#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 4.03 -0.09 0.00 2.12 0.10 -4.89 118.70 119.98 1cr7 s GLU 2 Ca 0.00 -0.01 0.01 0.00 0.36 0.00 0.00 54.97 55.33 1cr7 s GLU 2 Cb 0.00 -3.63 0.02 0.00 0.26 0.00 0.00 34.13 30.78 1cr7 s GLU 2 CO 0.00 -0.21 -0.11 0.99 -0.54 0.00 0.00 175.26 175.39 1cr7 s THR 3 N 1.86 1.14 -0.06 -1.70 2.01 -1.26 -0.33 115.64 117.31 1cr7 s THR 3 Ca 0.14 -0.43 0.00 0.00 0.31 0.00 0.00 61.69 61.72 1cr7 s THR 3 Cb -0.16 -1.09 -0.03 0.00 0.01 0.00 0.00 72.50 71.23 1cr7 s THR 3 CO 0.09 0.37 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.68 1cr7 s VAL 4 N 1.14 4.01 -0.28 3.82 1.01 -0.68 -4.94 120.40 124.48 1cr7 s VAL 4 Ca -0.05 -0.44 -0.24 0.00 0.00 0.00 0.00 61.98 61.25 1cr7 s VAL 4 Cb -0.14 -2.69 0.09 0.00 0.00 0.00 0.00 36.38 33.64 1cr7 s VAL 4 CO -0.02 0.54 0.85 -0.94 0.00 0.00 0.00 175.10 175.53 1cr7 s SER 5 N -1.03 -0.64 0.27 3.32 1.04 -1.26 -0.93 113.70 114.48 1cr7 s SER 5 Ca 0.14 1.20 -0.03 0.00 0.48 0.00 0.00 55.95 57.74 1cr7 s SER 5 Cb -0.11 1.23 -0.02 0.00 0.10 0.00 0.00 66.02 67.22 1cr7 s SER 5 CO 0.04 -0.20 0.35 0.72 0.98 0.00 0.00 173.24 175.12 1cr7 s PHE 6 N 0.50 1.01 -0.29 5.02 -0.12 -0.48 -4.99 117.98 118.62 1cr7 s PHE 6 Ca -0.00 -1.23 -0.10 0.00 -0.05 0.00 0.00 56.93 55.55 1cr7 s PHE 6 Cb -0.05 -0.24 0.13 0.00 -0.63 0.00 0.00 43.02 42.23 1cr7 s PHE 6 CO -0.05 -0.92 0.64 1.21 -0.05 0.00 0.00 175.22 176.06 1cr7 s ASN 7 N -3.18 -1.10 -0.27 1.98 2.47 -1.26 -0.85 114.94 112.73 1cr7 s ASN 7 Ca 0.32 1.55 0.02 0.00 0.42 0.00 0.00 52.86 55.17 1cr7 s ASN 7 Cb 0.02 2.22 0.06 0.00 -1.45 0.00 0.00 41.25 42.10 1cr7 s ASN 7 CO 0.16 -0.22 -0.08 -0.36 -3.72 0.00 0.00 177.10 172.88 1cr7 s PHE 8 N 2.83 3.26 -0.83 0.43 0.40 0.31 -4.92 117.98 119.45 1cr7 s PHE 8 Ca -0.06 -2.19 0.24 0.00 -0.60 0.00 0.00 56.93 54.32 1cr7 s PHE 8 Cb -0.12 -1.98 0.33 0.00 0.51 0.00 0.00 43.02 41.76 1cr7 s PHE 8 CO -0.19 -0.86 1.28 0.09 0.70 0.00 0.00 175.22 176.24 1cr7 n ASN 9 N 4.49 0.60 -3.45 1.36 3.02 -1.26 -0.09 115.26 119.92 1cr7 n ASN 9 Ca -0.14 -0.20 -0.12 0.00 -0.03 0.00 0.00 54.58 54.10 1cr7 n ASN 9 Cb 0.43 0.39 -0.02 0.00 -0.61 0.00 0.00 39.78 39.96 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 -3.49 -0.54 0.06 6.41 1.04 -1.26 -4.68 113.70 111.24 1cr7 s SER 10 Ca 0.08 0.07 0.08 0.00 0.48 0.00 0.00 55.95 56.66 1cr7 s SER 10 Cb 0.16 0.55 -0.03 0.00 0.10 0.00 0.00 66.02 66.80 1cr7 s SER 10 CO 0.74 -0.87 -0.23 -0.36 0.98 0.00 0.00 173.24 173.50 1cr7 s PHE 11 N -3.37 1.97 0.01 5.02 0.40 0.73 -5.04 117.98 117.70 1cr7 s PHE 11 Ca 0.01 -0.39 0.01 0.00 -0.60 0.00 0.00 56.93 55.95 1cr7 s PHE 11 Cb -0.01 -1.15 -0.01 0.00 0.51 0.00 0.00 43.02 42.37 1cr7 s PHE 11 CO -0.10 0.15 -0.02 -1.54 0.70 0.00 0.00 175.22 174.40 1cr7 s SER 12 N -1.41 0.25 0.51 1.36 1.04 -1.26 -4.33 113.70 109.86 1cr7 s SER 12 Ca 0.09 -0.18 -0.21 0.00 0.48 0.00 0.00 55.95 56.14 1cr7 s SER 12 Cb -0.09 0.01 -0.07 0.00 0.10 0.00 0.00 66.02 65.97 1cr7 s SER 12 CO 0.03 -0.07 1.13 -1.83 0.98 0.00 0.00 173.24 173.47 1cr7 s GLU 13 N -0.48 3.52 0.00 4.02 -1.05 -1.26 -3.25 118.70 120.19 1cr7 s GLU 13 Ca -0.04 1.63 0.00 0.00 -0.15 0.00 0.00 54.97 56.41 1cr7 s GLU 13 Cb -0.03 -2.13 0.00 0.00 -0.44 0.00 0.00 34.13 31.53 1cr7 s GLU 13 CO -0.00 -0.72 0.00 0.41 0.95 0.00 0.00 175.26 175.90 1cr7 n GLY 14 N 0.20 0.24 3.61 -3.83 0.00 -1.26 -5.04 105.19 99.11 1cr7 n GLY 14 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.23 6.62 0.00 1.61 3.04 -1.20 -4.88 114.94 117.89 1cr7 s ASN 15 Ca 0.00 0.62 0.01 0.00 0.04 0.00 0.00 52.86 53.53 1cr7 s ASN 15 Cb 0.00 -2.55 0.05 0.00 -1.54 0.00 0.00 41.25 37.22 1cr7 s ASN 15 CO 0.00 -1.24 0.99 -0.81 -3.04 0.00 0.00 177.10 173.01 1cr7 n PRO 16 N 7.76 0.00 0.00 0.43 -0.04 -1.26 -2.41 135.00 139.48 1cr7 n PRO 16 Ca 0.13 0.43 0.14 0.00 -0.04 0.00 0.00 63.50 64.16 1cr7 n PRO 16 Cb 0.49 -1.50 0.57 0.00 -0.04 0.00 0.00 33.50 33.02 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 -1.45 2.74 -3.26 0.55 0.00 -1.26 -4.72 120.51 113.11 1cr7 n ALA 17 Ca 0.00 -0.22 -0.23 0.00 0.00 0.00 0.00 53.44 53.00 1cr7 n ALA 17 Cb 0.01 -1.36 -0.16 0.00 0.00 0.00 0.00 19.45 17.95 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 -2.72 1.01 0.02 0.00 1.01 -1.01 -1.03 121.20 118.47 1cr7 s ILE 18 Ca 0.22 -0.44 0.01 0.00 0.00 0.00 0.00 60.65 60.44 1cr7 s ILE 18 Cb 0.19 -0.91 -0.04 0.00 0.01 0.00 0.00 42.46 41.72 1cr7 s ILE 18 CO 0.53 0.32 0.04 0.20 0.00 0.00 0.00 174.94 176.03 1cr7 s ASN 19 N 0.45 5.38 0.09 3.58 0.02 -0.10 -4.80 114.94 119.56 1cr7 s ASN 19 Ca -0.09 0.04 0.09 0.00 -1.02 0.00 0.00 52.86 51.88 1cr7 s ASN 19 Cb -0.13 -1.46 -0.04 0.00 0.02 0.00 0.00 41.25 39.65 1cr7 s ASN 19 CO 0.02 0.25 -0.23 -0.36 0.02 0.00 0.00 177.10 176.80 1cr7 s PHE 20 N -1.19 2.42 -0.02 2.20 0.40 -1.26 -1.33 117.98 119.19 1cr7 s PHE 20 Ca 0.23 -0.33 -0.02 0.00 -0.60 0.00 0.00 56.93 56.20 1cr7 s PHE 20 Cb -0.12 -1.35 0.01 0.00 0.51 0.00 0.00 43.02 42.07 1cr7 s PHE 20 CO 0.14 0.28 0.06 -0.65 0.70 0.00 0.00 175.22 175.75 1cr7 s GLN 21 N -1.77 0.08 2.91 0.44 -0.21 -0.59 -5.01 119.66 115.52 1cr7 s GLN 21 Ca 0.15 0.06 0.00 0.00 0.02 0.00 0.00 55.36 55.59 1cr7 s GLN 21 Cb -0.10 0.04 0.00 0.00 1.00 0.00 0.00 33.01 33.94 1cr7 s GLN 21 CO 0.06 -0.01 0.00 0.41 -2.12 0.00 0.00 175.29 173.63 1cr7 n GLY 22 N 3.00 -0.39 0.59 3.09 0.00 -1.26 -0.87 105.19 109.35 1cr7 n GLY 22 Ca -0.12 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.00 1.02 -4.70 1.61 10.43 0.14 -4.89 116.55 120.16 1cr7 n ASP 23 Ca 0.00 -1.49 -0.36 0.00 2.57 0.00 0.00 54.79 55.51 1cr7 n ASP 23 Cb 0.00 -0.37 0.09 0.00 1.84 0.00 0.00 41.12 42.68 1cr7 n ASP 23 CO 0.00 0.00 0.00 0.52 -1.07 0.00 0.00 177.20 176.65 1cr7 n VAL 24 N 0.22 3.68 -3.66 2.53 0.31 -1.24 -4.37 118.33 115.79 1cr7 n VAL 24 Ca 0.00 -0.38 -0.13 0.00 -0.01 0.00 0.00 64.34 63.82 1cr7 n VAL 24 Cb 0.22 -1.34 -0.08 0.00 -0.91 0.00 0.00 33.84 31.73 1cr7 n VAL 24 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1cr7 s THR 25 N -1.70 -0.00 -0.44 2.52 -1.32 -0.39 -5.00 115.64 109.31 1cr7 s THR 25 Ca 0.78 0.00 -0.14 0.00 -1.21 0.00 0.00 61.69 61.13 1cr7 s THR 25 Cb -0.35 -0.88 0.06 0.00 -1.51 0.00 0.00 72.50 69.83 1cr7 s THR 25 CO 0.45 0.00 0.33 -0.69 -2.21 0.00 0.00 174.62 172.50 1cr7 s VAL 26 N 0.52 4.94 1.03 5.08 1.01 -1.26 -0.22 120.40 131.50 1cr7 s VAL 26 Ca -0.02 -1.06 -0.12 0.00 0.00 0.00 0.00 61.98 60.79 1cr7 s VAL 26 Cb -0.05 -3.91 0.21 0.00 0.00 0.00 0.00 36.38 32.63 1cr7 s VAL 26 CO -0.02 -0.48 1.07 -0.76 0.00 0.00 0.00 175.10 174.91 1cr7 s LEU 27 N 1.59 1.65 0.46 3.92 1.43 -0.63 -4.92 118.68 122.17 1cr7 s LEU 27 Ca 0.04 1.60 0.11 0.00 -1.03 0.00 0.00 54.13 54.85 1cr7 s LEU 27 Cb -0.23 -3.75 1.04 0.00 0.03 0.00 0.00 46.19 43.29 1cr7 s LEU 27 CO 0.06 -3.49 2.09 0.77 0.23 0.00 0.00 176.35 176.01 1cr7 h SER 28 N -2.14 0.27 -0.03 2.29 4.64 -1.98 -2.27 113.55 114.34 1cr7 h SER 28 Ca -0.54 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.77 1cr7 h SER 28 Cb 1.31 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1cr7 h SER 28 CO 0.51 0.19 0.00 -0.46 -0.87 0.00 0.00 176.83 176.20 1cr7 n ASN 29 N -4.50 0.45 0.00 4.97 2.04 -1.26 -4.91 115.26 112.06 1cr7 n ASN 29 Ca 0.01 -1.39 0.00 0.00 -0.44 0.00 0.00 54.58 52.76 1cr7 n ASN 29 Cb 0.11 -0.02 0.00 0.00 -2.53 0.00 0.00 39.78 37.34 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 0.93 0.49 3.94 4.83 0.00 -0.85 -4.92 105.19 109.60 1cr7 n GLY 30 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.72 5.34 -0.12 1.61 0.02 -1.26 -0.19 114.94 117.62 1cr7 s ASN 31 Ca 0.00 0.45 0.00 0.00 -1.02 0.00 0.00 52.86 52.29 1cr7 s ASN 31 Cb 0.00 -1.36 -0.02 0.00 0.02 0.00 0.00 41.25 39.90 1cr7 s ASN 31 CO 0.00 -1.18 -0.13 -0.63 0.02 0.00 0.00 177.10 175.18 1cr7 s ILE 32 N -2.96 3.08 -0.24 0.60 1.01 -0.95 -1.60 121.20 120.13 1cr7 s ILE 32 Ca 0.55 -0.66 -0.10 0.00 0.00 0.00 0.00 60.65 60.44 1cr7 s ILE 32 Cb -0.10 -2.28 -0.05 0.00 0.01 0.00 0.00 42.46 40.04 1cr7 s ILE 32 CO 0.43 0.54 0.14 -1.58 0.00 0.00 0.00 174.94 174.46 1cr7 s GLN 33 N 0.15 3.99 -0.01 2.79 0.74 0.69 -1.61 119.66 126.41 1cr7 s GLN 33 Ca -0.07 -0.31 -0.16 0.00 0.05 0.00 0.00 55.36 54.87 1cr7 s GLN 33 Cb -0.15 -3.48 -0.34 0.00 1.10 0.00 0.00 33.01 30.14 1cr7 s GLN 33 CO 0.05 0.03 0.90 -0.07 -0.55 0.00 0.00 175.29 175.64 1cr7 h LEU 34 N 7.59 0.72-10.23 3.68 3.38 -1.48 -1.03 115.31 117.93 1cr7 h LEU 34 Ca -0.37 -0.93 -0.52 0.00 0.09 0.00 0.00 57.88 56.15 1cr7 h LEU 34 Cb 1.17 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.65 1cr7 h LEU 34 CO 0.64 1.66 -0.35 0.42 0.09 0.00 0.00 178.44 180.91 1cr7 s THR 35 N -2.56 2.33 -0.19 0.22 -4.23 -1.26 -3.13 115.64 106.83 1cr7 s THR 35 Ca -0.12 -1.38 -0.02 0.00 -1.18 0.00 0.00 61.69 59.00 1cr7 s THR 35 Cb 0.04 -2.72 -0.00 0.00 1.34 0.00 0.00 72.50 71.16 1cr7 s THR 35 CO 0.90 0.00 -0.11 0.21 -0.54 0.00 0.00 174.62 175.08 1cr7 s ASN 36 N -4.19 3.86 0.22 3.99 3.84 -1.26 -4.90 114.94 116.50 1cr7 s ASN 36 Ca 0.45 -0.47 -0.07 0.00 0.21 0.00 0.00 52.86 52.98 1cr7 s ASN 36 Cb -0.03 -1.63 0.19 0.00 -0.55 0.00 0.00 41.25 39.23 1cr7 s ASN 36 CO 0.27 0.02 1.83 -0.07 -2.79 0.00 0.00 177.10 176.36 1cr7 h LEU 37 N 7.81 1.10 0.00 3.21 4.07 -1.97 -2.97 115.31 126.56 1cr7 h LEU 37 Ca -0.40 -0.12 0.00 0.00 0.08 0.00 0.00 57.88 57.44 1cr7 h LEU 37 Cb 1.16 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 42.62 1cr7 h LEU 37 CO 0.60 0.90 0.00 0.59 -1.08 0.00 0.00 178.44 179.46 1cr7 n ASN 38 N -4.34 0.00 -4.63 -0.43 3.02 -1.26 -4.81 115.26 102.82 1cr7 n ASN 38 Ca 0.09 -0.26 -0.35 0.00 -0.03 0.00 0.00 54.58 54.04 1cr7 n ASN 38 Cb 0.12 -0.23 -0.10 0.00 -0.61 0.00 0.00 39.78 38.95 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 -2.46 3.60 0.33 3.52 1.02 -1.12 -5.09 119.74 119.53 1cr7 s LYS 39 Ca 0.29 -0.39 -0.27 0.00 0.02 0.00 0.00 55.97 55.62 1cr7 s LYS 39 Cb 0.19 -3.02 -0.09 0.00 -0.52 0.00 0.00 37.83 34.39 1cr7 s LYS 39 CO 0.40 0.41 1.07 0.08 -0.92 0.00 0.00 175.35 176.40 1cr7 s VAL 40 N -0.06 3.60 -1.47 3.17 1.01 -1.26 -3.51 120.40 121.87 1cr7 s VAL 40 Ca 0.05 1.44 -0.07 0.00 0.00 0.00 0.00 61.98 63.40 1cr7 s VAL 40 Cb -0.12 -3.85 0.05 0.00 0.00 0.00 0.00 36.38 32.45 1cr7 s VAL 40 CO 0.02 0.22 0.66 0.59 0.00 0.00 0.00 175.10 176.58 1cr7 n ASN 41 N 0.67 -1.97 -4.75 3.32 5.03 -1.09 -4.91 115.26 111.55 1cr7 n ASN 41 Ca 0.01 -0.93 -0.41 0.00 0.87 0.00 0.00 54.58 54.13 1cr7 n ASN 41 Cb 0.47 -3.35 -0.02 0.00 -1.02 0.00 0.00 39.78 35.86 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 -3.94 6.71 -0.07 6.41 0.15 -1.23 -4.32 113.70 117.40 1cr7 s SER 42 Ca 0.29 2.66 -0.03 0.00 0.70 0.00 0.00 55.95 59.56 1cr7 s SER 42 Cb -0.15 -2.63 0.04 0.00 -1.71 0.00 0.00 66.02 61.57 1cr7 s SER 42 CO 0.87 -0.64 0.15 -0.69 1.20 0.00 0.00 173.24 174.13 1cr7 s VAL 43 N -0.39 -0.10 -0.02 4.45 1.01 -1.26 -0.82 120.40 123.27 1cr7 s VAL 43 Ca 0.55 0.22 0.03 0.00 0.00 0.00 0.00 61.98 62.78 1cr7 s VAL 43 Cb -0.41 -0.25 -0.00 0.00 0.00 0.00 0.00 36.38 35.72 1cr7 s VAL 43 CO 0.46 0.09 -0.10 -0.83 0.00 0.00 0.00 175.10 174.73 1cr7 s GLY 44 N 1.42 0.52 0.02 4.51 0.00 -1.01 -0.68 107.32 112.10 1cr7 s GLY 44 Ca -0.06 -0.40 0.02 0.00 0.00 0.00 0.00 44.72 44.28 1cr7 s GLY 44 CO -0.06 -0.24 -0.06 0.50 0.00 0.00 0.00 173.10 173.24 1cr7 s ARG 45 N -0.04 0.45 -0.04 2.90 0.52 -0.05 -1.88 118.95 120.80 1cr7 s ARG 45 Ca 0.01 -0.43 0.02 0.00 -0.52 0.00 0.00 55.73 54.80 1cr7 s ARG 45 Cb -0.06 -0.33 0.02 0.00 0.52 0.00 0.00 34.95 35.10 1cr7 s ARG 45 CO 0.00 0.08 -0.08 0.54 0.02 0.00 0.00 175.30 175.86 1cr7 s VAL 46 N -0.68 0.74 0.06 3.52 0.11 -0.09 -1.54 120.40 122.53 1cr7 s VAL 46 Ca -0.04 -0.27 0.04 0.00 -2.93 0.00 0.00 61.98 58.79 1cr7 s VAL 46 Cb -0.06 -0.71 -0.03 0.00 -1.53 0.00 0.00 36.38 34.06 1cr7 s VAL 46 CO 0.00 0.26 -0.12 -0.76 -3.33 0.00 0.00 175.10 171.15 1cr7 s LEU 47 N 0.67 2.28 -0.29 2.54 1.43 -0.44 -0.97 118.68 123.90 1cr7 s LEU 47 Ca -0.11 -0.61 -0.29 0.00 -1.03 0.00 0.00 54.13 52.09 1cr7 s LEU 47 Cb -0.13 -0.40 0.01 0.00 0.03 0.00 0.00 46.19 45.70 1cr7 s LEU 47 CO 0.01 -0.13 1.09 -0.47 0.23 0.00 0.00 176.35 177.09 1cr7 s TYR 48 N -1.38 3.15 0.25 0.29 5.04 0.52 -0.92 117.35 124.30 1cr7 s TYR 48 Ca -0.04 1.23 -0.12 0.00 -2.44 0.00 0.00 57.07 55.70 1cr7 s TYR 48 Cb -0.10 -3.59 0.34 0.00 0.35 0.00 0.00 41.96 38.96 1cr7 s TYR 48 CO 0.02 -0.81 1.57 0.00 -1.34 0.00 0.00 175.55 174.99 1cr7 h ALA 49 N 8.02 0.43 -2.51 3.97 0.00 -1.37 -3.40 119.26 124.41 1cr7 h ALA 49 Ca -0.21 0.32 -0.53 0.00 0.00 0.00 0.00 54.91 54.49 1cr7 h ALA 49 Cb 1.06 0.77 0.01 0.00 0.00 0.00 0.00 17.79 19.63 1cr7 h ALA 49 CO 1.02 -0.47 0.65 1.41 0.00 0.00 0.00 179.25 181.85 1cr7 s MET 50 N -6.16 4.37 0.15 0.00 0.00 -1.26 -4.99 119.30 111.41 1cr7 s MET 50 Ca -0.15 1.91 -0.30 0.00 0.00 0.00 0.00 55.69 57.16 1cr7 s MET 50 Cb 0.23 -3.31 -0.07 0.00 0.00 0.00 0.00 34.83 31.68 1cr7 s MET 50 CO 0.75 -0.35 1.16 -1.25 0.00 0.00 0.00 175.02 175.32 1cr7 s PRO 51 N 1.14 4.51 -0.15 4.11 0.04 -1.26 -4.82 135.00 138.58 1cr7 s PRO 51 Ca 0.62 1.78 -0.11 0.00 0.04 0.00 0.00 61.00 63.33 1cr7 s PRO 51 Cb -0.33 -3.29 -0.05 0.00 0.04 0.00 0.00 34.50 30.88 1cr7 s PRO 51 CO 0.29 -0.08 0.21 0.08 0.04 0.00 0.00 177.00 177.55 1cr7 s VAL 52 N 0.20 5.37 -0.92 -0.36 1.01 0.18 -4.86 120.40 121.02 1cr7 s VAL 52 Ca 0.53 0.36 -0.22 0.00 0.00 0.00 0.00 61.98 62.65 1cr7 s VAL 52 Cb -0.30 -3.52 0.07 0.00 0.00 0.00 0.00 36.38 32.63 1cr7 s VAL 52 CO 0.34 0.48 1.29 -0.60 0.00 0.00 0.00 175.10 176.61 1cr7 s ARG 53 N -0.09 3.49 0.19 2.72 3.52 -1.26 -0.91 118.95 126.61 1cr7 s ARG 53 Ca 0.14 -1.16 0.24 0.00 -0.13 0.00 0.00 55.73 54.82 1cr7 s ARG 53 Cb -0.12 -4.96 0.91 0.00 -1.56 0.00 0.00 34.95 29.21 1cr7 s ARG 53 CO 0.03 -2.04 1.74 0.44 -0.81 0.00 0.00 175.30 174.66 1cr7 n ILE 54 N 6.33 0.67 -3.77 4.11 -5.35 0.09 -4.84 119.36 116.60 1cr7 n ILE 54 Ca 0.23 0.00 -0.08 0.00 -0.27 0.00 0.00 62.75 62.63 1cr7 n ILE 54 Cb 0.50 -0.85 -0.02 0.00 -1.74 0.00 0.00 39.64 37.53 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 -3.17 -0.26 -0.07 4.28 1.48 -1.21 -0.95 118.94 119.04 1cr7 s TRP 55 Ca 0.08 -0.15 0.01 0.00 -1.06 0.00 0.00 56.10 54.98 1cr7 s TRP 55 Cb 0.11 0.68 0.02 0.00 -1.16 0.00 0.00 33.47 33.12 1cr7 s TRP 55 CO 0.48 -1.16 -0.07 0.45 -4.06 0.00 0.00 176.95 172.59 1cr7 s SER 56 N -2.89 1.65 0.49 -2.66 0.15 -0.59 -4.72 113.70 105.14 1cr7 s SER 56 Ca 0.09 -0.23 0.28 0.00 0.70 0.00 0.00 55.95 56.79 1cr7 s SER 56 Cb -0.05 -0.68 1.09 0.00 -1.71 0.00 0.00 66.02 64.67 1cr7 s SER 56 CO 0.03 -0.06 1.89 0.77 1.20 0.00 0.00 173.24 177.07 1cr7 h SER 57 N 7.55 0.00 0.61 5.45 4.64 -1.93 0.79 113.55 130.66 1cr7 h SER 57 Ca -0.31 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.98 1cr7 h SER 57 Cb 1.15 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.25 1cr7 h SER 57 CO 0.43 0.11 -0.29 0.00 -0.87 0.00 0.00 176.83 176.21 1cr7 h ALA 58 N 1.89 -1.09 0.00 5.18 0.00 -1.97 -3.34 119.26 119.93 1cr7 h ALA 58 Ca -0.00 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 1cr7 h ALA 58 Cb 0.65 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1cr7 h ALA 58 CO 0.01 -1.03 -1.16 1.79 0.00 0.00 0.00 179.25 178.86 1cr7 h THR 59 N -0.91 0.30 0.00 0.00 1.35 -1.97 -3.48 112.91 108.20 1cr7 h THR 59 Ca -0.08 -1.58 0.00 0.00 -0.55 0.00 0.00 66.41 64.20 1cr7 h THR 59 Cb 0.63 1.83 0.00 0.00 -1.73 0.00 0.00 68.15 68.89 1cr7 h THR 59 CO 0.14 0.17 0.00 0.61 -0.25 0.00 0.00 175.52 176.19 1cr7 n GLY 60 N 1.29 0.83 3.79 5.82 0.00 0.28 -5.03 105.19 112.16 1cr7 n GLY 60 Ca -0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.80 5.06 0.02 1.61 0.02 -1.21 -4.80 114.94 112.84 1cr7 s ASN 61 Ca 0.00 1.78 0.06 0.00 -1.02 0.00 0.00 52.86 53.67 1cr7 s ASN 61 Cb 0.00 -2.52 -0.02 0.00 0.02 0.00 0.00 41.25 38.73 1cr7 s ASN 61 CO 0.00 -1.66 -0.17 -0.69 0.02 0.00 0.00 177.10 174.60 1cr7 s VAL 62 N -2.81 1.36 0.50 1.60 1.01 -1.26 -1.54 120.40 119.25 1cr7 s VAL 62 Ca 0.61 -0.97 -0.05 0.00 0.00 0.00 0.00 61.98 61.57 1cr7 s VAL 62 Cb -0.16 -1.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.01 1cr7 s VAL 62 CO 0.51 0.19 0.80 0.00 0.00 0.00 0.00 175.10 176.60 1cr7 s ALA 63 N -0.68 3.40 0.17 5.51 0.00 -0.13 -4.71 121.76 125.32 1cr7 s ALA 63 Ca 0.05 -0.56 0.08 0.00 0.00 0.00 0.00 51.96 51.52 1cr7 s ALA 63 Cb -0.08 -2.57 -0.04 0.00 0.00 0.00 0.00 23.12 20.43 1cr7 s ALA 63 CO 0.01 -0.43 -0.04 -1.12 0.00 0.00 0.00 175.76 174.17 1cr7 s SER 64 N -4.15 4.57 0.05 0.00 0.01 -0.36 -4.26 113.70 109.56 1cr7 s SER 64 Ca 0.49 -0.45 -0.11 0.00 1.31 0.00 0.00 55.95 57.19 1cr7 s SER 64 Cb -0.10 -0.91 0.01 0.00 0.21 0.00 0.00 66.02 65.23 1cr7 s SER 64 CO 0.45 0.10 0.23 0.72 0.41 0.00 0.00 173.24 175.15 1cr7 s PHE 65 N -1.66 0.00 -0.07 2.43 -0.12 -0.74 -0.80 117.98 117.02 1cr7 s PHE 65 Ca 0.26 -0.21 0.00 0.00 -0.05 0.00 0.00 56.93 56.93 1cr7 s PHE 65 Cb -0.09 0.01 0.02 0.00 -0.63 0.00 0.00 43.02 42.33 1cr7 s PHE 65 CO 0.17 -0.47 -0.04 -1.17 -0.05 0.00 0.00 175.22 173.66 1cr7 s LEU 66 N -2.14 1.07 0.02 -1.99 2.96 -0.34 -1.39 118.68 116.87 1cr7 s LEU 66 Ca -0.04 -0.16 0.00 0.00 -0.22 0.00 0.00 54.13 53.71 1cr7 s LEU 66 Cb -0.01 -0.55 -0.02 0.00 0.50 0.00 0.00 46.19 46.12 1cr7 s LEU 66 CO -0.04 -0.11 -0.04 0.28 -1.32 0.00 0.00 176.35 175.12 1cr7 s THR 67 N 1.40 0.17 0.10 3.68 -1.32 -0.14 -2.00 115.64 117.53 1cr7 s THR 67 Ca -0.03 -0.93 0.04 0.00 -1.21 0.00 0.00 61.69 59.56 1cr7 s THR 67 Cb -0.13 -0.31 -0.04 0.00 -1.51 0.00 0.00 72.50 70.51 1cr7 s THR 67 CO -0.03 -0.48 -0.10 -0.44 -2.21 0.00 0.00 174.62 171.36 1cr7 s SER 68 N -1.47 1.43 -0.23 8.08 0.01 -0.82 0.03 113.70 120.73 1cr7 s SER 68 Ca -0.15 -0.81 -0.29 0.00 1.31 0.00 0.00 55.95 56.01 1cr7 s SER 68 Cb -0.10 0.01 0.15 0.00 0.21 0.00 0.00 66.02 66.29 1cr7 s SER 68 CO -0.01 -0.27 1.15 0.72 0.41 0.00 0.00 173.24 175.25 1cr7 s PHE 69 N -2.45 -0.26 -0.04 2.43 -0.12 -0.70 -1.63 117.98 115.22 1cr7 s PHE 69 Ca 0.05 0.49 0.05 0.00 -0.05 0.00 0.00 56.93 57.48 1cr7 s PHE 69 Cb -0.03 0.45 -0.01 0.00 -0.63 0.00 0.00 43.02 42.81 1cr7 s PHE 69 CO -0.00 -0.21 -0.20 -1.54 -0.05 0.00 0.00 175.22 173.22 1cr7 s SER 70 N -0.77 2.47 0.40 1.98 1.04 -1.14 -1.59 113.70 116.09 1cr7 s SER 70 Ca 0.03 -0.40 0.03 0.00 0.48 0.00 0.00 55.95 56.09 1cr7 s SER 70 Cb -0.02 -0.59 -0.03 0.00 0.10 0.00 0.00 66.02 65.48 1cr7 s SER 70 CO -0.04 0.20 0.10 0.72 0.98 0.00 0.00 173.24 175.20 1cr7 s PHE 71 N -0.14 1.84 -0.28 5.02 -0.12 -1.00 -0.33 117.98 122.97 1cr7 s PHE 71 Ca -0.01 -1.17 -0.15 0.00 -0.05 0.00 0.00 56.93 55.55 1cr7 s PHE 71 Cb -0.11 -1.23 0.08 0.00 -0.63 0.00 0.00 43.02 41.13 1cr7 s PHE 71 CO 0.02 -0.17 0.67 -2.00 -0.05 0.00 0.00 175.22 173.69 1cr7 s GLU 72 N -3.77 0.68 0.03 1.99 2.12 -0.38 -1.13 118.70 118.23 1cr7 s GLU 72 Ca 0.25 1.22 0.04 0.00 0.36 0.00 0.00 54.97 56.85 1cr7 s GLU 72 Cb 0.04 0.19 -0.03 0.00 0.26 0.00 0.00 34.13 34.58 1cr7 s GLU 72 CO 0.14 -0.15 -0.08 -1.64 -0.54 0.00 0.00 175.26 172.98 1cr7 s MET 73 N 1.73 2.43 -0.04 4.30 -1.94 -1.26 -0.93 119.30 123.59 1cr7 s MET 73 Ca -0.10 -0.80 -0.02 0.00 -1.71 0.00 0.00 55.69 53.06 1cr7 s MET 73 Cb -0.06 -2.43 0.02 0.00 2.01 0.00 0.00 34.83 34.37 1cr7 s MET 73 CO -0.20 0.58 0.09 0.21 -0.01 0.00 0.00 175.02 175.69 1cr7 s LYS 74 N -1.57 0.06 0.64 2.03 2.20 -0.63 -0.15 119.74 122.31 1cr7 s LYS 74 Ca 0.18 0.21 -0.17 0.00 -0.36 0.00 0.00 55.97 55.83 1cr7 s LYS 74 Cb -0.11 -0.10 -0.01 0.00 -1.51 0.00 0.00 37.83 36.10 1cr7 s LYS 74 CO 0.09 -0.10 1.16 -0.51 -0.36 0.00 0.00 175.35 175.63 1cr7 s ASP 75 N 0.66 5.02 0.04 1.43 -0.00 -1.26 -0.94 116.67 121.62 1cr7 s ASP 75 Ca -0.05 2.22 0.02 0.00 -0.00 0.00 0.00 52.55 54.75 1cr7 s ASP 75 Cb -0.07 -2.58 -0.02 0.00 -0.00 0.00 0.00 42.92 40.25 1cr7 s ASP 75 CO -0.03 -1.70 -0.08 0.27 -0.00 0.00 0.00 175.17 173.63 1cr7 s ILE 76 N -1.95 0.59 0.54 0.77 -4.36 -1.26 -4.82 121.20 110.70 1cr7 s ILE 76 Ca 0.73 -1.04 -0.20 0.00 -0.26 0.00 0.00 60.65 59.87 1cr7 s ILE 76 Cb -0.26 -0.64 -0.07 0.00 1.25 0.00 0.00 42.46 42.74 1cr7 s ILE 76 CO 0.37 -0.33 0.89 1.17 0.24 0.00 0.00 174.94 177.29 1cr7 n LYS 77 N 1.55 0.97 0.00 0.37 3.00 -1.26 -3.27 118.16 119.52 1cr7 n LYS 77 Ca -0.22 0.36 0.00 0.00 -0.00 0.00 0.00 58.31 58.45 1cr7 n LYS 77 Cb 0.55 -2.03 0.00 0.00 0.00 0.00 0.00 35.03 33.54 1cr7 n LYS 77 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1cr7 n ASP 78 N -0.10 0.00 -4.70 3.14 8.00 -1.26 -4.95 116.55 116.67 1cr7 n ASP 78 Ca 0.12 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.33 1cr7 n ASP 78 Cb 0.45 -0.56 -0.07 0.00 -0.02 0.00 0.00 41.12 40.91 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 -0.68 3.01 -0.02 1.24 1.51 -1.20 -5.04 117.35 116.17 1cr7 s TYR 79 Ca 0.00 -0.03 -0.26 0.00 -1.01 0.00 0.00 57.07 55.76 1cr7 s TYR 79 Cb 0.00 -1.52 -0.04 0.00 -0.11 0.00 0.00 41.96 40.29 1cr7 s TYR 79 CO 0.00 0.49 0.83 -0.51 -1.11 0.00 0.00 175.55 175.25 1cr7 s ASP 80 N -2.49 7.19 -0.19 2.29 -0.00 -0.41 -4.69 116.67 118.37 1cr7 s ASP 80 Ca 0.27 1.43 -0.30 0.00 -0.00 0.00 0.00 52.55 53.95 1cr7 s ASP 80 Cb -0.11 -2.49 -0.07 0.00 -0.00 0.00 0.00 42.92 40.24 1cr7 s ASP 80 CO 0.19 -0.16 2.15 -2.65 -0.00 0.00 0.00 175.17 174.70 1cr7 n PRO 81 N 3.68 1.96 -3.55 8.23 -0.02 -1.26 -2.37 135.00 141.67 1cr7 n PRO 81 Ca 0.02 0.59 -0.13 0.00 -2.02 0.00 0.00 63.50 61.96 1cr7 n PRO 81 Cb 0.51 -3.01 -0.04 0.00 -0.02 0.00 0.00 33.50 30.94 1cr7 n PRO 81 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1cr7 s ALA 82 N 7.16 -1.31 -0.35 3.55 0.00 -1.26 -4.69 121.76 124.86 1cr7 s ALA 82 Ca 1.00 0.44 0.05 0.00 0.00 0.00 0.00 51.96 53.45 1cr7 s ALA 82 Cb -0.48 0.57 -0.03 0.00 0.00 0.00 0.00 23.12 23.18 1cr7 s ALA 82 CO 0.40 -0.60 0.32 -0.25 0.00 0.00 0.00 175.76 175.64 1cr7 n ASP 83 N 0.08 0.53 0.00 0.00 10.43 -0.87 -3.72 116.55 123.01 1cr7 n ASP 83 Ca -0.17 -0.77 0.00 0.00 2.57 0.00 0.00 54.79 56.42 1cr7 n ASP 83 Cb 0.62 0.75 0.00 0.00 1.84 0.00 0.00 41.12 44.34 1cr7 n ASP 83 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1cr7 n GLY 84 N 0.92 1.24 3.40 0.44 0.00 -1.26 -1.75 105.19 108.17 1cr7 n GLY 84 Ca 0.01 -2.27 -0.29 0.00 0.00 0.00 0.00 46.02 43.47 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 -1.25 2.33 -0.03 -0.61 1.01 -0.59 -3.46 121.20 118.61 1cr7 s ILE 85 Ca 0.00 -1.62 0.01 0.00 0.00 0.00 0.00 60.65 59.04 1cr7 s ILE 85 Cb 0.00 -2.01 0.02 0.00 0.01 0.00 0.00 42.46 40.48 1cr7 s ILE 85 CO 0.00 0.17 -0.02 -0.51 0.00 0.00 0.00 174.94 174.58 1cr7 s ILE 86 N -1.00 0.32 -0.24 2.92 2.07 -0.37 0.24 121.20 125.14 1cr7 s ILE 86 Ca 0.14 -0.03 -0.11 0.00 -1.41 0.00 0.00 60.65 59.24 1cr7 s ILE 86 Cb -0.10 -0.36 -0.05 0.00 0.13 0.00 0.00 42.46 42.08 1cr7 s ILE 86 CO 0.06 0.16 0.17 0.12 -1.91 0.00 0.00 174.94 173.53 1cr7 s PHE 87 N 0.75 3.31 0.21 3.50 5.36 -0.48 -1.25 117.98 129.38 1cr7 s PHE 87 Ca -0.08 0.23 0.01 0.00 -0.96 0.00 0.00 56.93 56.12 1cr7 s PHE 87 Cb -0.12 -2.28 -0.05 0.00 -0.34 0.00 0.00 43.02 40.24 1cr7 s PHE 87 CO -0.01 0.06 0.07 -0.59 -1.46 0.00 0.00 175.22 173.29 1cr7 s PHE 88 N 1.09 1.33 -0.09 10.12 -0.12 0.50 -0.39 117.98 130.41 1cr7 s PHE 88 Ca 0.08 -1.18 0.01 0.00 -0.05 0.00 0.00 56.93 55.78 1cr7 s PHE 88 Cb -0.14 -0.75 0.02 0.00 -0.63 0.00 0.00 43.02 41.53 1cr7 s PHE 88 CO 0.05 -0.37 -0.10 0.42 -0.05 0.00 0.00 175.22 175.17 1cr7 s ILE 89 N -3.83 1.07 0.21 -4.49 1.01 0.16 -1.94 121.20 113.39 1cr7 s ILE 89 Ca 0.33 -0.37 -0.05 0.00 0.00 0.00 0.00 60.65 60.57 1cr7 s ILE 89 Cb 0.07 -1.04 -0.03 0.00 0.01 0.00 0.00 42.46 41.47 1cr7 s ILE 89 CO 0.10 0.36 0.23 0.00 0.00 0.00 0.00 174.94 175.63 1cr7 s ALA 90 N 1.27 0.70 0.60 9.38 0.00 -0.96 -1.28 121.76 131.46 1cr7 s ALA 90 Ca -0.03 -1.42 -0.19 0.00 0.00 0.00 0.00 51.96 50.32 1cr7 s ALA 90 Cb -0.14 1.26 -0.05 0.00 0.00 0.00 0.00 23.12 24.19 1cr7 s ALA 90 CO -0.03 -0.67 0.99 -2.30 0.00 0.00 0.00 175.76 173.75 1cr7 n PRO 91 N -0.29 0.93 0.28 0.00 -0.02 -1.26 -0.95 135.00 133.68 1cr7 n PRO 91 Ca 0.00 0.36 0.19 0.00 -2.02 0.00 0.00 63.50 62.03 1cr7 n PRO 91 Cb 0.65 -2.19 1.01 0.00 -0.02 0.00 0.00 33.50 32.95 1cr7 n PRO 91 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1cr7 h GLU 92 N 0.54 0.00 -0.64 -0.52 4.11 -1.84 -0.95 114.58 115.28 1cr7 h GLU 92 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 1cr7 h GLU 92 Cb 1.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.61 1cr7 h GLU 92 CO 0.51 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.19 1cr7 n ASP 93 N -2.80 4.01 -4.77 3.06 5.68 -1.26 -4.89 116.55 115.58 1cr7 n ASP 93 Ca -0.02 -2.43 -0.41 0.00 -0.50 0.00 0.00 54.79 51.42 1cr7 n ASP 93 Cb 0.06 -0.54 -0.01 0.00 -1.14 0.00 0.00 41.12 39.48 1cr7 n ASP 93 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1cr7 s THR 94 N -1.91 2.44 0.07 2.12 -1.32 -0.36 -5.04 115.64 111.64 1cr7 s THR 94 Ca 0.40 0.43 -0.07 0.00 -1.21 0.00 0.00 61.69 61.24 1cr7 s THR 94 Cb 0.27 -3.27 -0.01 0.00 -1.51 0.00 0.00 72.50 67.98 1cr7 s THR 94 CO 0.18 0.10 0.15 -1.10 -2.21 0.00 0.00 174.62 171.73 1cr7 s GLN 95 N -1.59 0.75 0.17 7.08 -1.52 -1.26 -5.08 119.66 118.22 1cr7 s GLN 95 Ca 0.53 -0.92 -0.33 0.00 -1.95 0.00 0.00 55.36 52.68 1cr7 s GLN 95 Cb -0.43 0.30 -0.13 0.00 -0.22 0.00 0.00 33.01 32.53 1cr7 s GLN 95 CO 0.55 -0.22 1.61 -0.89 -0.25 0.00 0.00 175.29 176.09 1cr7 n ILE 96 N 0.18 0.00 -1.61 1.08 5.41 -1.26 -4.86 119.36 118.31 1cr7 n ILE 96 Ca -0.16 -0.00 -0.46 0.00 1.00 0.00 0.00 62.75 63.13 1cr7 n ILE 96 Cb 0.61 -1.65 -0.02 0.00 -0.71 0.00 0.00 39.64 37.87 1cr7 n ILE 96 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1cr7 n PRO 97 N 3.56 1.45 -1.91 0.38 -0.02 -1.26 -4.86 135.00 132.34 1cr7 n PRO 97 Ca 0.17 0.51 -0.42 0.00 -2.02 0.00 0.00 63.50 61.74 1cr7 n PRO 97 Cb 0.30 -1.98 -0.03 0.00 -0.02 0.00 0.00 33.50 31.77 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 -0.61 3.79 -0.74 3.55 0.00 -1.26 -1.75 121.76 124.74 1cr7 s ALA 98 Ca 0.65 1.39 -0.00 0.00 0.00 0.00 0.00 51.96 53.99 1cr7 s ALA 98 Cb -0.73 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 18.75 1cr7 s ALA 98 CO 0.56 -0.81 0.06 0.41 0.00 0.00 0.00 175.76 175.98 1cr7 n GLY 99 N 3.79 0.04 3.70 0.00 0.00 -1.26 -4.95 105.19 106.51 1cr7 n GLY 99 Ca 0.14 -0.49 -0.43 0.00 0.00 0.00 0.00 46.02 45.24 1cr7 n GLY 99 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1cr7 n SER 100 N 0.22 3.88 -0.73 1.61 2.88 -0.72 -4.89 113.62 115.87 1cr7 n SER 100 Ca -0.09 1.02 0.06 0.00 -1.33 0.00 0.00 58.87 58.53 1cr7 n SER 100 Cb 0.57 -1.53 0.17 0.00 -0.75 0.00 0.00 64.21 62.67 1cr7 n SER 100 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1cr7 n ILE 101 N 4.30 0.57 -3.04 2.46 -5.35 -1.26 -5.02 119.36 112.01 1cr7 n ILE 101 Ca 0.17 -0.52 0.00 0.00 -0.27 0.00 0.00 62.75 62.14 1cr7 n ILE 101 Cb 0.35 0.21 0.00 0.00 -1.74 0.00 0.00 39.64 38.46 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 1.04 2.84 7.00 3.28 0.00 -1.26 -4.73 105.19 113.37 1cr7 n GLY 102 Ca 0.13 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 3.25 0.00 -0.02 0.00 0.42 -2.68 105.19 106.16 1cr7 n GLY 103 Ca 0.00 -0.20 0.08 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.60 0.00 -0.02 0.00 -1.26 -1.93 105.19 101.38 1cr7 n GLY 104 Ca 0.00 -0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.90 0.00 -0.99 2.61 -2.24 -1.09 -4.91 114.28 106.76 1cr7 n THR 105 Ca 0.12 -0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.83 1cr7 n THR 105 Cb 0.05 0.58 -0.03 0.00 -2.10 0.00 0.00 70.33 68.84 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 -1.50 -0.08 0.00 3.22 4.77 -0.81 -1.62 117.00 120.98 1cr7 n LEU 106 Ca 0.05 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 1cr7 n LEU 106 Cb 0.33 -1.94 0.00 0.00 -2.33 0.00 0.00 43.42 39.48 1cr7 n LEU 106 CO 0.39 -0.69 0.00 0.61 -1.33 0.00 0.00 177.39 176.36 1cr7 n GLY 107 N 0.26 0.70 0.00 -0.72 0.00 -1.26 -4.08 105.19 100.09 1cr7 n GLY 107 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.55 0.23 -4.04 1.61 0.24 -0.64 -4.49 118.33 108.69 1cr7 n VAL 108 Ca 0.00 -0.30 -0.07 0.00 -2.04 0.00 0.00 64.34 61.93 1cr7 n VAL 108 Cb 0.00 1.13 -0.09 0.00 -1.47 0.00 0.00 33.84 33.41 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 -0.23 0.41 0.68 -1.34 1.04 -1.03 -4.54 113.70 108.69 1cr7 s SER 109 Ca 0.00 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 55.51 1cr7 s SER 109 Cb 0.00 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.35 1cr7 s SER 109 CO 0.00 -0.62 0.00 -0.90 0.98 0.00 0.00 173.24 172.70 1cr7 n ASP 110 N 0.11 -0.07 0.19 7.02 5.68 0.20 -4.81 116.55 124.86 1cr7 n ASP 110 Ca -0.14 -0.64 0.05 0.00 -0.50 0.00 0.00 54.79 53.55 1cr7 n ASP 110 Cb 0.61 0.00 0.48 0.00 -1.14 0.00 0.00 41.12 41.08 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 -0.73 1.13 -0.01 2.12 2.02 -1.93 0.06 112.91 115.57 1cr7 h THR 111 Ca 0.00 -0.56 0.00 0.00 0.77 0.00 0.00 66.41 66.62 1cr7 h THR 111 Cb 0.00 1.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1cr7 h THR 111 CO 0.00 0.17 0.00 0.29 0.37 0.00 0.00 175.52 176.35 1cr7 n LYS 112 N -4.35 1.09 -2.13 6.66 4.76 -1.26 -4.87 118.16 118.06 1cr7 n LYS 112 Ca -0.02 -0.13 -0.09 0.00 -2.87 0.00 0.00 58.31 55.20 1cr7 n LYS 112 Cb 0.22 -1.46 -0.01 0.00 -1.84 0.00 0.00 35.03 31.94 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 0.99 0.05 3.73 0.72 0.00 0.01 -4.92 105.19 105.78 1cr7 n GLY 113 Ca 0.22 -0.53 -0.23 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.43 3.37 0.00 4.61 0.00 -1.26 -0.97 121.76 125.09 1cr7 s ALA 114 Ca 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 51.96 50.43 1cr7 s ALA 114 Cb 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 23.12 22.08 1cr7 s ALA 114 CO 0.00 0.27 0.00 0.41 0.00 0.00 0.00 175.76 176.44 1cr7 n GLY 115 N -0.99 -1.24 2.70 0.00 0.00 -0.99 -0.63 105.19 104.04 1cr7 n GLY 115 Ca -0.07 -0.81 -0.28 0.00 0.00 0.00 0.00 46.02 44.86 1cr7 n GLY 115 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1cr7 n HIS 116 N 0.13 2.97 -3.83 1.61 -0.00 -1.26 -4.52 115.22 110.32 1cr7 n HIS 116 Ca 0.00 -4.18 -0.10 0.00 0.46 0.00 0.00 57.72 53.91 1cr7 n HIS 116 Cb 0.00 -0.54 -0.05 0.00 -0.12 0.00 0.00 29.99 29.28 1cr7 n HIS 116 CO 0.00 0.00 0.00 -0.59 0.46 0.00 0.00 176.34 176.21 1cr7 s PHE 117 N -1.65 0.11 -0.03 1.57 -0.12 -1.26 -4.23 117.98 112.37 1cr7 s PHE 117 Ca 0.30 -0.47 0.04 0.00 -0.05 0.00 0.00 56.93 56.75 1cr7 s PHE 117 Cb 0.03 0.18 -0.00 0.00 -0.63 0.00 0.00 43.02 42.59 1cr7 s PHE 117 CO -0.12 -0.81 -0.14 0.08 -0.05 0.00 0.00 175.22 174.17 1cr7 s VAL 118 N -3.91 1.19 0.13 -2.49 1.01 -0.41 0.65 120.40 116.57 1cr7 s VAL 118 Ca 0.12 -0.60 -0.24 0.00 0.00 0.00 0.00 61.98 61.26 1cr7 s VAL 118 Cb 0.01 -1.02 0.08 0.00 0.00 0.00 0.00 36.38 35.45 1cr7 s VAL 118 CO -0.02 0.35 1.10 -0.83 0.00 0.00 0.00 175.10 175.69 1cr7 s GLY 119 N -0.01 0.01 -0.21 4.51 0.00 0.97 -0.66 107.32 111.93 1cr7 s GLY 119 Ca -0.01 -0.17 0.01 0.00 0.00 0.00 0.00 44.72 44.55 1cr7 s GLY 119 CO 0.01 2.80 -0.16 0.14 0.00 0.00 0.00 173.10 175.90 1cr7 s VAL 120 N -2.23 2.21 0.02 1.40 1.01 0.48 -0.37 120.40 122.92 1cr7 s VAL 120 Ca 0.22 -1.13 -0.00 0.00 0.00 0.00 0.00 61.98 61.07 1cr7 s VAL 120 Cb -0.02 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 1cr7 s VAL 120 CO 0.03 0.34 0.12 -1.83 0.00 0.00 0.00 175.10 173.76 1cr7 s GLU 121 N 1.25 3.16 -0.63 2.72 -1.05 -0.61 -1.39 118.70 122.16 1cr7 s GLU 121 Ca 0.01 -0.48 0.05 0.00 -0.15 0.00 0.00 54.97 54.39 1cr7 s GLU 121 Cb -0.15 -2.91 0.16 0.00 -0.44 0.00 0.00 34.13 30.79 1cr7 s GLU 121 CO -0.10 0.63 0.43 -0.06 0.95 0.00 0.00 175.26 177.12 1cr7 s PHE 122 N -1.30 3.10 -0.27 4.83 0.40 0.14 -2.11 117.98 122.78 1cr7 s PHE 122 Ca 0.27 -3.13 -0.23 0.00 -0.60 0.00 0.00 56.93 53.23 1cr7 s PHE 122 Cb -0.12 -2.43 -0.01 0.00 0.51 0.00 0.00 43.02 40.97 1cr7 s PHE 122 CO 0.18 -0.62 0.77 0.34 0.70 0.00 0.00 175.22 176.59 1cr7 s ASP 123 N -1.01 6.72 -0.26 1.36 3.68 -0.62 -1.54 116.67 124.99 1cr7 s ASP 123 Ca 0.25 0.84 0.13 0.00 2.13 0.00 0.00 52.55 55.89 1cr7 s ASP 123 Cb -0.07 -2.40 0.63 0.00 -1.45 0.00 0.00 42.92 39.62 1cr7 s ASP 123 CO -0.14 -0.51 1.60 0.35 0.13 0.00 0.00 175.17 176.59 1cr7 n THR 124 N 5.33 2.62 -3.70 1.71 -2.24 -0.72 -1.84 114.28 115.44 1cr7 n THR 124 Ca 0.03 -1.93 -0.11 0.00 -2.27 0.00 0.00 64.05 59.78 1cr7 n THR 124 Cb 0.48 -0.31 -0.11 0.00 -2.10 0.00 0.00 70.33 68.29 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 -2.97 -0.58 -0.61 4.78 5.04 -1.26 -4.61 117.35 117.14 1cr7 s TYR 125 Ca 0.48 1.24 -0.25 0.00 -2.44 0.00 0.00 57.07 56.11 1cr7 s TYR 125 Cb 0.40 0.25 0.05 0.00 0.35 0.00 0.00 41.96 43.00 1cr7 s TYR 125 CO 0.09 -0.33 1.03 0.45 -1.34 0.00 0.00 175.55 175.45 1cr7 s SER 126 N 1.37 6.28 -0.58 4.32 0.15 -1.26 -4.99 113.70 118.98 1cr7 s SER 126 Ca -0.09 -0.49 -0.15 0.00 0.70 0.00 0.00 55.95 55.92 1cr7 s SER 126 Cb -0.08 -2.46 0.14 0.00 -1.71 0.00 0.00 66.02 61.90 1cr7 s SER 126 CO -0.12 -1.41 0.53 0.20 1.20 0.00 0.00 173.24 173.64 1cr7 s ASN 127 N 3.23 6.24 0.64 5.45 -0.87 -1.26 -4.92 114.94 123.45 1cr7 s ASN 127 Ca 0.30 -1.96 0.38 0.00 -1.57 0.00 0.00 52.86 50.01 1cr7 s ASN 127 Cb -0.12 -2.19 2.12 0.00 -0.02 0.00 0.00 41.25 41.03 1cr7 s ASN 127 CO 0.17 -0.79 2.28 0.77 -2.57 0.00 0.00 177.10 176.95 1cr7 h SER 128 N 8.65 0.00 0.70 -1.22 4.64 -1.94 0.39 113.55 124.78 1cr7 h SER 128 Ca -0.22 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.08 1cr7 h SER 128 Cb 1.09 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1cr7 h SER 128 CO 0.98 0.00 -0.10 1.05 -0.87 0.00 0.00 176.83 177.88 1cr7 h GLU 129 N 0.00 0.00 -0.25 4.77 9.09 -1.97 -2.62 114.58 123.60 1cr7 h GLU 129 Ca 0.01 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.42 1cr7 h GLU 129 Cb 0.10 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.20 1cr7 h GLU 129 CO -0.00 0.10 0.00 0.66 0.05 0.00 0.00 179.01 179.82 1cr7 n TYR 130 N -3.34 0.66 -3.70 2.06 0.53 0.11 -4.99 117.16 108.49 1cr7 n TYR 130 Ca -0.01 -0.75 -0.26 0.00 -1.02 0.00 0.00 57.90 55.87 1cr7 n TYR 130 Cb 0.30 -0.19 0.06 0.00 -1.03 0.00 0.00 39.34 38.48 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 -0.26 -5.70 -4.77 7.72 3.02 -0.99 -4.27 115.26 110.02 1cr7 n ASN 131 Ca 0.17 -0.62 -0.39 0.00 -0.03 0.00 0.00 54.58 53.70 1cr7 n ASN 131 Cb 0.69 -4.66 -0.04 0.00 -0.61 0.00 0.00 39.78 35.16 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 -3.36 7.00 0.46 6.41 1.01 -1.08 -4.91 116.67 122.20 1cr7 s ASP 132 Ca 0.59 2.22 -0.23 0.00 0.71 0.00 0.00 52.55 55.84 1cr7 s ASP 132 Cb -0.27 -2.61 -0.07 0.00 1.01 0.00 0.00 42.92 40.97 1cr7 s ASP 132 CO 0.76 -0.33 1.17 -2.84 0.21 0.00 0.00 175.17 174.14 1cr7 s PRO 133 N -1.89 3.74 0.00 8.23 0.02 -1.26 -4.75 135.00 139.09 1cr7 s PRO 133 Ca 0.50 1.79 0.00 0.00 0.02 0.00 0.00 61.00 63.32 1cr7 s PRO 133 Cb -0.29 -2.41 0.00 0.00 0.02 0.00 0.00 34.50 31.82 1cr7 s PRO 133 CO 0.37 -0.57 0.61 -0.35 -0.33 0.00 0.00 177.00 176.73 1cr7 n PRO 134 N -0.49 0.00 -4.42 5.54 -0.04 -1.26 -4.67 135.00 129.65 1cr7 n PRO 134 Ca 0.07 0.14 -0.21 0.00 -0.04 0.00 0.00 63.50 63.46 1cr7 n PRO 134 Cb 0.48 -1.51 -0.10 0.00 -0.04 0.00 0.00 33.50 32.32 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 -2.21 1.23 1.06 0.52 -4.23 -1.26 -4.93 115.64 105.82 1cr7 s THR 135 Ca 0.00 -2.03 -0.14 0.00 -1.18 0.00 0.00 61.69 58.34 1cr7 s THR 135 Cb 0.00 -2.66 0.14 0.00 1.34 0.00 0.00 72.50 71.32 1cr7 s THR 135 CO 0.00 -0.11 0.52 0.47 -0.54 0.00 0.00 174.62 174.97 1cr7 n ASP 136 N -0.62 -1.75 -3.63 3.99 10.43 -1.25 -4.87 116.55 118.84 1cr7 n ASP 136 Ca -0.03 0.07 -0.00 0.00 2.57 0.00 0.00 54.79 57.40 1cr7 n ASP 136 Cb 0.66 -1.17 0.00 0.00 1.84 0.00 0.00 41.12 42.45 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 -2.38 -0.02 -0.05 1.24 -3.43 -0.77 -3.11 115.29 106.78 1cr7 s HIS 137 Ca 0.61 -0.20 0.05 0.00 -0.80 0.00 0.00 55.06 54.73 1cr7 s HIS 137 Cb -0.19 0.60 -0.01 0.00 -1.43 0.00 0.00 32.58 31.55 1cr7 s HIS 137 CO 0.65 -0.53 -0.21 0.08 -2.00 0.00 0.00 174.74 172.73 1cr7 s VAL 138 N -2.45 1.72 0.10 -5.38 1.01 -1.01 -1.59 120.40 112.80 1cr7 s VAL 138 Ca 0.19 -0.88 -0.07 0.00 0.00 0.00 0.00 61.98 61.22 1cr7 s VAL 138 Cb 0.01 -1.46 -0.01 0.00 0.00 0.00 0.00 36.38 34.92 1cr7 s VAL 138 CO 0.00 0.48 0.16 -0.83 0.00 0.00 0.00 175.10 174.92 1cr7 s GLY 139 N -0.09 0.31 -0.28 4.51 0.00 -0.90 -1.22 107.32 109.65 1cr7 s GLY 139 Ca -0.03 -0.85 -0.05 0.00 0.00 0.00 0.00 44.72 43.80 1cr7 s GLY 139 CO 0.03 -0.94 0.03 -0.42 0.00 0.00 0.00 173.10 171.80 1cr7 s ILE 140 N -3.91 3.60 -0.16 0.90 -1.09 -0.15 -1.57 121.20 118.82 1cr7 s ILE 140 Ca 0.09 -0.83 -0.08 0.00 -2.23 0.00 0.00 60.65 57.60 1cr7 s ILE 140 Cb 0.05 -2.86 -0.05 0.00 -1.58 0.00 0.00 42.46 38.03 1cr7 s ILE 140 CO -0.07 0.10 0.13 -1.81 -1.23 0.00 0.00 174.94 172.06 1cr7 s ASP 141 N 1.44 6.26 -0.38 3.58 -0.00 0.50 -0.80 116.67 127.27 1cr7 s ASP 141 Ca 0.01 0.33 0.01 0.00 -0.00 0.00 0.00 52.55 52.90 1cr7 s ASP 141 Cb -0.17 -2.07 0.12 0.00 -0.00 0.00 0.00 42.92 40.80 1cr7 s ASP 141 CO 0.00 0.28 0.17 -0.69 -0.00 0.00 0.00 175.17 174.93 1cr7 s VAL 142 N -0.27 1.22 -1.78 -1.27 1.01 -1.26 -0.02 120.40 118.03 1cr7 s VAL 142 Ca 0.11 -2.05 0.00 0.00 0.00 0.00 0.00 61.98 60.04 1cr7 s VAL 142 Cb -0.11 -1.88 0.00 0.00 0.00 0.00 0.00 36.38 34.38 1cr7 s VAL 142 CO 0.01 -0.79 0.00 0.59 0.00 0.00 0.00 175.10 174.91 1cr7 n ASN 143 N 4.14 -5.15 -3.62 3.32 5.03 0.21 -4.95 115.26 114.24 1cr7 n ASN 143 Ca 0.04 0.31 -0.09 0.00 0.87 0.00 0.00 54.58 55.71 1cr7 n ASN 143 Cb 0.38 -4.22 -0.06 0.00 -1.02 0.00 0.00 39.78 34.86 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 -2.64 -0.38 0.00 6.41 0.15 -1.26 -2.34 113.70 113.64 1cr7 s SER 144 Ca 0.00 0.65 0.24 0.00 0.70 0.00 0.00 55.95 57.54 1cr7 s SER 144 Cb 0.00 0.63 1.33 0.00 -1.71 0.00 0.00 66.02 66.26 1cr7 s SER 144 CO 0.00 -0.19 1.87 1.33 1.20 0.00 0.00 173.24 177.45 1cr7 n VAL 145 N 1.70 0.03 -2.94 4.45 0.24 -0.14 -4.25 118.33 117.41 1cr7 n VAL 145 Ca -0.11 -0.06 -0.44 0.00 -2.04 0.00 0.00 64.34 61.68 1cr7 n VAL 145 Cb 0.57 -0.21 -0.01 0.00 -1.47 0.00 0.00 33.84 32.72 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 -1.76 6.92 0.18 -1.34 3.68 -1.26 -4.95 116.67 118.13 1cr7 s ASP 146 Ca 0.36 -2.66 -0.27 0.00 2.13 0.00 0.00 52.55 52.11 1cr7 s ASP 146 Cb 0.17 -2.40 -0.16 0.00 -1.45 0.00 0.00 42.92 39.08 1cr7 s ASP 146 CO 0.28 -0.86 0.51 -1.20 0.13 0.00 0.00 175.17 174.04 1cr7 n SER 147 N 5.95 -1.09 0.21 -0.34 7.64 -1.26 -4.87 113.62 119.86 1cr7 n SER 147 Ca 0.32 1.05 0.09 0.00 1.01 0.00 0.00 58.87 61.34 1cr7 n SER 147 Cb 0.45 -0.88 0.40 0.00 -1.01 0.00 0.00 64.21 63.17 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 1.03 0.61 -1.57 0.44 2.07 -1.29 -3.45 116.25 114.09 1cr7 h VAL 148 Ca -0.27 -1.27 0.10 0.00 0.82 0.00 0.00 66.70 66.08 1cr7 h VAL 148 Cb 1.33 1.85 -0.27 0.00 -1.52 0.00 0.00 31.29 32.69 1cr7 h VAL 148 CO 0.53 0.26 0.38 -0.75 0.02 0.00 0.00 177.57 178.01 1cr7 s LYS 149 N -3.57 0.42 0.36 1.57 2.20 -1.24 -5.00 119.74 114.47 1cr7 s LYS 149 Ca 0.01 0.67 0.07 0.00 -0.36 0.00 0.00 55.97 56.36 1cr7 s LYS 149 Cb 0.10 0.11 -0.07 0.00 -1.51 0.00 0.00 37.83 36.46 1cr7 s LYS 149 CO 0.65 -0.08 -0.01 0.95 -0.36 0.00 0.00 175.35 176.50 1cr7 s THR 150 N 1.11 1.80 -0.08 3.43 -4.23 -1.26 -0.98 115.64 115.44 1cr7 s THR 150 Ca -0.06 -2.06 -0.07 0.00 -1.18 0.00 0.00 61.69 58.32 1cr7 s THR 150 Cb -0.04 -2.79 0.03 0.00 1.34 0.00 0.00 72.50 71.03 1cr7 s THR 150 CO -0.13 -0.09 0.22 0.54 -0.54 0.00 0.00 174.62 174.61 1cr7 s VAL 151 N -2.87 -0.01 0.69 2.29 0.11 -0.36 -4.98 120.40 115.27 1cr7 s VAL 151 Ca 0.34 0.04 -0.16 0.00 -2.93 0.00 0.00 61.98 59.27 1cr7 s VAL 151 Cb 0.07 -0.31 0.02 0.00 -1.53 0.00 0.00 36.38 34.62 1cr7 s VAL 151 CO 0.16 0.02 1.25 -2.84 -3.33 0.00 0.00 175.10 170.35 1cr7 s PRO 152 N 0.41 2.32 0.12 1.54 0.02 -1.26 -2.41 135.00 135.74 1cr7 s PRO 152 Ca -0.02 1.90 -0.21 0.00 0.02 0.00 0.00 61.00 62.68 1cr7 s PRO 152 Cb -0.04 -1.84 0.06 0.00 0.02 0.00 0.00 34.50 32.70 1cr7 s PRO 152 CO -0.02 -1.73 0.53 -0.46 -0.33 0.00 0.00 177.00 174.99 1cr7 s TRP 153 N -1.71 -0.43 -0.11 6.54 -0.00 -1.18 -4.74 118.94 117.31 1cr7 s TRP 153 Ca 0.78 0.26 0.01 0.00 -0.00 0.00 0.00 56.10 57.15 1cr7 s TRP 153 Cb -0.33 0.43 0.02 0.00 -0.00 0.00 0.00 33.47 33.59 1cr7 s TRP 153 CO 0.42 -0.76 -0.13 1.21 -0.00 0.00 0.00 176.95 177.69 1cr7 s ASN 154 N -2.57 2.34 -0.19 5.86 2.47 -1.26 -3.86 114.94 117.73 1cr7 s ASN 154 Ca -0.00 -0.40 -0.20 0.00 0.42 0.00 0.00 52.86 52.68 1cr7 s ASN 154 Cb -0.00 -1.02 -0.03 0.00 -1.45 0.00 0.00 41.25 38.75 1cr7 s ASN 154 CO -0.10 -0.02 0.59 -0.55 -3.72 0.00 0.00 177.10 173.30 1cr7 s SER 155 N 1.17 6.65 -0.20 -4.21 0.15 -1.26 -5.04 113.70 110.96 1cr7 s SER 155 Ca -0.03 0.79 -0.04 0.00 0.70 0.00 0.00 55.95 57.36 1cr7 s SER 155 Cb -0.14 -2.33 -0.02 0.00 -1.71 0.00 0.00 66.02 61.82 1cr7 s SER 155 CO -0.04 -0.23 -0.03 -0.69 1.20 0.00 0.00 173.24 173.46 1cr7 s VAL 156 N 1.76 3.70 0.20 4.45 1.01 -1.26 -5.08 120.40 125.18 1cr7 s VAL 156 Ca 0.27 -0.40 -0.31 0.00 0.00 0.00 0.00 61.98 61.54 1cr7 s VAL 156 Cb -0.16 -2.66 -0.10 0.00 0.00 0.00 0.00 36.38 33.46 1cr7 s VAL 156 CO 0.10 0.44 1.55 -0.55 0.00 0.00 0.00 175.10 176.64 1cr7 s SER 157 N 1.03 6.57 0.00 3.32 0.15 -1.26 -2.26 113.70 121.24 1cr7 s SER 157 Ca 0.01 2.68 0.00 0.00 0.70 0.00 0.00 55.95 59.34 1cr7 s SER 157 Cb -0.15 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.56 1cr7 s SER 157 CO 0.01 -0.81 0.00 0.61 1.20 0.00 0.00 173.24 174.25 1cr7 n GLY 158 N 3.18 2.02 3.72 9.45 0.00 0.79 -4.94 105.19 119.41 1cr7 n GLY 158 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.48 3.24 -0.13 4.61 0.00 -0.96 -4.94 121.76 120.10 1cr7 s ALA 159 Ca 0.00 0.44 -0.29 0.00 0.00 0.00 0.00 51.96 52.11 1cr7 s ALA 159 Cb 0.00 -3.21 -0.01 0.00 0.00 0.00 0.00 23.12 19.90 1cr7 s ALA 159 CO 0.00 -0.13 1.00 0.08 0.00 0.00 0.00 175.76 176.71 1cr7 s VAL 160 N 0.63 4.77 -0.10 0.00 1.01 -1.26 -4.34 120.40 121.11 1cr7 s VAL 160 Ca 0.47 2.02 -0.03 0.00 0.00 0.00 0.00 61.98 64.43 1cr7 s VAL 160 Cb -0.21 -4.30 -0.03 0.00 0.00 0.00 0.00 36.38 31.83 1cr7 s VAL 160 CO 0.26 -0.02 0.04 -0.69 0.00 0.00 0.00 175.10 174.68 1cr7 s VAL 161 N 2.20 4.61 -0.08 2.92 1.01 -0.29 -4.19 120.40 126.59 1cr7 s VAL 161 Ca 0.47 -0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.34 1cr7 s VAL 161 Cb -0.18 -2.96 -0.02 0.00 0.00 0.00 0.00 36.38 33.22 1cr7 s VAL 161 CO 0.16 0.60 -0.14 -0.54 0.00 0.00 0.00 175.10 175.18 1cr7 s LYS 162 N -0.85 2.85 0.02 2.72 1.02 -0.75 -2.37 119.74 122.38 1cr7 s LYS 162 Ca 0.13 -0.69 0.04 0.00 0.02 0.00 0.00 55.97 55.47 1cr7 s LYS 162 Cb -0.12 -2.48 -0.02 0.00 -0.52 0.00 0.00 37.83 34.70 1cr7 s LYS 162 CO 0.03 0.47 -0.12 0.08 -0.92 0.00 0.00 175.35 174.88 1cr7 s VAL 163 N -0.32 0.96 -0.07 3.17 1.01 -0.62 -0.21 120.40 124.32 1cr7 s VAL 163 Ca 0.03 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.26 1cr7 s VAL 163 Cb -0.13 -0.85 0.02 0.00 0.00 0.00 0.00 36.38 35.42 1cr7 s VAL 163 CO 0.02 0.09 -0.07 -0.89 0.00 0.00 0.00 175.10 174.25 1cr7 s THR 164 N -0.62 0.82 -0.04 3.92 2.01 -0.52 -1.72 115.64 119.50 1cr7 s THR 164 Ca 0.02 -0.25 0.06 0.00 0.31 0.00 0.00 61.69 61.82 1cr7 s THR 164 Cb -0.06 -0.82 -0.01 0.00 0.01 0.00 0.00 72.50 71.62 1cr7 s THR 164 CO 0.00 0.30 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.33 1cr7 s VAL 165 N 1.08 1.75 -0.03 3.82 1.01 0.10 -1.24 120.40 126.89 1cr7 s VAL 165 Ca -0.08 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.02 1cr7 s VAL 165 Cb -0.14 -1.47 0.00 0.00 0.00 0.00 0.00 36.38 34.77 1cr7 s VAL 165 CO -0.01 0.49 -0.10 -0.63 0.00 0.00 0.00 175.10 174.85 1cr7 s ILE 166 N -0.21 0.88 -0.21 2.22 1.01 -0.28 -0.96 121.20 123.65 1cr7 s ILE 166 Ca 0.00 -0.40 -0.00 0.00 0.00 0.00 0.00 60.65 60.24 1cr7 s ILE 166 Cb -0.11 -0.79 0.06 0.00 0.01 0.00 0.00 42.46 41.62 1cr7 s ILE 166 CO 0.02 0.28 -0.03 -0.47 0.00 0.00 0.00 174.94 174.73 1cr7 s TYR 167 N 0.26 1.87 -0.28 3.97 5.04 -0.49 0.06 117.35 127.78 1cr7 s TYR 167 Ca -0.05 -1.36 -0.18 0.00 -2.44 0.00 0.00 57.07 53.04 1cr7 s TYR 167 Cb -0.10 -1.37 -0.02 0.00 0.35 0.00 0.00 41.96 40.82 1cr7 s TYR 167 CO 0.01 -0.69 0.53 0.34 -1.34 0.00 0.00 175.55 174.40 1cr7 s ASP 168 N 1.57 6.43 0.16 4.32 2.15 -0.86 -1.80 116.67 128.65 1cr7 s ASP 168 Ca -0.03 0.44 -0.15 0.00 0.43 0.00 0.00 52.55 53.24 1cr7 s ASP 168 Cb -0.17 -2.29 0.04 0.00 -0.30 0.00 0.00 42.92 40.20 1cr7 s ASP 168 CO -0.07 -0.34 1.81 0.77 -0.17 0.00 0.00 175.17 177.17 1cr7 h SER 169 N 8.10 0.45 -0.50 -0.34 4.64 -1.87 0.24 113.55 124.27 1cr7 h SER 169 Ca -0.28 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1cr7 h SER 169 Cb 1.14 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 63.10 1cr7 h SER 169 CO 0.73 0.33 0.33 0.77 -0.87 0.00 0.00 176.83 178.12 1cr7 h SER 170 N 0.55 0.58 0.00 4.97 4.64 -1.93 -3.03 113.55 119.32 1cr7 h SER 170 Ca 0.17 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1cr7 h SER 170 Cb -0.03 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 61.92 1cr7 h SER 170 CO -0.06 0.42 -1.53 0.35 -0.87 0.00 0.00 176.83 175.15 1cr7 n THR 171 N -4.46 0.00 -3.30 2.95 -2.24 -1.16 -4.98 114.28 101.10 1cr7 n THR 171 Ca 0.04 -0.31 -0.19 0.00 -2.27 0.00 0.00 64.05 61.32 1cr7 n THR 171 Cb 0.05 0.37 0.06 0.00 -2.10 0.00 0.00 70.33 68.72 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 -1.91 -6.05 -4.06 -0.78 5.02 0.83 -4.85 118.16 106.35 1cr7 n LYS 172 Ca -0.01 0.69 -0.35 0.00 -2.02 0.00 0.00 58.31 56.62 1cr7 n LYS 172 Cb 0.42 -5.26 -0.11 0.00 -0.02 0.00 0.00 35.03 30.05 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 -3.22 4.35 -0.32 -0.18 2.01 -1.10 -0.74 115.64 116.43 1cr7 s THR 173 Ca 0.44 -0.18 -0.11 0.00 0.31 0.00 0.00 61.69 62.14 1cr7 s THR 173 Cb -0.19 -2.97 -0.02 0.00 0.01 0.00 0.00 72.50 69.33 1cr7 s THR 173 CO 0.54 0.44 0.20 -0.22 -0.69 0.00 0.00 174.62 174.89 1cr7 s LEU 174 N 0.73 4.28 -0.10 4.42 2.96 0.45 -2.02 118.68 129.41 1cr7 s LEU 174 Ca 0.02 -0.38 -0.01 0.00 -0.22 0.00 0.00 54.13 53.53 1cr7 s LEU 174 Cb -0.14 -2.09 -0.03 0.00 0.50 0.00 0.00 46.19 44.44 1cr7 s LEU 174 CO 0.02 -0.19 -0.05 -0.44 -1.32 0.00 0.00 176.35 174.38 1cr7 s SER 175 N 1.69 4.79 -0.07 3.68 0.01 0.11 -1.50 113.70 122.41 1cr7 s SER 175 Ca 0.06 -0.02 0.03 0.00 1.31 0.00 0.00 55.95 57.33 1cr7 s SER 175 Cb -0.17 -1.41 0.00 0.00 0.21 0.00 0.00 66.02 64.65 1cr7 s SER 175 CO 0.09 0.31 -0.17 -0.69 0.41 0.00 0.00 173.24 173.19 1cr7 s VAL 176 N -0.48 1.45 -0.16 3.43 1.01 0.48 -1.13 120.40 125.00 1cr7 s VAL 176 Ca 0.07 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.38 1cr7 s VAL 176 Cb -0.12 -1.27 0.03 0.00 0.00 0.00 0.00 36.38 35.02 1cr7 s VAL 176 CO 0.02 0.42 -0.12 0.00 0.00 0.00 0.00 175.10 175.42 1cr7 s ALA 177 N 0.39 1.86 -0.29 5.51 0.00 -0.37 -1.99 121.76 126.87 1cr7 s ALA 177 Ca -0.12 -0.98 -0.06 0.00 0.00 0.00 0.00 51.96 50.79 1cr7 s ALA 177 Cb -0.15 -1.13 0.01 0.00 0.00 0.00 0.00 23.12 21.85 1cr7 s ALA 177 CO 0.04 -0.55 0.07 0.08 0.00 0.00 0.00 175.76 175.40 1cr7 s VAL 178 N 1.47 3.89 -0.48 0.00 1.01 0.23 -1.44 120.40 125.09 1cr7 s VAL 178 Ca 0.03 -0.68 -0.18 0.00 0.00 0.00 0.00 61.98 61.14 1cr7 s VAL 178 Cb -0.14 -2.99 0.05 0.00 0.00 0.00 0.00 36.38 33.30 1cr7 s VAL 178 CO -0.10 0.11 0.53 -0.89 0.00 0.00 0.00 175.10 174.75 1cr7 s THR 179 N 1.49 5.00 1.00 3.92 2.01 0.71 -0.13 115.64 129.64 1cr7 s THR 179 Ca 0.03 -0.56 -0.13 0.00 0.31 0.00 0.00 61.69 61.34 1cr7 s THR 179 Cb -0.17 -4.20 0.19 0.00 0.01 0.00 0.00 72.50 68.34 1cr7 s THR 179 CO 0.02 -0.66 1.10 0.20 -0.69 0.00 0.00 174.62 174.60 1cr7 s ASN 180 N 2.43 2.61 0.13 3.53 -0.87 0.22 -1.80 114.94 121.19 1cr7 s ASN 180 Ca 0.12 1.09 -0.30 0.00 -1.57 0.00 0.00 52.86 52.20 1cr7 s ASN 180 Cb -0.20 -1.71 -0.10 0.00 -0.02 0.00 0.00 41.25 39.22 1cr7 s ASN 180 CO 0.11 -3.13 1.51 -0.78 -2.57 0.00 0.00 177.10 172.24 1cr7 h ASP 181 N -1.89 -1.78 0.00 -1.22 3.58 -1.86 -1.65 116.42 111.61 1cr7 h ASP 181 Ca -0.54 0.24 0.00 0.00 0.42 0.00 0.00 57.03 57.15 1cr7 h ASP 181 Cb 1.33 0.74 0.00 0.00 1.72 0.00 0.00 39.33 43.12 1cr7 h ASP 181 CO 0.57 -0.35 0.00 -0.46 -2.88 0.00 0.00 179.24 176.12 1cr7 n ASN 182 N -5.17 0.00 0.00 2.28 2.04 -1.26 -4.86 115.26 108.29 1cr7 n ASN 182 Ca -0.03 -0.65 0.00 0.00 -0.44 0.00 0.00 54.58 53.46 1cr7 n ASN 182 Cb 0.31 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.56 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 -0.07 3.00 3.68 4.83 0.00 -0.62 -5.05 105.19 110.96 1cr7 n GLY 183 Ca 0.06 -0.20 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 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 0.23 1.97 -4.57 1.61 10.43 -1.26 -4.62 116.55 120.33 1cr7 n ASP 184 Ca 0.00 0.98 -0.28 0.00 2.57 0.00 0.00 54.79 58.06 1cr7 n ASP 184 Cb 0.00 -1.48 -0.10 0.00 1.84 0.00 0.00 41.12 41.39 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 -1.31 3.27 0.05 0.53 -4.36 -1.26 -0.61 121.20 117.50 1cr7 s ILE 185 Ca 0.68 -1.47 0.05 0.00 -0.26 0.00 0.00 60.65 59.66 1cr7 s ILE 185 Cb -0.46 -2.57 -0.02 0.00 1.25 0.00 0.00 42.46 40.65 1cr7 s ILE 185 CO 0.52 0.00 -0.15 -0.89 0.24 0.00 0.00 174.94 174.66 1cr7 s THR 186 N -1.45 1.20 0.09 8.37 2.01 0.81 -4.95 115.64 121.73 1cr7 s THR 186 Ca 0.23 -1.08 -0.05 0.00 0.31 0.00 0.00 61.69 61.10 1cr7 s THR 186 Cb -0.10 -1.09 -0.02 0.00 0.01 0.00 0.00 72.50 71.30 1cr7 s THR 186 CO 0.14 0.00 0.11 0.42 -0.69 0.00 0.00 174.62 174.60 1cr7 s THR 187 N -0.90 0.15 -0.10 -0.82 -4.23 -1.26 0.76 115.64 109.24 1cr7 s THR 187 Ca 0.02 -1.55 -0.30 0.00 -1.18 0.00 0.00 61.69 58.67 1cr7 s THR 187 Cb -0.08 -1.60 0.10 0.00 1.34 0.00 0.00 72.50 72.25 1cr7 s THR 187 CO 0.02 -0.68 0.85 -0.51 -0.54 0.00 0.00 174.62 173.75 1cr7 s ILE 188 N -3.93 0.00 0.12 2.99 2.07 -0.84 -4.97 121.20 116.64 1cr7 s ILE 188 Ca 0.11 0.00 -0.13 0.00 -1.41 0.00 0.00 60.65 59.22 1cr7 s ILE 188 Cb 0.06 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.67 1cr7 s ILE 188 CO -0.07 0.00 0.32 0.00 -1.91 0.00 0.00 174.94 173.29 1cr7 s ALA 189 N -1.25 -0.56 -0.19 1.50 0.00 -1.26 -0.39 121.76 119.61 1cr7 s ALA 189 Ca -0.06 -0.37 -0.28 0.00 0.00 0.00 0.00 51.96 51.25 1cr7 s ALA 189 Cb -0.00 0.66 0.12 0.00 0.00 0.00 0.00 23.12 23.89 1cr7 s ALA 189 CO 0.05 -0.61 0.96 -1.14 0.00 0.00 0.00 175.76 175.01 1cr7 s GLN 190 N -3.85 0.63 -0.32 0.00 2.00 -0.56 -4.98 119.66 112.57 1cr7 s GLN 190 Ca 0.06 0.33 -0.19 0.00 -2.00 0.00 0.00 55.36 53.56 1cr7 s GLN 190 Cb 0.03 0.30 -0.01 0.00 0.80 0.00 0.00 33.01 34.13 1cr7 s GLN 190 CO -0.09 -0.16 0.54 0.08 -0.50 0.00 0.00 175.29 175.16 1cr7 s VAL 191 N -0.66 5.00 -0.10 1.34 1.01 -1.26 -0.41 120.40 125.32 1cr7 s VAL 191 Ca -0.01 0.60 -0.00 0.00 0.00 0.00 0.00 61.98 62.56 1cr7 s VAL 191 Cb -0.02 -3.94 0.02 0.00 0.00 0.00 0.00 36.38 32.44 1cr7 s VAL 191 CO 0.00 -0.13 -0.06 -0.69 0.00 0.00 0.00 175.10 174.22 1cr7 s VAL 192 N 2.44 0.87 -0.94 2.92 1.01 0.08 -4.99 120.40 121.79 1cr7 s VAL 192 Ca 0.21 -0.20 -0.24 0.00 0.00 0.00 0.00 61.98 61.75 1cr7 s VAL 192 Cb -0.15 -0.91 0.05 0.00 0.00 0.00 0.00 36.38 35.36 1cr7 s VAL 192 CO 0.12 0.34 1.38 -0.62 0.00 0.00 0.00 175.10 176.32 1cr7 s ASP 193 N 1.68 6.42 0.28 3.32 3.68 -1.26 -4.66 116.67 126.12 1cr7 s ASP 193 Ca 0.03 -1.25 -0.00 0.00 2.13 0.00 0.00 52.55 53.47 1cr7 s ASP 193 Cb -0.13 -2.55 0.51 0.00 -1.45 0.00 0.00 42.92 39.30 1cr7 s ASP 193 CO -0.07 -1.56 1.84 -0.07 0.13 0.00 0.00 175.17 175.45 1cr7 h LEU 194 N 12.67 0.94 -0.77 -1.34 3.38 -1.97 -0.43 115.31 127.79 1cr7 h LEU 194 Ca 0.07 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1cr7 h LEU 194 Cb 1.02 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1cr7 h LEU 194 CO 1.37 0.52 0.00 1.17 0.09 0.00 0.00 178.44 181.59 1cr7 n LYS 195 N -4.60 0.12 -0.09 1.13 4.81 -1.26 -1.79 118.16 116.48 1cr7 n LYS 195 Ca 0.18 0.49 0.03 0.00 -0.87 0.00 0.00 58.31 58.14 1cr7 n LYS 195 Cb 0.31 -1.80 0.08 0.00 0.02 0.00 0.00 35.03 33.64 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 -1.70 2.16 -0.01 3.14 0.00 -0.19 -4.49 120.51 119.42 1cr7 n ALA 196 Ca 0.01 -1.01 0.00 0.00 0.00 0.00 0.00 53.44 52.43 1cr7 n ALA 196 Cb 0.12 -0.26 0.00 0.00 0.00 0.00 0.00 19.45 19.31 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 0.15 3.12 -4.04 0.00 4.76 -0.99 -5.04 118.16 116.12 1cr7 n LYS 197 Ca 0.07 -0.01 -0.10 0.00 -2.87 0.00 0.00 58.31 55.40 1cr7 n LYS 197 Cb 0.33 -0.24 -0.08 0.00 -1.84 0.00 0.00 35.03 33.20 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 -0.89 1.27 0.82 -0.35 1.43 -0.74 -4.88 118.68 115.34 1cr7 s LEU 198 Ca 0.00 -1.01 -0.11 0.00 -1.03 0.00 0.00 54.13 51.98 1cr7 s LEU 198 Cb 0.00 0.84 0.10 0.00 0.03 0.00 0.00 46.19 47.16 1cr7 s LEU 198 CO 0.00 -0.83 1.17 -2.16 0.23 0.00 0.00 176.35 174.76 1cr7 s PRO 199 N -4.00 1.71 0.36 1.29 0.04 -1.26 -4.64 135.00 128.49 1cr7 s PRO 199 Ca 0.20 -0.13 0.05 0.00 0.04 0.00 0.00 61.00 61.17 1cr7 s PRO 199 Cb 0.05 -1.99 0.72 0.00 0.04 0.00 0.00 34.50 33.33 1cr7 s PRO 199 CO 0.01 -1.70 1.96 0.93 0.04 0.00 0.00 177.00 178.24 1cr7 h GLU 200 N -1.07 0.75 -5.12 4.56 5.08 -1.94 -3.41 114.58 113.43 1cr7 h GLU 200 Ca -0.45 -0.05 -0.66 0.00 -1.00 0.00 0.00 59.36 57.21 1cr7 h GLU 200 Cb 1.30 -0.17 -0.27 0.00 0.50 0.00 0.00 28.75 30.11 1cr7 h GLU 200 CO 0.58 0.50 -0.74 1.03 -1.00 0.00 0.00 179.01 179.38 1cr7 s ARG 201 N -5.69 3.39 0.29 2.33 0.52 -1.26 -0.73 118.95 117.80 1cr7 s ARG 201 Ca -0.10 -0.64 0.02 0.00 -0.52 0.00 0.00 55.73 54.49 1cr7 s ARG 201 Cb 0.19 -2.87 -0.04 0.00 0.52 0.00 0.00 34.95 32.76 1cr7 s ARG 201 CO 0.77 -0.03 0.13 0.14 0.02 0.00 0.00 175.30 176.33 1cr7 s VAL 202 N 1.03 0.42 0.12 3.52 -7.23 -0.09 -3.41 120.40 114.76 1cr7 s VAL 202 Ca -0.00 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.26 1cr7 s VAL 202 Cb -0.15 -2.55 -0.04 0.00 0.56 0.00 0.00 36.38 34.20 1cr7 s VAL 202 CO -0.01 0.00 -0.22 -0.54 -0.31 0.00 0.00 175.10 174.02 1cr7 s LYS 203 N -3.90 1.22 -0.08 4.82 1.02 -0.13 0.50 119.74 123.19 1cr7 s LYS 203 Ca 0.36 -1.25 0.02 0.00 0.02 0.00 0.00 55.97 55.12 1cr7 s LYS 203 Cb 0.06 -1.51 -0.02 0.00 -0.52 0.00 0.00 37.83 35.84 1cr7 s LYS 203 CO 0.16 0.35 -0.12 -0.06 -0.92 0.00 0.00 175.35 174.75 1cr7 s PHE 204 N -1.28 2.78 0.04 3.18 0.40 -1.26 -2.26 117.98 119.58 1cr7 s PHE 204 Ca 0.10 -0.24 -0.09 0.00 -0.60 0.00 0.00 56.93 56.10 1cr7 s PHE 204 Cb -0.09 -1.71 0.03 0.00 0.51 0.00 0.00 43.02 41.76 1cr7 s PHE 204 CO 0.05 0.12 0.42 0.41 0.70 0.00 0.00 175.22 176.92 1cr7 n GLY 205 N 2.62 0.80 3.30 4.36 0.00 -0.82 -0.35 105.19 115.10 1cr7 n GLY 205 Ca -0.18 -0.97 -0.21 0.00 0.00 0.00 0.00 46.02 44.67 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 -3.76 1.68 -0.04 1.61 0.40 -0.15 -0.37 117.98 117.35 1cr7 s PHE 206 Ca 0.10 -0.49 -0.09 0.00 -0.60 0.00 0.00 56.93 55.84 1cr7 s PHE 206 Cb -0.01 -0.86 0.01 0.00 0.51 0.00 0.00 43.02 42.68 1cr7 s PHE 206 CO 0.01 0.26 0.22 0.45 0.70 0.00 0.00 175.22 176.86 1cr7 s SER 207 N -2.52 -0.13 0.02 1.36 0.15 -0.38 -0.91 113.70 111.29 1cr7 s SER 207 Ca 0.13 0.13 0.01 0.00 0.70 0.00 0.00 55.95 56.91 1cr7 s SER 207 Cb -0.06 0.34 -0.02 0.00 -1.71 0.00 0.00 66.02 64.57 1cr7 s SER 207 CO 0.05 -0.28 -0.04 0.00 1.20 0.00 0.00 173.24 174.17 1cr7 s ALA 208 N -0.78 0.28 0.22 5.45 0.00 -0.79 -1.24 121.76 124.91 1cr7 s ALA 208 Ca -0.09 -0.57 0.01 0.00 0.00 0.00 0.00 51.96 51.31 1cr7 s ALA 208 Cb -0.05 0.08 -0.05 0.00 0.00 0.00 0.00 23.12 23.11 1cr7 s ALA 208 CO 0.02 -0.08 0.06 -1.54 0.00 0.00 0.00 175.76 174.22 1cr7 s SER 209 N -1.29 1.15 0.17 0.00 1.04 -1.22 -2.41 113.70 111.15 1cr7 s SER 209 Ca -0.11 -1.31 0.04 0.00 0.48 0.00 0.00 55.95 55.05 1cr7 s SER 209 Cb -0.09 0.16 -0.01 0.00 0.10 0.00 0.00 66.02 66.18 1cr7 s SER 209 CO -0.00 -0.68 0.14 0.61 0.98 0.00 0.00 173.24 174.29 1cr7 n GLY 210 N -0.37 3.48 0.00 7.32 0.00 -0.00 -2.04 105.19 113.57 1cr7 n GLY 210 Ca -0.02 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.19 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 -2.27 0.00 -0.05 1.61 3.41 -0.22 0.16 113.62 116.26 1cr7 n SER 211 Ca 0.03 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.63 1cr7 n SER 211 Cb 0.31 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.26 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 0.00 -0.47 1.04 6.46 -1.94 -2.88 115.31 117.53 1cr7 h LEU 212 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 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 0.52 -0.32 0.61 -0.62 0.00 0.00 178.44 178.63 1cr7 n GLY 213 N 1.76 -0.64 3.27 3.75 0.00 -1.26 -4.81 105.19 107.26 1cr7 n GLY 213 Ca -0.01 -0.42 -0.37 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.57 1.81 0.02 -0.02 0.00 -1.26 -1.28 107.32 104.01 1cr7 s GLY 214 Ca 0.22 -1.66 -0.16 0.00 0.00 0.00 0.00 44.72 43.12 1cr7 s GLY 214 CO 0.55 0.72 0.35 0.50 0.00 0.00 0.00 173.10 175.22 1cr7 s ARG 215 N 1.40 0.79 0.06 2.90 0.52 -1.00 -1.06 118.95 122.56 1cr7 s ARG 215 Ca -0.01 -0.31 -0.28 0.00 -0.52 0.00 0.00 55.73 54.61 1cr7 s ARG 215 Cb -0.19 0.35 0.09 0.00 0.52 0.00 0.00 34.95 35.72 1cr7 s ARG 215 CO 0.02 -0.25 1.07 1.14 0.02 0.00 0.00 175.30 177.30 1cr7 s GLN 216 N -1.99 0.84 -0.31 3.54 -2.07 -1.24 -4.32 119.66 114.11 1cr7 s GLN 216 Ca -0.09 -0.44 -0.26 0.00 -1.82 0.00 0.00 55.36 52.76 1cr7 s GLN 216 Cb -0.02 0.30 0.01 0.00 -1.09 0.00 0.00 33.01 32.21 1cr7 s GLN 216 CO 0.01 -0.38 0.90 0.42 -1.32 0.00 0.00 175.29 174.91 1cr7 s ILE 217 N -2.95 4.69 -0.36 3.63 1.01 -0.11 -4.85 121.20 122.26 1cr7 s ILE 217 Ca 0.12 1.39 -0.09 0.00 0.00 0.00 0.00 60.65 62.07 1cr7 s ILE 217 Cb 0.01 -4.25 0.03 0.00 0.01 0.00 0.00 42.46 38.26 1cr7 s ILE 217 CO -0.02 -0.34 0.16 -1.00 0.00 0.00 0.00 174.94 173.75 1cr7 s HIS 218 N 3.22 3.25 -0.11 3.97 3.76 -1.26 -1.61 115.29 126.51 1cr7 s HIS 218 Ca 0.37 -1.19 -0.01 0.00 -0.15 0.00 0.00 55.06 54.08 1cr7 s HIS 218 Cb -0.13 -2.36 -0.02 0.00 1.11 0.00 0.00 32.58 31.17 1cr7 s HIS 218 CO 0.13 -0.69 -0.08 -0.51 -0.85 0.00 0.00 174.74 172.74 1cr7 s LEU 219 N 1.48 3.03 -0.26 0.89 1.43 -0.11 -1.33 118.68 123.81 1cr7 s LEU 219 Ca 0.00 -0.15 -0.06 0.00 -1.03 0.00 0.00 54.13 52.89 1cr7 s LEU 219 Cb -0.19 -1.68 -0.00 0.00 0.03 0.00 0.00 46.19 44.34 1cr7 s LEU 219 CO 0.05 0.25 0.04 -0.63 0.23 0.00 0.00 176.35 176.29 1cr7 s ILE 220 N -0.13 3.85 -0.13 -0.59 -1.09 -0.63 -1.25 121.20 121.23 1cr7 s ILE 220 Ca 0.01 -0.53 0.15 0.00 -2.23 0.00 0.00 60.65 58.05 1cr7 s ILE 220 Cb -0.13 -2.88 -0.24 0.00 -1.58 0.00 0.00 42.46 37.62 1cr7 s ILE 220 CO 0.03 0.24 0.35 0.54 -1.23 0.00 0.00 174.94 174.87 1cr7 n ARG 221 N 4.85 0.66 -3.60 2.79 1.74 0.55 -2.25 116.66 121.41 1cr7 n ARG 221 Ca -0.16 0.14 -0.08 0.00 -0.77 0.00 0.00 57.85 56.98 1cr7 n ARG 221 Cb 0.49 -1.65 -0.02 0.00 -1.02 0.00 0.00 32.46 30.26 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 -5.82 -0.38 -0.29 0.55 1.04 -1.22 -4.30 113.70 103.28 1cr7 s SER 222 Ca -0.08 -0.21 -0.14 0.00 0.48 0.00 0.00 55.95 56.00 1cr7 s SER 222 Cb 0.07 0.55 0.10 0.00 0.10 0.00 0.00 66.02 66.85 1cr7 s SER 222 CO 0.82 -0.95 0.72 0.86 0.98 0.00 0.00 173.24 175.66 1cr7 s TRP 223 N -3.55 -1.08 0.11 5.02 -0.00 0.87 -2.89 118.94 117.42 1cr7 s TRP 223 Ca 0.06 2.06 0.08 0.00 -0.00 0.00 0.00 56.10 58.30 1cr7 s TRP 223 Cb -0.02 0.65 -0.04 0.00 -0.00 0.00 0.00 33.47 34.06 1cr7 s TRP 223 CO -0.05 -0.54 -0.19 -1.54 -0.00 0.00 0.00 176.95 174.64 1cr7 s SER 224 N 1.96 2.39 -0.20 5.86 1.04 -0.65 0.12 113.70 124.22 1cr7 s SER 224 Ca -0.09 -0.73 -0.27 0.00 0.48 0.00 0.00 55.95 55.34 1cr7 s SER 224 Cb -0.07 -0.12 0.08 0.00 0.10 0.00 0.00 66.02 66.01 1cr7 s SER 224 CO -0.19 -0.01 0.74 0.12 0.98 0.00 0.00 173.24 174.88 1cr7 s PHE 225 N -1.50 -0.72 -0.11 5.02 5.36 -0.03 -1.95 117.98 124.05 1cr7 s PHE 225 Ca 0.08 1.60 -0.06 0.00 -0.96 0.00 0.00 56.93 57.59 1cr7 s PHE 225 Cb -0.08 0.32 0.05 0.00 -0.34 0.00 0.00 43.02 42.97 1cr7 s PHE 225 CO 0.04 -0.44 0.26 0.99 -1.46 0.00 0.00 175.22 174.62 1cr7 s THR 226 N -0.14 -0.04 0.04 0.12 2.01 -0.85 -1.38 115.64 115.41 1cr7 s THR 226 Ca -0.03 0.14 0.05 0.00 0.31 0.00 0.00 61.69 62.15 1cr7 s THR 226 Cb -0.03 -0.40 -0.02 0.00 0.01 0.00 0.00 72.50 72.05 1cr7 s THR 226 CO 0.03 0.06 -0.13 -0.94 -0.69 0.00 0.00 174.62 172.94 1cr7 s SER 227 N 1.22 1.57 -0.05 3.53 1.04 -0.10 -1.20 113.70 119.70 1cr7 s SER 227 Ca -0.09 -0.47 -0.02 0.00 0.48 0.00 0.00 55.95 55.85 1cr7 s SER 227 Cb -0.10 -0.09 0.04 0.00 0.10 0.00 0.00 66.02 65.97 1cr7 s SER 227 CO -0.09 0.00 0.10 -0.89 0.98 0.00 0.00 173.24 173.35 1cr7 s THR 228 N -0.91 -0.06 -0.17 2.02 2.01 0.02 -1.69 115.64 116.86 1cr7 s THR 228 Ca 0.00 0.20 0.01 0.00 0.31 0.00 0.00 61.69 62.21 1cr7 s THR 228 Cb -0.08 -0.19 0.01 0.00 0.01 0.00 0.00 72.50 72.26 1cr7 s THR 228 CO 0.01 0.08 -0.19 -0.22 -0.69 0.00 0.00 174.62 173.62 1cr7 s LEU 229 N 1.18 2.23 0.19 4.42 2.96 0.55 -1.22 118.68 128.99 1cr7 s LEU 229 Ca -0.09 -0.59 -0.30 0.00 -0.22 0.00 0.00 54.13 52.93 1cr7 s LEU 229 Cb -0.12 -1.50 -0.08 0.00 0.50 0.00 0.00 46.19 44.99 1cr7 s LEU 229 CO -0.05 0.03 1.03 -0.63 -1.32 0.00 0.00 176.35 175.41 1cr7 s ILE 230 N 1.13 4.00 -0.85 6.68 1.01 -1.26 0.03 121.20 131.95 1cr7 s ILE 230 Ca 0.01 1.82 0.01 0.00 0.00 0.00 0.00 60.65 62.49 1cr7 s ILE 230 Cb -0.14 -4.16 0.33 0.00 0.01 0.00 0.00 42.46 38.49 1cr7 s ILE 230 CO -0.08 0.36 1.44 0.35 0.00 0.00 0.00 174.94 177.01 1cr7 n THR 231 N 2.05 4.81 0.00 2.92 -2.24 -1.26 -4.88 114.28 115.68 1cr7 n THR 231 Ca 0.01 -5.81 0.00 0.00 -2.27 0.00 0.00 64.05 55.98 1cr7 n THR 231 Cb 0.47 -1.53 0.00 0.00 -2.10 0.00 0.00 70.33 67.17 1cr7 n THR 231 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57