0.04 0.00 -1.58 0.00 0.00 42.46 38.00 1cr7 s ILE 140 CO -0.09 0.08 0.03 -1.81 -1.23 0.00 0.00 174.94 171.93 1cr7 s ASP 141 N 1.44 5.43 -0.45 3.58 -0.00 0.11 -1.12 116.67 125.65 1cr7 s ASP 141 Ca 0.01 0.08 0.02 0.00 -0.00 0.00 0.00 52.55 52.67 1cr7 s ASP 141 Cb -0.17 -1.82 0.14 0.00 -0.00 0.00 0.00 42.92 41.07 1cr7 s ASP 141 CO 0.01 0.24 0.27 -0.69 -0.00 0.00 0.00 175.17 174.99 1cr7 s VAL 142 N -0.04 1.28 -1.13 -1.27 1.01 -1.26 -1.14 120.40 117.84 1cr7 s VAL 142 Ca 0.05 -2.62 -0.00 0.00 0.00 0.00 0.00 61.98 59.40 1cr7 s VAL 142 Cb -0.12 -1.89 0.00 0.00 0.00 0.00 0.00 36.38 34.37 1cr7 s VAL 142 CO 0.01 -0.95 0.05 0.59 0.00 0.00 0.00 175.10 174.80 1cr7 n ASN 143 N 3.39 -4.21 -3.63 3.32 5.03 0.16 -4.97 115.26 114.36 1cr7 n ASN 143 Ca 0.12 -0.03 -0.04 0.00 0.87 0.00 0.00 54.58 55.50 1cr7 n ASN 143 Cb 0.36 -3.35 -0.04 0.00 -1.02 0.00 0.00 39.78 35.73 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 -2.44 -0.12 0.00 6.41 0.15 -1.26 -3.09 113.70 113.35 1cr7 s SER 144 Ca 0.02 0.14 0.20 0.00 0.70 0.00 0.00 55.95 57.01 1cr7 s SER 144 Cb -0.01 0.10 0.60 0.00 -1.71 0.00 0.00 66.02 65.00 1cr7 s SER 144 CO 0.03 -0.11 1.47 1.33 1.20 0.00 0.00 173.24 177.16 1cr7 n VAL 145 N 0.60 0.35 -3.02 4.45 0.24 0.43 -4.33 118.33 117.04 1cr7 n VAL 145 Ca -0.03 -0.49 -0.44 0.00 -2.04 0.00 0.00 64.34 61.33 1cr7 n VAL 145 Cb 0.59 0.54 0.00 0.00 -1.47 0.00 0.00 33.84 33.49 1cr7 n VAL 145 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1cr7 n ASP 146 N 0.73 5.29 -4.36 -1.34 4.64 -1.26 -4.92 116.55 115.32 1cr7 n ASP 146 Ca 0.17 -2.99 -0.45 0.00 -1.38 0.00 0.00 54.79 50.13 1cr7 n ASP 146 Cb 0.41 -1.53 -0.02 0.00 -1.04 0.00 0.00 41.12 38.94 1cr7 n ASP 146 CO 0.00 0.00 0.00 -1.20 -0.82 0.00 0.00 177.20 175.18 1cr7 n SER 147 N 5.01 -1.86 0.22 1.67 7.64 -1.26 -4.87 113.62 120.17 1cr7 n SER 147 Ca 0.34 1.00 0.11 0.00 1.01 0.00 0.00 58.87 61.34 1cr7 n SER 147 Cb 0.42 -0.93 0.36 0.00 -1.01 0.00 0.00 64.21 63.05 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 0.74 0.30 -1.68 0.44 2.07 -1.46 -3.45 116.25 113.22 1cr7 h VAL 148 Ca -0.32 -1.11 0.04 0.00 0.82 0.00 0.00 66.70 66.14 1cr7 h VAL 148 Cb 1.44 1.88 -0.25 0.00 -1.52 0.00 0.00 31.29 32.84 1cr7 h VAL 148 CO 0.53 0.14 0.40 -0.75 0.02 0.00 0.00 177.57 177.92 1cr7 s LYS 149 N -3.42 0.60 0.43 1.57 2.20 -1.24 -5.04 119.74 114.84 1cr7 s LYS 149 Ca 0.03 0.58 0.04 0.00 -0.36 0.00 0.00 55.97 56.26 1cr7 s LYS 149 Cb 0.08 0.29 -0.02 0.00 -1.51 0.00 0.00 37.83 36.67 1cr7 s LYS 149 CO 0.64 -0.10 0.12 0.95 -0.36 0.00 0.00 175.35 176.61 1cr7 s THR 150 N -0.01 0.62 -0.26 3.43 -4.23 -1.26 -1.95 115.64 111.98 1cr7 s THR 150 Ca 0.01 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.33 1cr7 s THR 150 Cb -0.04 -2.30 0.07 0.00 1.34 0.00 0.00 72.50 71.57 1cr7 s THR 150 CO -0.03 0.00 0.66 0.54 -0.54 0.00 0.00 174.62 175.25 1cr7 s VAL 151 N -3.16 -0.00 0.39 2.29 0.11 -0.60 -4.98 120.40 114.45 1cr7 s VAL 151 Ca 0.21 0.01 -0.27 0.00 -2.93 0.00 0.00 61.98 58.99 1cr7 s VAL 151 Cb 0.02 -0.94 -0.10 0.00 -1.53 0.00 0.00 36.38 33.83 1cr7 s VAL 151 CO 0.13 0.00 1.46 -2.84 -3.33 0.00 0.00 175.10 170.52 1cr7 s PRO 152 N 0.94 4.02 0.28 1.54 0.02 -1.26 -1.83 135.00 138.71 1cr7 s PRO 152 Ca -0.05 2.50 -0.04 0.00 0.02 0.00 0.00 61.00 63.43 1cr7 s PRO 152 Cb -0.05 -2.89 -0.01 0.00 0.02 0.00 0.00 34.50 31.57 1cr7 s PRO 152 CO -0.08 -0.58 0.39 -0.46 -0.33 0.00 0.00 177.00 175.93 1cr7 s TRP 153 N -1.15 0.94 -0.13 6.54 -0.00 -0.70 -4.78 118.94 119.66 1cr7 s TRP 153 Ca 0.55 -1.18 -0.04 0.00 -0.00 0.00 0.00 56.10 55.43 1cr7 s TRP 153 Cb -0.45 -0.16 0.07 0.00 -0.00 0.00 0.00 33.47 32.93 1cr7 s TRP 153 CO 0.61 -0.97 0.23 1.21 -0.00 0.00 0.00 176.95 178.02 1cr7 s ASN 154 N -3.17 0.65 -0.10 5.86 2.47 -1.26 -4.22 114.94 115.17 1cr7 s ASN 154 Ca 0.31 0.37 -0.22 0.00 0.42 0.00 0.00 52.86 53.74 1cr7 s ASN 154 Cb 0.01 0.52 -0.04 0.00 -1.45 0.00 0.00 41.25 40.30 1cr7 s ASN 154 CO 0.16 -0.26 0.64 -0.55 -3.72 0.00 0.00 177.10 173.37 1cr7 s SER 155 N 2.37 6.88 -0.25 -4.21 0.15 -1.26 -5.04 113.70 112.33 1cr7 s SER 155 Ca 0.03 1.05 -0.05 0.00 0.70 0.00 0.00 55.95 57.69 1cr7 s SER 155 Cb -0.13 -2.38 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 1cr7 s SER 155 CO -0.08 -0.12 0.00 -0.69 1.20 0.00 0.00 173.24 173.55 1cr7 s VAL 156 N 0.95 3.53 0.09 4.45 1.01 -1.26 -5.07 120.40 124.10 1cr7 s VAL 156 Ca 0.34 -0.64 -0.32 0.00 0.00 0.00 0.00 61.98 61.36 1cr7 s VAL 156 Cb -0.17 -2.72 -0.11 0.00 0.00 0.00 0.00 36.38 33.38 1cr7 s VAL 156 CO 0.15 0.26 1.82 -0.24 0.00 0.00 0.00 175.10 177.09 1cr7 n SER 157 N 4.80 3.81 0.00 3.32 2.88 -1.26 -1.80 113.62 125.38 1cr7 n SER 157 Ca -0.16 0.99 0.00 0.00 -1.33 0.00 0.00 58.87 58.37 1cr7 n SER 157 Cb 0.49 -1.50 0.00 0.00 -0.75 0.00 0.00 64.21 62.45 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 4.16 1.69 3.78 0.46 0.00 -0.90 -4.93 105.19 109.44 1cr7 n GLY 158 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.54 3.36 -0.23 4.61 0.00 -0.74 -4.96 121.76 121.25 1cr7 s ALA 159 Ca 0.00 0.43 -0.23 0.00 0.00 0.00 0.00 51.96 52.16 1cr7 s ALA 159 Cb 0.00 -3.05 -0.01 0.00 0.00 0.00 0.00 23.12 20.06 1cr7 s ALA 159 CO 0.00 0.25 0.73 0.08 0.00 0.00 0.00 175.76 176.82 1cr7 s VAL 160 N -1.34 4.92 0.01 0.00 1.01 -1.26 -4.28 120.40 119.45 1cr7 s VAL 160 Ca 0.42 1.37 0.00 0.00 0.00 0.00 0.00 61.98 63.77 1cr7 s VAL 160 Cb -0.21 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 1cr7 s VAL 160 CO 0.26 -0.00 0.09 -0.69 0.00 0.00 0.00 175.10 174.76 1cr7 s VAL 161 N 2.53 4.74 -0.05 2.92 1.01 -0.65 -4.33 120.40 126.57 1cr7 s VAL 161 Ca 0.31 -0.47 0.04 0.00 0.00 0.00 0.00 61.98 61.87 1cr7 s VAL 161 Cb -0.16 -3.20 -0.00 0.00 0.00 0.00 0.00 36.38 33.02 1cr7 s VAL 161 CO 0.09 0.30 -0.19 -0.54 0.00 0.00 0.00 175.10 174.75 1cr7 s LYS 162 N -1.90 2.09 0.06 2.72 1.02 -1.11 -1.86 119.74 120.76 1cr7 s LYS 162 Ca 0.25 -0.69 0.06 0.00 0.02 0.00 0.00 55.97 55.61 1cr7 s LYS 162 Cb -0.12 -1.76 -0.03 0.00 -0.52 0.00 0.00 37.83 35.40 1cr7 s LYS 162 CO 0.16 0.25 -0.16 0.08 -0.92 0.00 0.00 175.35 174.76 1cr7 s VAL 163 N 0.08 1.25 -0.03 3.17 1.01 -0.26 -0.34 120.40 125.27 1cr7 s VAL 163 Ca -0.06 -1.21 0.02 0.00 0.00 0.00 0.00 61.98 60.72 1cr7 s VAL 163 Cb -0.13 -1.15 0.01 0.00 0.00 0.00 0.00 36.38 35.11 1cr7 s VAL 163 CO 0.03 -0.08 -0.07 -0.89 0.00 0.00 0.00 175.10 174.10 1cr7 s THR 164 N -1.05 0.68 -0.02 3.92 2.01 -0.80 -1.80 115.64 118.58 1cr7 s THR 164 Ca 0.01 -0.26 0.03 0.00 0.31 0.00 0.00 61.69 61.78 1cr7 s THR 164 Cb -0.09 -0.64 -0.00 0.00 0.01 0.00 0.00 72.50 71.78 1cr7 s THR 164 CO 0.02 0.23 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.39 1cr7 s VAL 165 N 0.49 0.88 -0.08 3.82 1.01 0.22 -1.51 120.40 125.23 1cr7 s VAL 165 Ca -0.07 -0.43 0.02 0.00 0.00 0.00 0.00 61.98 61.49 1cr7 s VAL 165 Cb -0.11 -0.77 0.02 0.00 0.00 0.00 0.00 36.38 35.52 1cr7 s VAL 165 CO 0.01 0.26 -0.11 -0.63 0.00 0.00 0.00 175.10 174.63 1cr7 s ILE 166 N 0.04 1.11 -0.17 2.22 1.01 -0.22 -0.85 121.20 124.34 1cr7 s ILE 166 Ca -0.01 -0.43 0.01 0.00 0.00 0.00 0.00 60.65 60.21 1cr7 s ILE 166 Cb -0.08 -1.04 0.01 0.00 0.01 0.00 0.00 42.46 41.36 1cr7 s ILE 166 CO 0.00 0.36 -0.18 -0.47 0.00 0.00 0.00 174.94 174.65 1cr7 s TYR 167 N 0.92 2.77 -0.32 3.97 5.04 0.57 -0.37 117.35 129.93 1cr7 s TYR 167 Ca -0.10 -1.36 -0.09 0.00 -2.44 0.00 0.00 57.07 53.08 1cr7 s TYR 167 Cb -0.15 -1.90 0.01 0.00 0.35 0.00 0.00 41.96 40.27 1cr7 s TYR 167 CO 0.01 -0.66 0.14 0.34 -1.34 0.00 0.00 175.55 174.04 1cr7 s ASP 168 N 1.07 5.44 0.19 4.32 2.15 -0.03 -1.31 116.67 128.49 1cr7 s ASP 168 Ca -0.01 -0.71 -0.12 0.00 0.43 0.00 0.00 52.55 52.14 1cr7 s ASP 168 Cb -0.14 -1.96 0.16 0.00 -0.30 0.00 0.00 42.92 40.67 1cr7 s ASP 168 CO -0.06 -0.24 1.79 0.77 -0.17 0.00 0.00 175.17 177.26 1cr7 h SER 169 N 8.32 0.39 -0.23 -0.34 4.64 -1.87 0.56 113.55 125.02 1cr7 h SER 169 Ca -0.30 0.03 0.01 0.00 -0.47 0.00 0.00 61.79 61.06 1cr7 h SER 169 Cb 1.13 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 63.16 1cr7 h SER 169 CO 0.62 0.26 0.14 0.77 -0.87 0.00 0.00 176.83 177.75 1cr7 h SER 170 N 0.52 0.22 1.10 4.97 4.64 -1.93 -2.98 113.55 120.09 1cr7 h SER 170 Ca 0.24 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.50 1cr7 h SER 170 Cb 0.15 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 1cr7 h SER 170 CO -0.17 0.17 -0.93 0.71 -0.87 0.00 0.00 176.83 175.73 1cr7 h THR 171 N 0.28 0.25 -2.25 2.95 1.35 -1.99 -3.47 112.91 110.03 1cr7 h THR 171 Ca 0.09 -1.44 -0.18 0.00 -0.55 0.00 0.00 66.41 64.33 1cr7 h THR 171 Cb -0.01 1.83 0.03 0.00 -1.73 0.00 0.00 68.15 68.27 1cr7 h THR 171 CO -0.04 0.14 -0.26 0.29 -0.25 0.00 0.00 175.52 175.40 1cr7 n LYS 172 N -2.86 -2.18 -3.60 4.72 5.02 0.19 -4.87 118.16 114.58 1cr7 n LYS 172 Ca -0.02 0.39 -0.36 0.00 -2.02 0.00 0.00 58.31 56.30 1cr7 n LYS 172 Cb 0.66 -4.18 -0.07 0.00 -0.02 0.00 0.00 35.03 31.42 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 -2.82 5.32 -0.26 -0.18 2.01 -0.99 -0.87 115.64 117.85 1cr7 s THR 173 Ca 0.14 0.49 -0.06 0.00 0.31 0.00 0.00 61.69 62.56 1cr7 s THR 173 Cb -0.06 -3.59 -0.01 0.00 0.01 0.00 0.00 72.50 68.85 1cr7 s THR 173 CO 0.17 0.44 0.04 -0.22 -0.69 0.00 0.00 174.62 174.35 1cr7 s LEU 174 N 0.15 3.43 0.00 4.42 2.96 0.06 -0.85 118.68 128.85 1cr7 s LEU 174 Ca 0.16 -0.48 0.07 0.00 -0.22 0.00 0.00 54.13 53.66 1cr7 s LEU 174 Cb -0.13 -1.84 -0.03 0.00 0.50 0.00 0.00 46.19 44.69 1cr7 s LEU 174 CO 0.04 -0.10 -0.22 -0.44 -1.32 0.00 0.00 176.35 174.32 1cr7 s SER 175 N 1.52 3.46 0.00 3.68 0.01 0.50 -1.05 113.70 121.82 1cr7 s SER 175 Ca 0.04 -0.42 0.03 0.00 1.31 0.00 0.00 55.95 56.91 1cr7 s SER 175 Cb -0.16 -0.50 -0.01 0.00 0.21 0.00 0.00 66.02 65.56 1cr7 s SER 175 CO 0.01 0.30 -0.11 -0.69 0.41 0.00 0.00 173.24 173.16 1cr7 s VAL 176 N -0.75 0.83 -0.13 3.43 1.01 0.28 -1.05 120.40 124.01 1cr7 s VAL 176 Ca 0.12 -0.57 -0.02 0.00 0.00 0.00 0.00 61.98 61.50 1cr7 s VAL 176 Cb -0.10 -0.72 0.04 0.00 0.00 0.00 0.00 36.38 35.61 1cr7 s VAL 176 CO 0.01 0.14 0.02 0.00 0.00 0.00 0.00 175.10 175.28 1cr7 s ALA 177 N -0.42 0.80 -0.27 5.51 0.00 -0.57 -2.13 121.76 124.68 1cr7 s ALA 177 Ca 0.03 -0.37 -0.09 0.00 0.00 0.00 0.00 51.96 51.53 1cr7 s ALA 177 Cb -0.05 -0.94 -0.04 0.00 0.00 0.00 0.00 23.12 22.09 1cr7 s ALA 177 CO -0.00 -0.80 0.13 0.08 0.00 0.00 0.00 175.76 175.17 1cr7 s VAL 178 N 1.94 4.78 -0.48 0.00 1.01 0.17 -1.90 120.40 125.91 1cr7 s VAL 178 Ca 0.02 -0.02 -0.16 0.00 0.00 0.00 0.00 61.98 61.82 1cr7 s VAL 178 Cb -0.14 -3.26 0.07 0.00 0.00 0.00 0.00 36.38 33.05 1cr7 s VAL 178 CO -0.07 0.29 0.45 -0.89 0.00 0.00 0.00 175.10 174.88 1cr7 s THR 179 N 1.68 5.16 0.90 3.92 2.01 0.54 0.02 115.64 129.87 1cr7 s THR 179 Ca 0.07 -0.99 -0.12 0.00 0.31 0.00 0.00 61.69 60.96 1cr7 s THR 179 Cb -0.16 -4.18 0.13 0.00 0.01 0.00 0.00 72.50 68.31 1cr7 s THR 179 CO 0.07 -0.65 1.09 0.20 -0.69 0.00 0.00 174.62 174.65 1cr7 s ASN 180 N 2.70 3.45 0.18 3.53 -0.87 -0.38 -2.74 114.94 120.82 1cr7 s ASN 180 Ca 0.06 1.43 -0.14 0.00 -1.57 0.00 0.00 52.86 52.64 1cr7 s ASN 180 Cb -0.24 -2.11 0.18 0.00 -0.02 0.00 0.00 41.25 39.06 1cr7 s ASN 180 CO 0.07 -2.65 1.70 -0.78 -2.57 0.00 0.00 177.10 172.88 1cr7 h ASP 181 N -1.55 -0.10 0.00 -1.22 3.58 -1.87 -1.86 116.42 113.40 1cr7 h ASP 181 Ca -0.50 0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.05 1cr7 h ASP 181 Cb 1.29 0.16 0.00 0.00 1.72 0.00 0.00 39.33 42.50 1cr7 h ASP 181 CO 0.55 -0.02 0.00 -0.46 -2.88 0.00 0.00 179.24 176.44 1cr7 n ASN 182 N -5.17 0.00 0.00 2.28 2.04 -1.26 -4.86 115.26 108.30 1cr7 n ASN 182 Ca 0.05 -0.69 0.00 0.00 -0.44 0.00 0.00 54.58 53.50 1cr7 n ASN 182 Cb 0.25 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.50 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 0.10 2.86 3.76 4.83 0.00 -0.70 -5.06 105.19 110.99 1cr7 n GLY 183 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 1cr7 n GLY 183 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1cr7 s ASP 184 N -1.21 5.54 0.09 1.61 -0.00 -1.26 -4.75 116.67 116.69 1cr7 s ASP 184 Ca 0.00 2.29 0.07 0.00 -0.00 0.00 0.00 52.55 54.91 1cr7 s ASP 184 Cb 0.00 -2.59 -0.04 0.00 -0.00 0.00 0.00 42.92 40.29 1cr7 s ASP 184 CO 0.00 -1.35 -0.12 0.27 -0.00 0.00 0.00 175.17 173.97 1cr7 s ILE 185 N -1.67 3.21 -0.05 0.77 -4.36 -1.26 -1.24 121.20 116.61 1cr7 s ILE 185 Ca 0.74 -1.27 0.05 0.00 -0.26 0.00 0.00 60.65 59.91 1cr7 s ILE 185 Cb -0.27 -2.47 -0.01 0.00 1.25 0.00 0.00 42.46 40.96 1cr7 s ILE 185 CO 0.31 0.16 -0.21 -0.89 0.24 0.00 0.00 174.94 174.54 1cr7 s THR 186 N -1.15 1.75 0.35 8.37 2.01 0.10 -4.94 115.64 122.14 1cr7 s THR 186 Ca 0.19 -0.91 0.05 0.00 0.31 0.00 0.00 61.69 61.33 1cr7 s THR 186 Cb -0.11 -1.49 -0.07 0.00 0.01 0.00 0.00 72.50 70.85 1cr7 s THR 186 CO 0.11 0.49 0.05 0.42 -0.69 0.00 0.00 174.62 175.01 1cr7 s THR 187 N -0.14 1.38 -0.28 -0.82 -4.23 -1.26 0.44 115.64 110.73 1cr7 s THR 187 Ca -0.02 -2.00 -0.25 0.00 -1.18 0.00 0.00 61.69 58.24 1cr7 s THR 187 Cb -0.12 -2.83 0.14 0.00 1.34 0.00 0.00 72.50 71.04 1cr7 s THR 187 CO 0.02 0.00 1.16 -0.51 -0.54 0.00 0.00 174.62 174.75 1cr7 s ILE 188 N -3.14 0.00 0.07 2.99 2.07 -0.91 -4.97 121.20 117.31 1cr7 s ILE 188 Ca 0.35 0.00 -0.07 0.00 -1.41 0.00 0.00 60.65 59.52 1cr7 s ILE 188 Cb 0.09 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.67 1cr7 s ILE 188 CO 0.16 0.00 0.15 0.00 -1.91 0.00 0.00 174.94 173.34 1cr7 s ALA 189 N 0.10 -0.14 -0.24 1.50 0.00 -1.26 -0.56 121.76 121.17 1cr7 s ALA 189 Ca 0.04 -0.61 -0.26 0.00 0.00 0.00 0.00 51.96 51.12 1cr7 s ALA 189 Cb -0.05 0.38 0.11 0.00 0.00 0.00 0.00 23.12 23.56 1cr7 s ALA 189 CO -0.09 -0.43 0.93 -1.14 0.00 0.00 0.00 175.76 175.03 1cr7 s GLN 190 N -3.43 0.63 -0.37 0.00 2.00 -0.21 -4.98 119.66 113.30 1cr7 s GLN 190 Ca 0.02 0.57 -0.27 0.00 -2.00 0.00 0.00 55.36 53.67 1cr7 s GLN 190 Cb 0.03 0.31 0.02 0.00 0.80 0.00 0.00 33.01 34.17 1cr7 s GLN 190 CO -0.09 -0.11 0.99 0.08 -0.50 0.00 0.00 175.29 175.66 1cr7 s VAL 191 N -0.10 4.52 -0.17 1.34 1.01 -1.26 -0.76 120.40 124.98 1cr7 s VAL 191 Ca 0.00 1.35 -0.01 0.00 0.00 0.00 0.00 61.98 63.32 1cr7 s VAL 191 Cb -0.04 -4.39 0.05 0.00 0.00 0.00 0.00 36.38 32.00 1cr7 s VAL 191 CO -0.02 -0.57 -0.02 -0.69 0.00 0.00 0.00 175.10 173.80 1cr7 s VAL 192 N 3.63 0.89 -1.00 2.92 1.01 -0.05 -4.99 120.40 122.81 1cr7 s VAL 192 Ca 0.41 -0.56 -0.23 0.00 0.00 0.00 0.00 61.98 61.60 1cr7 s VAL 192 Cb -0.11 -1.16 0.05 0.00 0.00 0.00 0.00 36.38 35.16 1cr7 s VAL 192 CO 0.19 0.04 1.43 -0.62 0.00 0.00 0.00 175.10 176.15 1cr7 s ASP 193 N 1.72 6.48 0.39 3.32 3.68 -1.26 -4.71 116.67 126.29 1cr7 s ASP 193 Ca 0.00 -1.39 0.12 0.00 2.13 0.00 0.00 52.55 53.41 1cr7 s ASP 193 Cb -0.16 -2.57 0.92 0.00 -1.45 0.00 0.00 42.92 39.67 1cr7 s ASP 193 CO -0.07 -1.52 1.89 -0.07 0.13 0.00 0.00 175.17 175.52 1cr7 h LEU 194 N 12.77 0.54 0.00 -1.34 3.38 -1.98 -0.85 115.31 127.84 1cr7 h LEU 194 Ca 0.17 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1cr7 h LEU 194 Cb 1.01 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1cr7 h LEU 194 CO 1.41 0.27 0.00 1.17 0.09 0.00 0.00 178.44 181.39 1cr7 n LYS 195 N -4.52 0.25 -0.02 1.13 4.81 -1.26 -2.17 118.16 116.37 1cr7 n LYS 195 Ca 0.16 0.12 0.02 0.00 -0.87 0.00 0.00 58.31 57.75 1cr7 n LYS 195 Cb 0.50 -1.50 0.04 0.00 0.02 0.00 0.00 35.03 34.09 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 -1.26 2.36 0.00 3.14 0.00 -0.33 -4.67 120.51 119.75 1cr7 n ALA 196 Ca 0.08 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.81 1cr7 n ALA 196 Cb 0.12 -0.17 0.00 0.00 0.00 0.00 0.00 19.45 19.40 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 0.17 3.99 -4.08 0.00 4.76 -0.92 -5.08 118.16 117.00 1cr7 n LYS 197 Ca 0.04 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.39 1cr7 n LYS 197 Cb 0.19 -0.55 -0.10 0.00 -1.84 0.00 0.00 35.03 32.72 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 -1.78 2.43 1.04 -0.35 1.43 -1.03 -4.84 118.68 115.58 1cr7 s LEU 198 Ca 0.00 -0.87 -0.13 0.00 -1.03 0.00 0.00 54.13 52.10 1cr7 s LEU 198 Cb 0.00 0.11 0.21 0.00 0.03 0.00 0.00 46.19 46.55 1cr7 s LEU 198 CO 0.00 -0.49 1.08 -2.16 0.23 0.00 0.00 176.35 175.01 1cr7 s PRO 199 N -3.26 0.06 0.55 1.29 0.04 -1.26 -4.77 135.00 127.64 1cr7 s PRO 199 Ca 0.02 0.50 0.26 0.00 0.04 0.00 0.00 61.00 61.83 1cr7 s PRO 199 Cb 0.03 -1.70 1.44 0.00 0.04 0.00 0.00 34.50 34.32 1cr7 s PRO 199 CO -0.07 -2.98 1.99 0.93 0.04 0.00 0.00 177.00 176.92 1cr7 h GLU 200 N -2.07 0.00 -5.04 4.56 5.08 -1.96 -3.41 114.58 111.74 1cr7 h GLU 200 Ca -0.56 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.27 1cr7 h GLU 200 Cb 1.33 0.00 -0.31 0.00 0.50 0.00 0.00 28.75 30.27 1cr7 h GLU 200 CO 0.56 0.00 -0.82 1.03 -1.00 0.00 0.00 179.01 178.78 1cr7 s ARG 201 N -4.91 1.62 0.30 2.33 0.52 -1.26 -1.46 118.95 116.09 1cr7 s ARG 201 Ca -0.05 -0.52 0.05 0.00 -0.52 0.00 0.00 55.73 54.69 1cr7 s ARG 201 Cb 0.19 -1.40 -0.03 0.00 0.52 0.00 0.00 34.95 34.22 1cr7 s ARG 201 CO 0.68 0.18 0.26 0.14 0.02 0.00 0.00 175.30 176.59 1cr7 s VAL 202 N 0.17 0.00 0.07 3.52 -7.23 -0.12 -3.57 120.40 113.24 1cr7 s VAL 202 Ca -0.05 -1.97 0.09 0.00 -1.81 0.00 0.00 61.98 58.24 1cr7 s VAL 202 Cb -0.12 -2.51 -0.03 0.00 0.56 0.00 0.00 36.38 34.28 1cr7 s VAL 202 CO 0.02 0.00 -0.24 -0.54 -0.31 0.00 0.00 175.10 174.03 1cr7 s LYS 203 N -3.56 1.50 -0.08 4.82 1.02 0.22 -0.34 119.74 123.33 1cr7 s LYS 203 Ca 0.40 -1.14 -0.01 0.00 0.02 0.00 0.00 55.97 55.24 1cr7 s LYS 203 Cb 0.03 -1.76 -0.03 0.00 -0.52 0.00 0.00 37.83 35.54 1cr7 s LYS 203 CO 0.24 0.44 -0.01 -0.06 -0.92 0.00 0.00 175.35 175.04 1cr7 s PHE 204 N -0.92 3.13 0.09 3.18 0.40 -1.26 -1.61 117.98 120.99 1cr7 s PHE 204 Ca 0.11 0.17 -0.09 0.00 -0.60 0.00 0.00 56.93 56.51 1cr7 s PHE 204 Cb -0.10 -1.77 0.03 0.00 0.51 0.00 0.00 43.02 41.69 1cr7 s PHE 204 CO 0.03 0.45 0.44 0.41 0.70 0.00 0.00 175.22 177.25 1cr7 n GLY 205 N 2.10 1.06 3.27 4.36 0.00 -0.59 -1.30 105.19 114.08 1cr7 n GLY 205 Ca -0.18 -1.03 -0.24 0.00 0.00 0.00 0.00 46.02 44.57 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 -4.50 1.76 -0.05 1.61 0.40 -0.32 -0.53 117.98 116.35 1cr7 s PHE 206 Ca 0.10 -0.41 -0.11 0.00 -0.60 0.00 0.00 56.93 55.91 1cr7 s PHE 206 Cb -0.01 -0.99 0.02 0.00 0.51 0.00 0.00 43.02 42.55 1cr7 s PHE 206 CO 0.03 0.17 0.26 0.45 0.70 0.00 0.00 175.22 176.82 1cr7 s SER 207 N -1.72 -0.19 0.03 1.36 0.15 -0.64 -0.74 113.70 111.96 1cr7 s SER 207 Ca 0.06 0.23 -0.00 0.00 0.70 0.00 0.00 55.95 56.94 1cr7 s SER 207 Cb -0.10 0.40 -0.02 0.00 -1.71 0.00 0.00 66.02 64.59 1cr7 s SER 207 CO 0.04 -0.27 -0.03 0.00 1.20 0.00 0.00 173.24 174.17 1cr7 s ALA 208 N -0.67 0.24 0.04 5.45 0.00 -0.66 -1.68 121.76 124.48 1cr7 s ALA 208 Ca -0.08 -0.74 -0.04 0.00 0.00 0.00 0.00 51.96 51.10 1cr7 s ALA 208 Cb -0.04 0.17 -0.02 0.00 0.00 0.00 0.00 23.12 23.23 1cr7 s ALA 208 CO 0.02 -0.20 0.07 -1.54 0.00 0.00 0.00 175.76 174.11 1cr7 s SER 209 N -1.79 0.23 0.46 0.00 1.04 -1.24 -2.48 113.70 109.92 1cr7 s SER 209 Ca -0.11 -0.59 0.02 0.00 0.48 0.00 0.00 55.95 55.76 1cr7 s SER 209 Cb -0.06 0.21 -0.02 0.00 0.10 0.00 0.00 66.02 66.25 1cr7 s SER 209 CO -0.03 -0.50 0.06 -0.83 0.98 0.00 0.00 173.24 172.93 1cr7 s GLY 210 N -2.16 2.84 0.00 7.32 0.00 -0.11 -0.78 107.32 114.44 1cr7 s GLY 210 Ca -0.05 -0.78 0.00 0.00 0.00 0.00 0.00 44.72 43.89 1cr7 s GLY 210 CO -0.05 -2.03 0.00 -1.14 0.00 0.00 0.00 173.10 169.88 1cr7 n SER 211 N -1.29 0.60 0.24 1.64 3.41 -0.20 0.05 113.62 118.07 1cr7 n SER 211 Ca -0.13 -0.29 -0.15 0.00 -0.26 0.00 0.00 58.87 58.04 1cr7 n SER 211 Cb 0.66 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.53 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 -0.51 0.00 1.04 6.46 -1.92 -3.13 115.31 117.25 1cr7 h LEU 212 Ca 0.00 -0.07 -0.04 0.00 -0.12 0.00 0.00 57.88 57.65 1cr7 h LEU 212 Cb 0.00 0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.05 1cr7 h LEU 212 CO 0.00 -0.23 -2.03 0.61 -0.62 0.00 0.00 178.44 176.17 1cr7 n GLY 213 N -0.86 -0.98 3.48 3.75 0.00 -1.26 -4.86 105.19 104.46 1cr7 n GLY 213 Ca -0.11 -0.49 -0.43 0.00 0.00 0.00 0.00 46.02 44.99 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 -4.59 1.64 -0.03 -0.02 0.00 -1.26 -2.28 107.32 100.78 1cr7 s GLY 214 Ca -0.08 -1.49 -0.03 0.00 0.00 0.00 0.00 44.72 43.12 1cr7 s GLY 214 CO 0.89 1.68 0.09 0.50 0.00 0.00 0.00 173.10 176.25 1cr7 s ARG 215 N 3.11 0.13 0.18 2.90 0.52 -0.81 -1.03 118.95 123.95 1cr7 s ARG 215 Ca 0.21 0.06 -0.21 0.00 -0.52 0.00 0.00 55.73 55.28 1cr7 s ARG 215 Cb -0.16 0.06 0.05 0.00 0.52 0.00 0.00 34.95 35.42 1cr7 s ARG 215 CO 0.15 -0.02 0.57 1.14 0.02 0.00 0.00 175.30 177.17 1cr7 s GLN 216 N -0.10 1.34 0.02 3.54 -2.07 -1.23 -4.52 119.66 116.64 1cr7 s GLN 216 Ca -0.02 -0.66 -0.30 0.00 -1.82 0.00 0.00 55.36 52.57 1cr7 s GLN 216 Cb -0.01 0.56 -0.04 0.00 -1.09 0.00 0.00 33.01 32.42 1cr7 s GLN 216 CO 0.00 -0.58 1.13 0.42 -1.32 0.00 0.00 175.29 174.94 1cr7 s ILE 217 N -3.81 4.35 -0.22 3.63 1.01 -0.54 -4.84 121.20 120.79 1cr7 s ILE 217 Ca 0.04 1.68 0.01 0.00 0.00 0.00 0.00 60.65 62.38 1cr7 s ILE 217 Cb -0.01 -4.08 0.05 0.00 0.01 0.00 0.00 42.46 38.43 1cr7 s ILE 217 CO -0.08 0.10 -0.07 -1.00 0.00 0.00 0.00 174.94 173.89 1cr7 s HIS 218 N 1.28 2.38 -0.07 3.97 3.76 -1.26 -1.88 115.29 123.48 1cr7 s HIS 218 Ca 0.56 -1.68 0.04 0.00 -0.15 0.00 0.00 55.06 53.83 1cr7 s HIS 218 Cb -0.26 -1.59 -0.01 0.00 1.11 0.00 0.00 32.58 31.83 1cr7 s HIS 218 CO 0.27 -0.76 -0.21 -0.51 -0.85 0.00 0.00 174.74 172.68 1cr7 s LEU 219 N 1.40 2.29 -0.28 0.89 1.43 -0.28 -1.58 118.68 122.56 1cr7 s LEU 219 Ca -0.04 -0.43 -0.09 0.00 -1.03 0.00 0.00 54.13 52.53 1cr7 s LEU 219 Cb -0.18 -1.45 -0.03 0.00 0.03 0.00 0.00 46.19 44.56 1cr7 s LEU 219 CO -0.07 0.24 0.13 -0.63 0.23 0.00 0.00 176.35 176.26 1cr7 s ILE 220 N -0.12 4.76 -0.14 -0.59 -1.09 -0.39 -1.30 121.20 122.32 1cr7 s ILE 220 Ca -0.04 -0.10 -0.03 0.00 -2.23 0.00 0.00 60.65 58.25 1cr7 s ILE 220 Cb -0.14 -3.29 -0.24 0.00 -1.58 0.00 0.00 42.46 37.21 1cr7 s ILE 220 CO 0.04 0.24 0.29 0.54 -1.23 0.00 0.00 174.94 174.82 1cr7 n ARG 221 N 4.99 0.73 -3.45 2.79 1.74 0.12 -2.05 116.66 121.53 1cr7 n ARG 221 Ca -0.15 0.24 -0.12 0.00 -0.77 0.00 0.00 57.85 57.05 1cr7 n ARG 221 Cb 0.51 -1.68 -0.02 0.00 -1.02 0.00 0.00 32.46 30.24 1cr7 n ARG 221 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1cr7 s SER 222 N -6.83 -0.53 -0.25 0.55 1.04 -1.14 -4.46 113.70 102.09 1cr7 s SER 222 Ca -0.22 0.08 -0.15 0.00 0.48 0.00 0.00 55.95 56.14 1cr7 s SER 222 Cb 0.07 0.54 0.07 0.00 0.10 0.00 0.00 66.02 66.80 1cr7 s SER 222 CO 0.75 -0.84 0.61 0.86 0.98 0.00 0.00 173.24 175.60 1cr7 s TRP 223 N -3.28 -0.90 0.08 5.02 -0.00 -0.69 -1.82 118.94 117.34 1cr7 s TRP 223 Ca 0.01 1.86 0.05 0.00 -0.00 0.00 0.00 56.10 58.02 1cr7 s TRP 223 Cb -0.01 0.50 -0.03 0.00 -0.00 0.00 0.00 33.47 33.93 1cr7 s TRP 223 CO -0.09 -0.46 -0.14 -1.54 -0.00 0.00 0.00 176.95 174.72 1cr7 s SER 224 N 1.44 1.68 -0.26 5.86 1.04 -0.70 -0.07 113.70 122.70 1cr7 s SER 224 Ca -0.09 -0.65 -0.24 0.00 0.48 0.00 0.00 55.95 55.45 1cr7 s SER 224 Cb -0.06 -0.05 0.07 0.00 0.10 0.00 0.00 66.02 66.08 1cr7 s SER 224 CO -0.16 -0.10 0.69 0.12 0.98 0.00 0.00 173.24 174.78 1cr7 s PHE 225 N -1.46 -0.76 -0.08 5.02 5.36 -0.19 -2.52 117.98 123.35 1cr7 s PHE 225 Ca -0.00 1.85 -0.04 0.00 -0.96 0.00 0.00 56.93 57.78 1cr7 s PHE 225 Cb -0.09 0.26 0.04 0.00 -0.34 0.00 0.00 43.02 42.89 1cr7 s PHE 225 CO 0.02 -0.37 0.18 0.99 -1.46 0.00 0.00 175.22 174.58 1cr7 s THR 226 N 0.34 -0.04 0.11 0.12 2.01 -0.01 -0.80 115.64 117.37 1cr7 s THR 226 Ca -0.00 0.14 0.05 0.00 0.31 0.00 0.00 61.69 62.19 1cr7 s THR 226 Cb -0.05 -0.29 -0.04 0.00 0.01 0.00 0.00 72.50 72.14 1cr7 s THR 226 CO 0.01 0.06 -0.14 -0.94 -0.69 0.00 0.00 174.62 172.92 1cr7 s SER 227 N 1.01 1.84 -0.14 3.53 1.04 -0.15 -0.58 113.70 120.26 1cr7 s SER 227 Ca -0.08 -0.77 -0.07 0.00 0.48 0.00 0.00 55.95 55.52 1cr7 s SER 227 Cb -0.09 -0.05 0.06 0.00 0.10 0.00 0.00 66.02 66.03 1cr7 s SER 227 CO -0.06 -0.15 0.33 -0.89 0.98 0.00 0.00 173.24 173.46 1cr7 s THR 228 N -1.98 -0.16 -0.13 2.02 2.01 -0.81 -1.88 115.64 114.71 1cr7 s THR 228 Ca 0.06 0.15 0.02 0.00 0.31 0.00 0.00 61.69 62.23 1cr7 s THR 228 Cb -0.06 -0.51 0.00 0.00 0.01 0.00 0.00 72.50 71.95 1cr7 s THR 228 CO 0.02 0.06 -0.20 -0.22 -0.69 0.00 0.00 174.62 173.60 1cr7 s LEU 229 N 1.64 2.28 0.01 4.42 2.96 -0.22 -2.19 118.68 127.58 1cr7 s LEU 229 Ca -0.07 -0.52 -0.30 0.00 -0.22 0.00 0.00 54.13 53.02 1cr7 s LEU 229 Cb -0.10 -1.49 -0.04 0.00 0.50 0.00 0.00 46.19 45.07 1cr7 s LEU 229 CO -0.11 0.12 1.05 -0.63 -1.32 0.00 0.00 176.35 175.46 1cr7 s ILE 230 N 0.60 4.61 -0.92 6.68 1.09 -1.26 -0.87 121.20 131.13 1cr7 s ILE 230 Ca -0.11 1.88 0.00 0.00 -1.10 0.00 0.00 60.65 61.32 1cr7 s ILE 230 Cb -0.16 -4.20 0.32 0.00 -1.06 0.00 0.00 42.46 37.35 1cr7 s ILE 230 CO 0.03 0.13 1.50 0.35 -0.10 0.00 0.00 174.94 176.85 1cr7 n THR 231 N 3.96 5.06 0.00 2.92 -2.24 -1.26 -4.84 114.28 117.89 1cr7 n THR 231 Ca 0.07 -5.84 0.00 0.00 -2.27 0.00 0.00 64.05 56.01 1cr7 n THR 231 Cb 0.49 -1.68 0.00 0.00 -2.10 0.00 0.00 70.33 67.05 1cr7 n THR 231 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57