#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cr5 n THR 24 N 0.00 0.00 -1.67 5.18 -1.04 -1.26 -4.58 114.28 110.91 1cr5 n THR 24 Ca 0.00 -0.49 -0.43 0.00 -2.04 0.00 0.00 64.05 61.10 1cr5 n THR 24 Cb 0.00 1.08 -0.03 0.00 -1.82 0.00 0.00 70.33 69.55 1cr5 n THR 24 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1cr5 n ARG 25 N 0.03 2.80 -3.05 -2.82 0.63 -1.26 -4.93 116.66 108.07 1cr5 n ARG 25 Ca 0.02 1.03 -0.40 0.00 -0.92 0.00 0.00 57.85 57.58 1cr5 n ARG 25 Cb 0.10 -2.96 -0.05 0.00 0.45 0.00 0.00 32.46 30.00 1cr5 n ARG 25 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 1cr5 s THR 26 N 3.96 5.00 0.28 5.15 -1.32 -1.26 -4.73 115.64 122.71 1cr5 s THR 26 Ca 0.87 1.35 -0.17 0.00 -1.21 0.00 0.00 61.69 62.53 1cr5 s THR 26 Cb -0.47 -4.01 -0.09 0.00 -1.51 0.00 0.00 72.50 66.43 1cr5 s THR 26 CO 0.42 0.13 0.72 -0.13 -2.21 0.00 0.00 174.62 173.55 1cr5 s ARG 27 N 1.68 4.10 -0.22 7.08 3.00 0.74 -4.89 118.95 130.43 1cr5 s ARG 27 Ca 0.33 0.74 -0.03 0.00 0.00 0.00 0.00 55.73 56.76 1cr5 s ARG 27 Cb -0.16 -2.62 -0.00 0.00 0.00 0.00 0.00 34.95 32.17 1cr5 s ARG 27 CO 0.12 0.26 -0.05 -1.01 0.00 0.00 0.00 175.30 174.62 1cr5 s HIS 28 N -1.79 2.96 0.08 -0.53 3.76 -1.26 -0.43 115.29 118.08 1cr5 s HIS 28 Ca 0.49 -1.08 0.05 0.00 -0.15 0.00 0.00 55.06 54.37 1cr5 s HIS 28 Cb -0.13 -2.09 -0.03 0.00 1.11 0.00 0.00 32.58 31.44 1cr5 s HIS 28 CO 0.19 -0.60 -0.13 -0.51 -0.85 0.00 0.00 174.74 172.85 1cr5 s LEU 29 N 1.44 2.31 -0.15 0.89 1.43 -0.11 -4.83 118.68 119.67 1cr5 s LEU 29 Ca 0.05 -0.66 -0.11 0.00 -1.03 0.00 0.00 54.13 52.38 1cr5 s LEU 29 Cb -0.15 -0.44 -0.05 0.00 0.03 0.00 0.00 46.19 45.59 1cr5 s LEU 29 CO -0.04 -0.13 0.22 -0.54 0.23 0.00 0.00 176.35 176.09 1cr5 s LYS 30 N -2.00 4.01 0.14 1.70 1.02 -0.42 0.12 119.74 124.30 1cr5 s LYS 30 Ca -0.01 -0.02 -0.30 0.00 0.02 0.00 0.00 55.97 55.66 1cr5 s LYS 30 Cb -0.08 -3.35 -0.07 0.00 -0.52 0.00 0.00 37.83 33.81 1cr5 s LYS 30 CO 0.02 0.43 1.17 0.08 -0.92 0.00 0.00 175.35 176.13 1cr5 s VAL 31 N -0.08 3.81 0.10 3.17 1.01 -0.86 -0.67 120.40 126.88 1cr5 s VAL 31 Ca 0.14 1.44 0.03 0.00 0.00 0.00 0.00 61.98 63.60 1cr5 s VAL 31 Cb -0.13 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 1cr5 s VAL 31 CO 0.03 0.19 -0.09 -0.94 0.00 0.00 0.00 175.10 174.29 1cr5 s SER 32 N 0.40 1.37 0.30 3.32 1.04 -0.35 0.45 113.70 120.23 1cr5 s SER 32 Ca 0.54 -0.84 -0.28 0.00 0.48 0.00 0.00 55.95 55.84 1cr5 s SER 32 Cb -0.31 0.03 -0.09 0.00 0.10 0.00 0.00 66.02 65.75 1cr5 s SER 32 CO 0.33 -0.30 1.05 0.21 0.98 0.00 0.00 173.24 175.52 1cr5 s ASN 33 N -2.55 7.25 -0.47 7.02 2.47 -1.26 -1.52 114.94 125.89 1cr5 s ASN 33 Ca 0.06 2.15 0.04 0.00 0.42 0.00 0.00 52.86 55.53 1cr5 s ASN 33 Cb -0.01 -2.61 0.17 0.00 -1.45 0.00 0.00 41.25 37.34 1cr5 s ASN 33 CO -0.01 -0.14 0.36 0.00 -3.72 0.00 0.00 177.10 173.59 1cr5 n PRO 35 N 2.72 0.39 -1.84 0.00 -0.04 -1.26 -4.06 135.00 130.91 1cr5 n PRO 35 Ca 0.27 -0.16 -0.42 0.00 -0.04 0.00 0.00 63.50 63.15 1cr5 n PRO 35 Cb 0.44 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.38 1cr5 n PRO 35 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1cr5 s ASN 36 N -2.72 6.53 0.65 3.54 3.84 -1.26 -4.69 114.94 120.82 1cr5 s ASN 36 Ca 0.21 2.61 0.31 0.00 0.21 0.00 0.00 52.86 56.20 1cr5 s ASN 36 Cb 0.19 -2.57 1.69 0.00 -0.55 0.00 0.00 41.25 40.01 1cr5 s ASN 36 CO 0.55 -0.93 1.98 -0.55 -2.79 0.00 0.00 177.10 175.37 1cr5 h ASN 37 N 8.22 0.00 0.47 -4.21 7.08 -1.96 0.38 115.58 125.56 1cr5 h ASN 37 Ca -0.44 0.00 -0.03 0.00 -3.08 0.00 0.00 56.30 52.75 1cr5 h ASN 37 Cb 1.21 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 37.44 1cr5 h ASN 37 CO 0.94 0.00 -0.14 0.28 -2.08 0.00 0.00 177.43 176.43 1cr5 h SER 38 N 0.00 0.00 0.00 6.14 0.02 -1.98 -3.14 113.55 114.59 1cr5 h SER 38 Ca 0.04 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.79 1cr5 h SER 38 Cb 0.66 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.17 1cr5 h SER 38 CO -0.00 0.14 -1.58 -1.22 -1.14 0.00 0.00 176.83 173.03 1cr5 n TYR 39 N -3.58 0.00 -0.21 3.45 4.02 -0.07 -4.46 117.16 116.31 1cr5 n TYR 39 Ca -0.01 0.00 0.29 0.00 -0.01 0.00 0.00 57.90 58.17 1cr5 n TYR 39 Cb 0.27 -0.49 0.72 0.00 -0.02 0.00 0.00 39.34 39.82 1cr5 n TYR 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1cr5 h ALA 40 N -0.55 2.87 -0.00 -0.72 0.00 -1.15 -0.10 119.26 119.61 1cr5 h ALA 40 Ca -0.31 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1cr5 h ALA 40 Cb 1.17 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1cr5 h ALA 40 CO -0.19 -1.15 -0.79 1.28 0.00 0.00 0.00 179.25 178.41 1cr5 n LEU 41 N -4.27 1.10 -0.70 0.00 4.32 -1.19 -4.24 117.00 112.02 1cr5 n LEU 41 Ca 0.20 -0.45 0.13 0.00 -0.02 0.00 0.00 56.01 55.87 1cr5 n LEU 41 Cb 1.01 -0.05 0.31 0.00 -1.62 0.00 0.00 43.42 43.07 1cr5 n LEU 41 CO 0.39 0.25 0.74 0.00 -1.22 0.00 0.00 177.39 177.55 1cr5 n ALA 42 N -1.20 2.55 -3.79 -1.18 0.00 -0.06 -4.73 120.51 112.10 1cr5 n ALA 42 Ca 0.06 -0.56 -0.32 0.00 0.00 0.00 0.00 53.44 52.61 1cr5 n ALA 42 Cb 0.36 -0.99 0.03 0.00 0.00 0.00 0.00 19.45 18.84 1cr5 n ALA 42 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1cr5 n ASN 43 N 0.70 -4.08 -4.49 0.00 5.15 -1.19 -4.91 115.26 106.44 1cr5 n ASN 43 Ca 0.16 -1.05 -0.26 0.00 -0.60 0.00 0.00 54.58 52.83 1cr5 n ASN 43 Cb 0.47 -3.09 -0.10 0.00 -0.53 0.00 0.00 39.78 36.53 1cr5 n ASN 43 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1cr5 s VAL 44 N -3.58 1.32 -0.33 3.44 -7.23 -1.26 -4.55 120.40 108.20 1cr5 s VAL 44 Ca 0.38 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.46 1cr5 s VAL 44 Cb -0.15 -2.68 0.02 0.00 0.56 0.00 0.00 36.38 34.13 1cr5 s VAL 44 CO 0.88 0.00 0.14 0.00 -0.31 0.00 0.00 175.10 175.81 1cr5 s ALA 45 N -3.05 3.15 -0.13 1.32 0.00 -0.35 -4.83 121.76 117.87 1cr5 s ALA 45 Ca 0.29 -1.61 -0.29 0.00 0.00 0.00 0.00 51.96 50.35 1cr5 s ALA 45 Cb 0.07 -2.35 -0.02 0.00 0.00 0.00 0.00 23.12 20.81 1cr5 s ALA 45 CO 0.14 -1.19 1.28 0.00 0.00 0.00 0.00 175.76 176.00 1cr5 s ALA 46 N 1.50 3.62 0.17 0.00 0.00 -0.72 -1.47 121.76 124.87 1cr5 s ALA 46 Ca 0.01 0.54 0.05 0.00 0.00 0.00 0.00 51.96 52.56 1cr5 s ALA 46 Cb -0.18 -3.61 -0.05 0.00 0.00 0.00 0.00 23.12 19.28 1cr5 s ALA 46 CO 0.04 -1.09 -0.09 0.14 0.00 0.00 0.00 175.76 174.77 1cr5 s VAL 47 N 3.22 1.20 0.35 0.00 -7.23 -0.29 -0.82 120.40 116.82 1cr5 s VAL 47 Ca 0.57 -2.07 -0.26 0.00 -1.81 0.00 0.00 61.98 58.41 1cr5 s VAL 47 Cb -0.24 -1.97 -0.10 0.00 0.56 0.00 0.00 36.38 34.64 1cr5 s VAL 47 CO 0.18 -0.65 1.00 -0.55 -0.31 0.00 0.00 175.10 174.76 1cr5 s SER 48 N -3.21 7.12 0.58 4.85 0.15 -1.26 -1.42 113.70 120.51 1cr5 s SER 48 Ca 0.20 1.94 0.28 0.00 0.70 0.00 0.00 55.95 59.07 1cr5 s SER 48 Cb 0.03 -2.59 1.63 0.00 -1.71 0.00 0.00 66.02 63.38 1cr5 s SER 48 CO 0.03 -0.23 2.10 -0.65 1.20 0.00 0.00 173.24 175.69 1cr5 h PRO 49 N 2.98 0.00 -0.21 5.44 0.11 -1.80 -1.62 132.00 136.90 1cr5 h PRO 49 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1cr5 h PRO 49 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1cr5 h PRO 49 CO 0.64 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.70 1cr5 n ASN 50 N -3.88 2.22 -0.11 -2.05 0.23 -1.26 -4.12 115.26 106.29 1cr5 n ASN 50 Ca 0.02 -1.79 -0.16 0.00 -0.53 0.00 0.00 54.58 52.12 1cr5 n ASN 50 Cb 0.33 -0.13 -0.11 0.00 -2.08 0.00 0.00 39.78 37.79 1cr5 n ASN 50 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1cr5 n ASP 51 N 0.69 2.18 -3.74 0.53 8.00 -0.62 -5.04 116.55 118.55 1cr5 n ASP 51 Ca 0.17 -0.12 -0.12 0.00 0.71 0.00 0.00 54.79 55.42 1cr5 n ASP 51 Cb 0.42 -0.34 -0.08 0.00 -0.02 0.00 0.00 41.12 41.10 1cr5 n ASP 51 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1cr5 s PHE 52 N -2.46 -0.16 0.87 1.24 0.40 -1.17 -5.00 117.98 111.70 1cr5 s PHE 52 Ca -0.31 0.13 -0.12 0.00 -0.60 0.00 0.00 56.93 56.03 1cr5 s PHE 52 Cb 0.08 0.11 0.11 0.00 0.51 0.00 0.00 43.02 43.83 1cr5 s PHE 52 CO 0.54 -0.47 1.12 -1.25 0.70 0.00 0.00 175.22 175.86 1cr5 s PRO 53 N -2.04 1.48 0.37 0.24 0.04 -1.26 -4.55 135.00 129.28 1cr5 s PRO 53 Ca -0.08 0.45 -0.19 0.00 0.04 0.00 0.00 61.00 61.22 1cr5 s PRO 53 Cb -0.03 -1.86 -0.10 0.00 0.04 0.00 0.00 34.50 32.55 1cr5 s PRO 53 CO 0.00 -2.00 0.86 1.21 0.04 0.00 0.00 177.00 177.11 1cr5 s ASN 54 N -3.94 6.92 -1.36 6.66 2.47 -1.26 -4.33 114.94 120.10 1cr5 s ASN 54 Ca 0.63 1.53 -0.04 0.00 0.42 0.00 0.00 52.86 55.40 1cr5 s ASN 54 Cb -0.15 -2.47 0.02 0.00 -1.45 0.00 0.00 41.25 37.20 1cr5 s ASN 54 CO 0.54 -0.26 0.80 -3.20 -3.72 0.00 0.00 177.10 171.26 1cr5 n ASN 55 N -0.36 -2.26 -4.44 -4.21 5.15 -0.34 -4.96 115.26 103.84 1cr5 n ASN 55 Ca 0.05 -0.79 -0.21 0.00 -0.60 0.00 0.00 54.58 53.02 1cr5 n ASN 55 Cb 0.53 -4.10 -0.10 0.00 -0.53 0.00 0.00 39.78 35.58 1cr5 n ASN 55 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1cr5 s ILE 56 N -3.56 1.48 0.05 -1.44 -4.36 -1.26 -4.83 121.20 107.29 1cr5 s ILE 56 Ca 0.18 -2.07 -0.21 0.00 -0.26 0.00 0.00 60.65 58.29 1cr5 s ILE 56 Cb -0.09 -2.57 -0.06 0.00 1.25 0.00 0.00 42.46 40.99 1cr5 s ILE 56 CO 0.81 -0.20 0.62 -0.31 0.24 0.00 0.00 174.94 176.10 1cr5 s TYR 57 N -3.11 3.76 0.08 1.37 4.12 -1.26 -0.30 117.35 122.01 1cr5 s TYR 57 Ca 0.32 1.30 0.03 0.00 0.02 0.00 0.00 57.07 58.74 1cr5 s TYR 57 Cb 0.06 -2.60 -0.03 0.00 -1.52 0.00 0.00 41.96 37.86 1cr5 s TYR 57 CO 0.13 0.46 -0.09 0.96 0.02 0.00 0.00 175.55 177.03 1cr5 s ILE 58 N -0.65 0.79 -0.08 2.71 -4.36 -0.19 -0.58 121.20 118.83 1cr5 s ILE 58 Ca 0.31 -1.48 0.04 0.00 -0.26 0.00 0.00 60.65 59.26 1cr5 s ILE 58 Cb -0.19 -1.15 -0.00 0.00 1.25 0.00 0.00 42.46 42.36 1cr5 s ILE 58 CO 0.19 -0.53 -0.22 -0.51 0.24 0.00 0.00 174.94 174.12 1cr5 s ILE 59 N -2.20 1.88 -0.18 8.37 2.07 0.10 -1.29 121.20 129.96 1cr5 s ILE 59 Ca 0.01 -0.93 -0.06 0.00 -1.41 0.00 0.00 60.65 58.26 1cr5 s ILE 59 Cb -0.04 -1.63 -0.04 0.00 0.13 0.00 0.00 42.46 40.89 1cr5 s ILE 59 CO -0.00 0.52 0.03 -0.63 -1.91 0.00 0.00 174.94 172.94 1cr5 s ILE 60 N 0.29 4.44 -1.47 2.00 1.09 0.26 -1.55 121.20 126.26 1cr5 s ILE 60 Ca -0.15 -0.16 -0.04 0.00 -1.10 0.00 0.00 60.65 59.20 1cr5 s ILE 60 Cb -0.17 -2.99 0.02 0.00 -1.06 0.00 0.00 42.46 38.27 1cr5 s ILE 60 CO 0.07 0.47 0.38 0.47 -0.10 0.00 0.00 174.94 176.22 1cr5 n ASP 61 N 3.60 -5.24 -1.74 3.58 8.00 0.12 -1.85 116.55 123.02 1cr5 n ASP 61 Ca -0.17 -0.18 -0.20 0.00 0.71 0.00 0.00 54.79 54.94 1cr5 n ASP 61 Cb 0.52 -4.30 -0.07 0.00 -0.02 0.00 0.00 41.12 37.25 1cr5 n ASP 61 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1cr5 n ASN 62 N -2.27 -5.54 0.00 -2.24 5.03 -1.26 -4.72 115.26 104.26 1cr5 n ASN 62 Ca -0.12 0.39 0.00 0.00 0.87 0.00 0.00 54.58 55.72 1cr5 n ASN 62 Cb 0.62 -4.78 0.00 0.00 -1.02 0.00 0.00 39.78 34.59 1cr5 n ASN 62 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1cr5 n LEU 63 N -2.46 0.00 -4.57 3.41 4.77 -0.88 -5.09 117.00 112.18 1cr5 n LEU 63 Ca -0.21 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.37 1cr5 n LEU 63 Cb 0.67 0.02 -0.10 0.00 -2.33 0.00 0.00 43.42 41.69 1cr5 n LEU 63 CO 0.31 -0.17 -0.04 -0.36 -1.33 0.00 0.00 177.39 175.79 1cr5 s PHE 64 N -1.35 3.22 -0.19 -1.77 0.40 -0.77 -4.89 117.98 112.63 1cr5 s PHE 64 Ca 0.00 0.09 -0.09 0.00 -0.60 0.00 0.00 56.93 56.33 1cr5 s PHE 64 Cb 0.00 -2.54 -0.05 0.00 0.51 0.00 0.00 43.02 40.94 1cr5 s PHE 64 CO 0.00 -0.30 0.10 0.08 0.70 0.00 0.00 175.22 175.80 1cr5 s VAL 65 N 1.92 5.13 0.10 -0.44 1.01 -1.26 0.91 120.40 127.78 1cr5 s VAL 65 Ca 0.10 0.09 -0.00 0.00 0.00 0.00 0.00 61.98 62.17 1cr5 s VAL 65 Cb -0.16 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 1cr5 s VAL 65 CO 0.11 0.46 -0.00 -0.36 0.00 0.00 0.00 175.10 175.31 1cr5 s PHE 66 N 0.29 0.78 -0.08 5.22 0.40 -0.41 -4.89 117.98 119.30 1cr5 s PHE 66 Ca 0.06 -1.10 -0.12 0.00 -0.60 0.00 0.00 56.93 55.17 1cr5 s PHE 66 Cb -0.12 -0.48 -0.05 0.00 0.51 0.00 0.00 43.02 42.89 1cr5 s PHE 66 CO -0.01 -0.38 0.30 0.99 0.70 0.00 0.00 175.22 176.83 1cr5 s THR 67 N -3.89 5.24 0.48 0.64 2.01 -1.26 -1.02 115.64 117.84 1cr5 s THR 67 Ca 0.16 0.59 -0.12 0.00 0.31 0.00 0.00 61.69 62.62 1cr5 s THR 67 Cb 0.07 -3.60 -0.06 0.00 0.01 0.00 0.00 72.50 68.91 1cr5 s THR 67 CO -0.03 0.54 0.89 0.42 -0.69 0.00 0.00 174.62 175.74 1cr5 s THR 68 N -0.62 4.69 -0.10 -0.82 -4.23 0.59 -1.21 115.64 113.93 1cr5 s THR 68 Ca 0.19 0.85 -0.04 0.00 -1.18 0.00 0.00 61.69 61.52 1cr5 s THR 68 Cb -0.14 -3.76 0.05 0.00 1.34 0.00 0.00 72.50 69.99 1cr5 s THR 68 CO 0.08 -0.70 0.20 -0.60 -0.54 0.00 0.00 174.62 173.07 1cr5 s ARG 69 N -4.19 0.10 0.57 3.99 3.52 -0.54 -1.20 118.95 121.20 1cr5 s ARG 69 Ca 0.54 0.61 -0.20 0.00 -0.13 0.00 0.00 55.73 56.55 1cr5 s ARG 69 Cb -0.10 -0.16 -0.04 0.00 -1.56 0.00 0.00 34.95 33.09 1cr5 s ARG 69 CO 0.35 -0.27 1.26 -1.01 -0.81 0.00 0.00 175.30 174.82 1cr5 s HIS 70 N 2.11 2.37 -0.11 5.12 3.76 -1.26 -1.14 115.29 126.13 1cr5 s HIS 70 Ca -0.00 1.47 -0.06 0.00 -0.15 0.00 0.00 55.06 56.32 1cr5 s HIS 70 Cb -0.12 -3.59 0.05 0.00 1.11 0.00 0.00 32.58 30.03 1cr5 s HIS 70 CO -0.07 -2.43 0.27 0.45 -0.85 0.00 0.00 174.74 172.12 1cr5 s SER 71 N -1.35 -0.31 0.01 1.40 0.15 -0.51 -4.80 113.70 108.29 1cr5 s SER 71 Ca 0.75 0.58 0.26 0.00 0.70 0.00 0.00 55.95 58.25 1cr5 s SER 71 Cb -0.34 0.48 0.72 0.00 -1.71 0.00 0.00 66.02 65.18 1cr5 s SER 71 CO 0.38 -0.16 1.57 0.59 1.20 0.00 0.00 173.24 176.82 1cr5 n ASN 72 N 4.06 0.36 -1.70 5.45 3.02 -1.26 -3.75 115.26 121.45 1cr5 n ASN 72 Ca -0.23 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.37 1cr5 n ASN 72 Cb 0.54 0.01 0.36 0.00 -0.61 0.00 0.00 39.78 40.08 1cr5 n ASN 72 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1cr5 n ASP 73 N -1.54 5.25 -4.04 6.41 8.00 -1.26 -4.87 116.55 124.50 1cr5 n ASP 73 Ca 0.06 -3.00 -0.31 0.00 0.71 0.00 0.00 54.79 52.25 1cr5 n ASP 73 Cb 0.34 -0.67 -0.16 0.00 -0.02 0.00 0.00 41.12 40.62 1cr5 n ASP 73 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1cr5 s ILE 74 N -2.82 1.80 0.06 0.53 2.07 -1.25 -5.10 121.20 116.49 1cr5 s ILE 74 Ca 0.52 -1.00 -0.37 0.00 -1.41 0.00 0.00 60.65 58.40 1cr5 s ILE 74 Cb 0.41 -1.78 -0.16 0.00 0.13 0.00 0.00 42.46 41.06 1cr5 s ILE 74 CO 0.14 0.30 1.42 -2.65 -1.91 0.00 0.00 174.94 172.24 1cr5 n PRO 75 N 4.65 1.30 -1.68 3.50 -0.02 -1.26 -4.47 135.00 137.02 1cr5 n PRO 75 Ca -0.17 0.47 -0.45 0.00 -2.02 0.00 0.00 63.50 61.33 1cr5 n PRO 75 Cb 0.48 -2.14 -0.04 0.00 -0.02 0.00 0.00 33.50 31.78 1cr5 n PRO 75 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1cr5 n PRO 76 N 2.98 2.42 0.00 0.52 -0.02 -1.26 -1.19 135.00 138.45 1cr5 n PRO 76 Ca 0.19 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.55 1cr5 n PRO 76 Cb 0.20 -2.72 0.00 0.00 -0.02 0.00 0.00 33.50 30.96 1cr5 n PRO 76 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1cr5 n GLY 77 N 4.04 0.78 3.48 -1.23 0.00 -1.26 -5.09 105.19 105.91 1cr5 n GLY 77 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 1cr5 n GLY 77 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1cr5 s THR 78 N -2.00 2.14 -0.02 2.61 -4.23 -0.33 -1.31 115.64 112.50 1cr5 s THR 78 Ca 0.00 -2.24 -0.00 0.00 -1.18 0.00 0.00 61.69 58.26 1cr5 s THR 78 Cb 0.00 -2.46 0.03 0.00 1.34 0.00 0.00 72.50 71.41 1cr5 s THR 78 CO 0.00 -0.31 0.03 -0.51 -0.54 0.00 0.00 174.62 173.30 1cr5 s ILE 79 N -2.70 -0.07 -0.13 2.99 2.07 0.16 -4.38 121.20 119.15 1cr5 s ILE 79 Ca 0.30 0.25 -0.10 0.00 -1.41 0.00 0.00 60.65 59.69 1cr5 s ILE 79 Cb 0.00 -0.09 -0.05 0.00 0.13 0.00 0.00 42.46 42.46 1cr5 s ILE 79 CO 0.14 0.10 0.20 -0.83 -1.91 0.00 0.00 174.94 172.64 1cr5 s GLY 80 N 1.24 2.18 0.04 1.50 0.00 0.00 -1.22 107.32 111.06 1cr5 s GLY 80 Ca -0.07 -0.57 0.01 0.00 0.00 0.00 0.00 44.72 44.09 1cr5 s GLY 80 CO -0.03 -0.03 -0.05 -1.36 0.00 0.00 0.00 173.10 171.63 1cr5 s PHE 81 N -0.39 0.54 0.88 1.90 2.99 -0.58 -1.75 117.98 121.57 1cr5 s PHE 81 Ca 0.14 -0.66 -0.13 0.00 0.00 0.00 0.00 56.93 56.29 1cr5 s PHE 81 Cb -0.12 -0.35 0.15 0.00 0.00 0.00 0.00 43.02 42.70 1cr5 s PHE 81 CO 0.04 -0.17 1.23 0.54 -0.00 0.00 0.00 175.22 176.85 1cr5 s ASN 82 N -1.96 3.74 0.27 1.36 2.20 -1.26 -1.35 114.94 117.94 1cr5 s ASN 82 Ca -0.06 0.35 -0.02 0.00 -0.94 0.00 0.00 52.86 52.19 1cr5 s ASN 82 Cb -0.05 -0.59 0.45 0.00 -2.00 0.00 0.00 41.25 39.05 1cr5 s ASN 82 CO -0.02 -2.34 1.86 1.23 -2.94 0.00 0.00 177.10 174.88 1cr5 h GLY 83 N -1.29 1.52 1.03 0.45 0.00 -1.97 -2.45 103.07 100.36 1cr5 h GLY 83 Ca -0.44 -0.43 -0.11 0.00 0.00 0.00 0.00 47.33 46.35 1cr5 h GLY 83 CO 0.47 0.25 -0.16 3.43 0.00 0.00 0.00 176.54 180.53 1cr5 h ASN 84 N 1.05 0.88 -0.56 0.19 4.21 -1.93 -1.28 115.58 118.15 1cr5 h ASN 84 Ca 0.45 -0.38 -0.06 0.00 1.21 0.00 0.00 56.30 57.51 1cr5 h ASN 84 Cb 0.30 -0.24 -0.03 0.00 -1.12 0.00 0.00 38.32 37.23 1cr5 h ASN 84 CO -0.21 1.07 0.14 1.56 -1.29 0.00 0.00 177.43 178.70 1cr5 h GLN 85 N 0.69 0.93 -0.45 0.81 4.20 -1.64 -0.32 115.11 119.34 1cr5 h GLN 85 Ca 0.10 -0.21 -0.12 0.00 0.06 0.00 0.00 58.65 58.48 1cr5 h GLN 85 Cb 0.71 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 1cr5 h GLN 85 CO 0.05 0.84 -0.21 0.00 -0.67 0.00 0.00 178.83 178.84 1cr5 h ARG 86 N 0.89 0.91 -0.72 1.46 3.08 -1.31 -1.39 114.38 117.30 1cr5 h ARG 86 Ca 0.19 -0.37 -0.04 0.00 0.07 0.00 0.00 59.98 59.83 1cr5 h ARG 86 Cb 0.33 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.31 1cr5 h ARG 86 CO 0.00 1.03 0.31 1.15 -1.07 0.00 0.00 179.97 181.38 1cr5 h THR 87 N 0.79 1.25 -0.10 2.04 2.02 -0.76 0.22 112.91 118.37 1cr5 h THR 87 Ca 0.11 -0.75 -0.00 0.00 0.77 0.00 0.00 66.41 66.54 1cr5 h THR 87 Cb 0.76 0.39 -0.00 0.00 -1.74 0.00 0.00 68.15 67.55 1cr5 h THR 87 CO 0.06 0.30 0.05 -0.25 0.37 0.00 0.00 175.52 176.06 1cr5 h TRP 88 N 1.03 0.14 0.00 3.16 7.01 -0.75 -2.53 115.95 124.00 1cr5 h TRP 88 Ca 0.24 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.24 1cr5 h TRP 88 Cb 0.18 -0.04 0.00 0.00 -2.10 0.00 0.00 29.16 27.20 1cr5 h TRP 88 CO 0.01 0.17 0.00 0.41 -2.79 0.00 0.00 178.44 176.25 1cr5 n GLY 89 N -0.89 -1.35 2.22 2.65 0.00 -0.55 -4.89 105.19 102.38 1cr5 n GLY 89 Ca -0.05 -0.09 -0.11 0.00 0.00 0.00 0.00 46.02 45.76 1cr5 n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cr5 n GLY 90 N 1.10 -0.04 3.82 -0.02 0.00 0.64 -5.00 105.19 105.69 1cr5 n GLY 90 Ca 0.07 -0.42 -0.37 0.00 0.00 0.00 0.00 46.02 45.30 1cr5 n GLY 90 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1cr5 s TRP 91 N -2.55 3.56 0.35 1.61 0.51 -0.32 -5.02 118.94 117.08 1cr5 s TRP 91 Ca 0.00 0.56 0.07 0.00 -2.12 0.00 0.00 56.10 54.61 1cr5 s TRP 91 Cb 0.00 -2.09 -0.01 0.00 -0.81 0.00 0.00 33.47 30.56 1cr5 s TRP 91 CO 0.00 0.56 0.49 -1.54 -0.51 0.00 0.00 176.95 175.95 1cr5 s SER 92 N -0.53 5.88 0.34 2.95 1.04 -1.26 -4.62 113.70 117.51 1cr5 s SER 92 Ca 0.15 -0.25 -0.29 0.00 0.48 0.00 0.00 55.95 56.04 1cr5 s SER 92 Cb -0.13 -1.09 -0.11 0.00 0.10 0.00 0.00 66.02 64.79 1cr5 s SER 92 CO 0.04 -0.50 1.52 0.18 0.98 0.00 0.00 173.24 175.45 1cr5 n LEU 93 N -1.68 4.54 0.00 2.42 4.77 -1.26 -1.77 117.00 124.02 1cr5 n LEU 93 Ca 0.02 1.20 0.00 0.00 -0.03 0.00 0.00 56.01 57.19 1cr5 n LEU 93 Cb 0.58 -1.60 0.00 0.00 -2.33 0.00 0.00 43.42 40.07 1cr5 n LEU 93 CO 0.41 0.12 0.00 0.59 -1.33 0.00 0.00 177.39 177.18 1cr5 n ASN 94 N 1.14 0.00 -4.70 -1.43 3.02 0.17 -4.95 115.26 108.52 1cr5 n ASN 94 Ca 0.04 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.16 1cr5 n ASN 94 Cb 0.38 -0.46 -0.03 0.00 -0.61 0.00 0.00 39.78 39.06 1cr5 n ASN 94 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1cr5 n GLN 95 N -2.00 2.59 -2.16 3.52 7.27 -0.73 -4.41 117.38 121.46 1cr5 n GLN 95 Ca 0.00 0.93 -0.37 0.00 0.07 0.00 0.00 57.00 57.63 1cr5 n GLN 95 Cb 0.00 -2.77 0.00 0.00 2.41 0.00 0.00 30.24 29.88 1cr5 n GLN 95 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1cr5 s ASP 96 N 1.44 5.93 0.04 1.69 -1.08 -1.26 -2.02 116.67 121.40 1cr5 s ASP 96 Ca 0.78 2.38 -0.09 0.00 -0.52 0.00 0.00 52.55 55.10 1cr5 s ASP 96 Cb -0.56 -2.61 0.00 0.00 -1.46 0.00 0.00 42.92 38.30 1cr5 s ASP 96 CO 0.35 -1.09 0.17 0.54 0.52 0.00 0.00 175.17 175.66 1cr5 s VAL 97 N -1.52 0.11 -0.18 1.11 0.11 0.12 -4.93 120.40 115.22 1cr5 s VAL 97 Ca 0.66 -0.93 -0.07 0.00 -2.93 0.00 0.00 61.98 58.72 1cr5 s VAL 97 Cb -0.30 -0.89 -0.04 0.00 -1.53 0.00 0.00 36.38 33.62 1cr5 s VAL 97 CO 0.36 -0.51 0.04 -1.10 -3.33 0.00 0.00 175.10 170.56 1cr5 s GLN 98 N -2.54 3.87 -0.03 1.54 -0.21 -1.26 -0.94 119.66 120.10 1cr5 s GLN 98 Ca -0.05 -0.40 0.04 0.00 0.02 0.00 0.00 55.36 54.97 1cr5 s GLN 98 Cb -0.01 -3.16 -0.00 0.00 1.00 0.00 0.00 33.01 30.83 1cr5 s GLN 98 CO -0.04 0.22 -0.15 0.00 -2.12 0.00 0.00 175.29 173.20 1cr5 s ALA 99 N 0.50 1.28 0.02 6.09 0.00 0.43 0.12 121.76 130.20 1cr5 s ALA 99 Ca 0.02 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 51.38 1cr5 s ALA 99 Cb -0.13 -0.40 -0.02 0.00 0.00 0.00 0.00 23.12 22.57 1cr5 s ALA 99 CO 0.01 0.26 -0.04 0.15 0.00 0.00 0.00 175.76 176.14 1cr5 s LYS 100 N -0.06 0.33 0.45 0.00 1.02 -0.59 -0.19 119.74 120.69 1cr5 s LYS 100 Ca -0.00 -0.61 -0.25 0.00 0.02 0.00 0.00 55.97 55.13 1cr5 s LYS 100 Cb -0.09 0.04 -0.09 0.00 -0.52 0.00 0.00 37.83 37.17 1cr5 s LYS 100 CO 0.01 -0.03 1.38 0.00 -0.92 0.00 0.00 175.35 175.79 1cr5 n ALA 101 N 1.65 1.79 -2.94 5.17 0.00 -1.26 0.03 120.51 124.95 1cr5 n ALA 101 Ca -0.23 0.25 -0.32 0.00 0.00 0.00 0.00 53.44 53.13 1cr5 n ALA 101 Cb 0.55 -2.35 -0.15 0.00 0.00 0.00 0.00 19.45 17.50 1cr5 n ALA 101 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1cr5 s PHE 102 N -1.20 2.66 -0.46 0.00 5.36 0.25 -4.67 117.98 119.93 1cr5 s PHE 102 Ca 0.62 -0.67 -0.07 0.00 -0.96 0.00 0.00 56.93 55.85 1cr5 s PHE 102 Cb -0.46 -1.73 0.12 0.00 -0.34 0.00 0.00 43.02 40.61 1cr5 s PHE 102 CO 0.57 -0.19 0.30 0.34 -1.46 0.00 0.00 175.22 174.78 1cr5 s ASP 103 N 0.06 5.54 0.06 6.13 -1.08 -1.26 -4.55 116.67 121.57 1cr5 s ASP 103 Ca -0.07 -2.00 -0.23 0.00 -0.52 0.00 0.00 52.55 49.72 1cr5 s ASP 103 Cb -0.15 -1.94 -0.14 0.00 -1.46 0.00 0.00 42.92 39.23 1cr5 s ASP 103 CO 0.05 -0.63 1.57 0.25 0.52 0.00 0.00 175.17 176.93 1cr5 h LEU 104 N 8.24 0.10 -2.03 -1.34 5.85 -1.98 -1.14 115.31 123.01 1cr5 h LEU 104 Ca -0.17 -0.20 0.13 0.00 0.84 0.00 0.00 57.88 58.48 1cr5 h LEU 104 Cb 1.06 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 1cr5 h LEU 104 CO 0.79 0.27 0.34 -0.26 -0.34 0.00 0.00 178.44 179.24 1cr5 h PHE 105 N -0.07 0.00 0.00 1.25 0.05 -1.93 0.18 116.94 116.42 1cr5 h PHE 105 Ca 0.02 0.00 -0.21 0.00 3.82 0.00 0.00 57.97 61.61 1cr5 h PHE 105 Cb 0.20 0.00 -0.03 0.00 2.00 0.00 0.00 35.95 38.12 1cr5 h PHE 105 CO -0.01 0.00 -1.37 -0.22 -0.18 0.00 0.00 178.31 176.53 1cr5 h LYS 106 N 0.00 0.00 0.31 1.51 3.64 -1.85 -2.98 116.57 117.19 1cr5 h LYS 106 Ca 0.20 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 1cr5 h LYS 106 Cb 0.88 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.70 1cr5 h LYS 106 CO -0.00 0.45 -0.15 -0.92 -2.27 0.00 0.00 179.45 176.56 1cr5 h TYR 107 N 0.00 -0.38 -0.80 1.91 3.20 0.53 -3.38 116.97 118.05 1cr5 h TYR 107 Ca -0.17 -0.01 -0.54 0.00 3.14 0.00 0.00 58.73 61.15 1cr5 h TYR 107 Cb 1.73 0.13 -0.31 0.00 1.54 0.00 0.00 36.73 39.81 1cr5 h TYR 107 CO 0.00 -0.24 0.09 -1.13 -1.64 0.00 0.00 178.16 175.25 1cr5 n SER 108 N -5.04 5.57 0.00 -2.11 3.41 0.32 -5.06 113.62 110.72 1cr5 n SER 108 Ca -0.05 -3.77 0.00 0.00 -0.26 0.00 0.00 58.87 54.79 1cr5 n SER 108 Cb 0.16 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 63.43 1cr5 n SER 108 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1cr5 n GLY 109 N -0.89 0.63 0.27 5.00 0.00 -1.13 -2.36 105.19 106.72 1cr5 n GLY 109 Ca 0.51 0.10 0.01 0.00 0.00 0.00 0.00 46.02 46.64 1cr5 n GLY 109 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1cr5 h LYS 110 N 0.00 0.48 -2.14 1.61 2.10 -1.96 -3.25 116.57 113.40 1cr5 h LYS 110 Ca 0.00 -0.09 -0.64 0.00 -2.00 0.00 0.00 60.65 57.92 1cr5 h LYS 110 Cb 0.00 -0.08 -0.20 0.00 -0.90 0.00 0.00 32.23 31.06 1cr5 h LYS 110 CO 0.00 0.49 0.99 0.00 -2.00 0.00 0.00 179.45 178.93 1cr5 n GLN 111 N -4.31 3.20 0.13 0.07 0.00 -0.99 -2.12 117.38 113.35 1cr5 n GLN 111 Ca 0.01 -3.05 0.13 0.00 0.00 0.00 0.00 57.00 54.09 1cr5 n GLN 111 Cb 0.22 -2.30 0.45 0.00 0.00 0.00 0.00 30.24 28.61 1cr5 n GLN 111 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.06 177.83 1cr5 h SER 112 N 3.42 0.00 -3.24 2.61 0.02 -1.64 -3.45 113.55 111.28 1cr5 h SER 112 Ca 0.51 0.00 -0.65 0.00 -0.84 0.00 0.00 61.79 60.81 1cr5 h SER 112 Cb 0.45 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 62.88 1cr5 h SER 112 CO 1.14 0.00 -0.62 -0.31 -1.14 0.00 0.00 176.83 175.91 1cr5 s TYR 113 N -3.22 3.14 -0.26 3.45 1.51 -1.26 0.60 117.35 121.31 1cr5 s TYR 113 Ca 0.07 0.08 -0.24 0.00 -1.01 0.00 0.00 57.07 55.98 1cr5 s TYR 113 Cb 0.11 -1.64 -0.00 0.00 -0.11 0.00 0.00 41.96 40.31 1cr5 s TYR 113 CO 0.51 0.51 0.81 -0.51 -1.11 0.00 0.00 175.55 175.76 1cr5 s LEU 114 N -2.06 4.07 0.06 -1.29 1.43 -0.14 -1.64 118.68 119.11 1cr5 s LEU 114 Ca 0.25 0.92 -0.03 0.00 -1.03 0.00 0.00 54.13 54.24 1cr5 s LEU 114 Cb -0.12 -3.15 -0.28 0.00 0.03 0.00 0.00 46.19 42.68 1cr5 s LEU 114 CO 0.17 -0.54 1.07 1.23 0.23 0.00 0.00 176.35 178.51 1cr5 h GLY 115 N 9.27 0.28 -2.79 -3.19 0.00 0.20 -3.37 103.07 103.46 1cr5 h GLY 115 Ca -0.23 -0.71 -0.03 0.00 0.00 0.00 0.00 47.33 46.36 1cr5 h GLY 115 CO 0.87 0.63 0.04 -1.35 0.00 0.00 0.00 176.54 176.73 1cr5 s SER 116 N -7.06 -0.31 -0.20 0.19 1.04 -0.55 -0.59 113.70 106.22 1cr5 s SER 116 Ca -0.05 -0.35 -0.11 0.00 0.48 0.00 0.00 55.95 55.93 1cr5 s SER 116 Cb 0.07 0.56 0.07 0.00 0.10 0.00 0.00 66.02 66.82 1cr5 s SER 116 CO 0.87 -0.99 0.48 -0.51 0.98 0.00 0.00 173.24 174.07 1cr5 s ILE 117 N -3.83 -0.10 -0.20 -1.02 2.07 0.81 -1.90 121.20 117.03 1cr5 s ILE 117 Ca 0.06 0.08 -0.08 0.00 -1.41 0.00 0.00 60.65 59.30 1cr5 s ILE 117 Cb -0.00 -0.72 -0.04 0.00 0.13 0.00 0.00 42.46 41.83 1cr5 s ILE 117 CO -0.07 0.03 0.07 -1.81 -1.91 0.00 0.00 174.94 171.25 1cr5 s ASP 118 N 1.61 5.61 -0.07 4.50 -0.00 -0.62 -0.34 116.67 127.35 1cr5 s ASP 118 Ca -0.09 0.04 0.04 0.00 -0.00 0.00 0.00 52.55 52.55 1cr5 s ASP 118 Cb -0.08 -1.97 0.00 0.00 -0.00 0.00 0.00 42.92 40.87 1cr5 s ASP 118 CO -0.15 0.14 -0.19 -0.63 -0.00 0.00 0.00 175.17 174.34 1cr5 s ILE 119 N 0.60 1.64 -0.31 0.77 1.01 0.27 -0.18 121.20 125.00 1cr5 s ILE 119 Ca 0.04 -0.80 -0.22 0.00 0.00 0.00 0.00 60.65 59.67 1cr5 s ILE 119 Cb -0.13 -1.43 -0.00 0.00 0.01 0.00 0.00 42.46 40.91 1cr5 s ILE 119 CO 0.01 0.47 0.69 -1.81 0.00 0.00 0.00 174.94 174.30 1cr5 s ASP 120 N 0.27 6.55 -0.01 3.58 1.01 -0.26 0.18 116.67 127.99 1cr5 s ASP 120 Ca -0.11 0.48 0.08 0.00 0.71 0.00 0.00 52.55 53.71 1cr5 s ASP 120 Cb -0.15 -2.36 -0.02 0.00 1.01 0.00 0.00 42.92 41.40 1cr5 s ASP 120 CO 0.05 -0.55 -0.26 -0.51 0.21 0.00 0.00 175.17 174.11 1cr5 s ILE 121 N 2.76 2.10 -0.07 0.77 2.07 -0.31 -1.28 121.20 127.23 1cr5 s ILE 121 Ca 0.28 -1.13 -0.16 0.00 -1.41 0.00 0.00 60.65 58.23 1cr5 s ILE 121 Cb -0.14 -1.73 0.03 0.00 0.13 0.00 0.00 42.46 40.75 1cr5 s ILE 121 CO 0.13 0.56 0.39 -0.94 -1.91 0.00 0.00 174.94 173.16 1cr5 s SER 122 N -0.68 -0.33 0.52 4.50 1.04 -1.00 -4.88 113.70 112.87 1cr5 s SER 122 Ca 0.10 0.45 -0.23 0.00 0.48 0.00 0.00 55.95 56.75 1cr5 s SER 122 Cb -0.10 0.54 -0.06 0.00 0.10 0.00 0.00 66.02 66.51 1cr5 s SER 122 CO -0.01 -0.34 1.35 -0.36 0.98 0.00 0.00 173.24 174.86 1cr5 s PHE 123 N -0.69 2.39 0.19 5.02 0.40 -1.26 -0.44 117.98 123.59 1cr5 s PHE 123 Ca -0.08 1.37 -0.28 0.00 -0.60 0.00 0.00 56.93 57.34 1cr5 s PHE 123 Cb -0.04 -3.78 -0.08 0.00 0.51 0.00 0.00 43.02 39.64 1cr5 s PHE 123 CO 0.03 -2.74 0.88 0.50 0.70 0.00 0.00 175.22 174.59 1cr5 s ARG 124 N -2.78 4.73 0.00 0.44 3.52 -0.54 -4.70 118.95 119.61 1cr5 s ARG 124 Ca 0.68 1.36 0.00 0.00 -0.13 0.00 0.00 55.73 57.64 1cr5 s ARG 124 Cb -0.40 -3.29 0.00 0.00 -1.56 0.00 0.00 34.95 29.70 1cr5 s ARG 124 CO 0.48 0.49 0.00 0.00 -0.81 0.00 0.00 175.30 175.46 1cr5 n ALA 125 N 1.74 0.00 -2.12 6.12 0.00 -1.26 -4.96 120.51 120.03 1cr5 n ALA 125 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1cr5 n ALA 125 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 1cr5 n ALA 125 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1cr5 n ASP 135 N 0.00 -4.76 -0.27 0.00 -0.08 -1.26 -5.14 116.55 105.05 1cr5 n ASP 135 Ca 0.00 0.49 0.04 0.00 -1.51 0.00 0.00 54.79 53.81 1cr5 n ASP 135 Cb 0.00 -1.02 0.13 0.00 2.34 0.00 0.00 41.12 42.57 1cr5 n ASP 135 CO 0.00 0.00 0.00 -0.61 0.12 0.00 0.00 177.20 176.71 1cr5 h GLN 136 N 3.51 0.04 -0.87 -0.67 5.75 -1.99 0.86 115.11 121.73 1cr5 h GLN 136 Ca 0.00 -0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 1cr5 h GLN 136 Cb 0.26 -0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.76 1cr5 h GLN 136 CO 0.00 0.03 0.51 -0.44 -2.65 0.00 0.00 178.83 176.28 1cr5 h ASP 137 N 0.04 1.05 -0.07 -0.69 3.45 -1.99 -0.61 116.42 117.61 1cr5 h ASP 137 Ca 0.40 -0.07 -0.23 0.00 0.43 0.00 0.00 57.03 57.56 1cr5 h ASP 137 Cb 0.67 -0.27 0.01 0.00 -0.56 0.00 0.00 39.33 39.18 1cr5 h ASP 137 CO -0.75 0.82 -0.82 -0.33 -1.57 0.00 0.00 179.24 176.59 1cr5 h GLU 138 N 1.20 0.73 -0.79 3.56 4.39 -1.43 -2.09 114.58 120.16 1cr5 h GLU 138 Ca 0.31 -0.63 -0.04 0.00 0.34 0.00 0.00 59.36 59.35 1cr5 h GLU 138 Cb -0.03 0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 28.72 1cr5 h GLU 138 CO -0.06 1.23 0.35 -0.07 -1.16 0.00 0.00 179.01 179.30 1cr5 h LEU 139 N 0.48 1.06 -0.52 1.33 3.38 -0.71 -1.77 115.31 118.56 1cr5 h LEU 139 Ca -0.06 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 1cr5 h LEU 139 Cb 1.45 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 1cr5 h LEU 139 CO 0.16 0.92 0.23 0.00 0.09 0.00 0.00 178.44 179.85 1cr5 h ALA 140 N 1.18 0.67 0.10 1.53 0.00 -1.05 -1.19 119.26 120.51 1cr5 h ALA 140 Ca 0.27 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1cr5 h ALA 140 Cb 0.16 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1cr5 h ALA 140 CO -0.03 0.26 -0.06 0.87 0.00 0.00 0.00 179.25 180.29 1cr5 h LYS 141 N 0.70 -0.15 -0.98 0.00 1.57 -1.06 -1.56 116.57 115.08 1cr5 h LYS 141 Ca 0.18 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 59.05 1cr5 h LYS 141 Cb 0.15 0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.42 1cr5 h LYS 141 CO -0.02 -0.10 0.63 0.37 -0.57 0.00 0.00 179.45 179.76 1cr5 h GLN 142 N -0.15 1.06 -0.11 3.15 5.75 -1.19 0.19 115.11 123.81 1cr5 h GLN 142 Ca -0.01 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.42 1cr5 h GLN 142 Cb 0.13 -0.24 -0.01 0.00 1.07 0.00 0.00 27.48 28.43 1cr5 h GLN 142 CO 0.01 0.70 0.05 0.35 -2.65 0.00 0.00 178.83 177.30 1cr5 h PHE 143 N 1.09 0.16 -0.41 3.99 3.57 -0.77 0.27 116.94 124.84 1cr5 h PHE 143 Ca 0.44 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.85 1cr5 h PHE 143 Cb 0.27 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 1cr5 h PHE 143 CO -0.00 0.22 -0.07 0.28 -2.23 0.00 0.00 178.31 176.51 1cr5 h VAL 144 N 0.05 1.24 -0.35 1.41 2.07 -0.72 0.05 116.25 120.00 1cr5 h VAL 144 Ca 0.04 -1.07 -0.03 0.00 0.82 0.00 0.00 66.70 66.46 1cr5 h VAL 144 Cb 0.12 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1cr5 h VAL 144 CO -0.00 0.37 0.09 -0.09 0.02 0.00 0.00 177.57 177.95 1cr5 h ARG 145 N 0.65 0.56 0.14 1.57 2.43 -0.25 -1.65 114.38 117.83 1cr5 h ARG 145 Ca 0.12 -0.13 -0.28 0.00 -0.81 0.00 0.00 59.98 58.88 1cr5 h ARG 145 Cb 0.51 -0.08 0.01 0.00 -0.42 0.00 0.00 29.97 29.99 1cr5 h ARG 145 CO 0.03 0.60 -1.27 0.00 -1.51 0.00 0.00 179.97 177.82 1cr5 n TYR 147 N -3.54 0.16 -1.62 0.00 4.02 -0.01 -4.97 117.16 111.20 1cr5 n TYR 147 Ca -0.09 -0.66 -0.44 0.00 -0.01 0.00 0.00 57.90 56.69 1cr5 n TYR 147 Cb 1.03 -0.10 -0.01 0.00 -0.02 0.00 0.00 39.34 40.24 1cr5 n TYR 147 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 1cr5 n GLU 148 N -0.57 1.61 -0.82 -0.72 2.13 -0.62 -1.02 120.64 120.62 1cr5 n GLU 148 Ca 0.08 0.56 0.00 0.00 0.66 0.00 0.00 57.16 58.46 1cr5 n GLU 148 Cb 0.44 -2.02 0.00 0.00 0.27 0.00 0.00 31.44 30.13 1cr5 n GLU 148 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1cr5 n SER 149 N 1.20 0.00 -4.87 4.31 7.64 0.94 -4.98 113.62 117.86 1cr5 n SER 149 Ca 0.09 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.66 1cr5 n SER 149 Cb 0.33 -0.22 -0.03 0.00 -1.01 0.00 0.00 64.21 63.27 1cr5 n SER 149 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1cr5 s GLN 150 N -0.08 3.81 -0.02 1.43 -0.21 -0.19 -4.70 119.66 119.69 1cr5 s GLN 150 Ca 0.00 0.52 -0.14 0.00 0.02 0.00 0.00 55.36 55.76 1cr5 s GLN 150 Cb 0.00 -2.38 -0.05 0.00 1.00 0.00 0.00 33.01 31.58 1cr5 s GLN 150 CO 0.00 -0.04 0.37 0.42 -2.12 0.00 0.00 175.29 173.93 1cr5 s ILE 151 N -2.36 5.10 0.11 1.08 1.01 -1.26 -0.69 121.20 124.19 1cr5 s ILE 151 Ca 0.52 0.75 0.04 0.00 0.00 0.00 0.00 60.65 61.96 1cr5 s ILE 151 Cb -0.10 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.66 1cr5 s ILE 151 CO 0.30 0.57 -0.10 -0.36 0.00 0.00 0.00 174.94 175.35 1cr5 s PHE 152 N -0.98 1.12 0.02 3.97 0.40 -0.15 -4.87 117.98 117.48 1cr5 s PHE 152 Ca 0.22 -0.70 -0.15 0.00 -0.60 0.00 0.00 56.93 55.71 1cr5 s PHE 152 Cb -0.16 -0.60 0.02 0.00 0.51 0.00 0.00 43.02 42.79 1cr5 s PHE 152 CO 0.12 0.02 0.32 -1.54 0.70 0.00 0.00 175.22 174.83 1cr5 s SER 153 N -2.69 -0.17 0.58 1.36 1.04 -1.26 -1.83 113.70 110.73 1cr5 s SER 153 Ca 0.09 -0.04 -0.18 0.00 0.48 0.00 0.00 55.95 56.30 1cr5 s SER 153 Cb -0.01 0.34 -0.07 0.00 0.10 0.00 0.00 66.02 66.39 1cr5 s SER 153 CO -0.00 -0.54 0.74 -2.65 0.98 0.00 0.00 173.24 171.77 1cr5 n PRO 154 N 0.89 0.70 0.00 4.02 -0.02 -1.26 -1.72 135.00 137.60 1cr5 n PRO 154 Ca -0.20 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 1cr5 n PRO 154 Cb 0.58 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 1cr5 n PRO 154 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1cr5 n THR 155 N -1.70 0.00 -1.70 3.45 -2.24 0.13 -4.00 114.28 108.22 1cr5 n THR 155 Ca 0.13 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.47 1cr5 n THR 155 Cb 0.47 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.68 1cr5 n THR 155 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1cr5 n GLN 156 N -2.00 2.29 -4.70 -0.78 7.27 -0.70 -4.62 117.38 114.14 1cr5 n GLN 156 Ca 0.00 0.81 -0.33 0.00 0.07 0.00 0.00 57.00 57.55 1cr5 n GLN 156 Cb 0.00 -2.50 -0.15 0.00 2.41 0.00 0.00 30.24 30.00 1cr5 n GLN 156 CO 0.00 0.00 0.00 -0.47 0.07 0.00 0.00 177.06 176.66 1cr5 s TYR 157 N -0.26 2.74 0.19 3.69 6.04 -1.26 -0.13 117.35 128.36 1cr5 s TYR 157 Ca 0.64 -0.98 -0.07 0.00 0.04 0.00 0.00 57.07 56.70 1cr5 s TYR 157 Cb -0.58 -1.84 -0.02 0.00 -1.04 0.00 0.00 41.96 38.48 1cr5 s TYR 157 CO 0.52 -0.42 0.26 -0.48 -1.54 0.00 0.00 175.55 173.89 1cr5 s LEU 158 N 0.64 0.98 -0.12 6.97 2.34 0.58 -3.98 118.68 126.09 1cr5 s LEU 158 Ca -0.09 -1.07 -0.01 0.00 0.06 0.00 0.00 54.13 53.02 1cr5 s LEU 158 Cb -0.16 0.98 -0.02 0.00 -0.56 0.00 0.00 46.19 46.43 1cr5 s LEU 158 CO 0.02 -0.91 -0.08 -0.63 -1.06 0.00 0.00 176.35 173.69 1cr5 s ILE 159 N -4.04 3.50 -0.02 1.48 1.01 -1.26 -0.11 121.20 121.75 1cr5 s ILE 159 Ca 0.25 -0.52 0.03 0.00 0.00 0.00 0.00 60.65 60.41 1cr5 s ILE 159 Cb 0.04 -2.48 -0.00 0.00 0.01 0.00 0.00 42.46 40.03 1cr5 s ILE 159 CO 0.05 0.53 -0.10 -0.32 0.00 0.00 0.00 174.94 175.10 1cr5 s MET 160 N 0.06 0.97 -0.06 2.79 -2.45 -0.51 -4.63 119.30 115.46 1cr5 s MET 160 Ca -0.02 -0.36 -0.11 0.00 -1.25 0.00 0.00 55.69 53.94 1cr5 s MET 160 Cb -0.14 -0.91 -0.05 0.00 1.25 0.00 0.00 34.83 34.98 1cr5 s MET 160 CO 0.03 0.17 0.29 -2.00 1.05 0.00 0.00 175.02 174.56 1cr5 s GLU 161 N -0.01 3.75 -0.20 4.11 -6.30 -1.26 -0.23 118.70 118.57 1cr5 s GLU 161 Ca 0.00 0.16 -0.04 0.00 -2.50 0.00 0.00 54.97 52.59 1cr5 s GLU 161 Cb -0.07 -3.23 0.10 0.00 0.00 0.00 0.00 34.13 30.93 1cr5 s GLU 161 CO 0.00 0.69 0.26 0.12 0.02 0.00 0.00 175.26 176.35 1cr5 s PHE 162 N -0.92 -0.43 -1.18 5.30 5.36 0.15 -4.94 117.98 121.33 1cr5 s PHE 162 Ca 0.19 0.48 -0.18 0.00 -0.96 0.00 0.00 56.93 56.47 1cr5 s PHE 162 Cb -0.14 -0.22 -0.01 0.00 -0.34 0.00 0.00 43.02 42.31 1cr5 s PHE 162 CO 0.09 -0.59 0.74 1.04 -1.46 0.00 0.00 175.22 175.04 1cr5 n GLN 163 N 5.33 -1.56 -0.51 10.12 6.02 -1.26 -1.61 117.38 133.91 1cr5 n GLN 163 Ca -0.05 0.44 0.00 0.00 -0.01 0.00 0.00 57.00 57.38 1cr5 n GLN 163 Cb 0.50 -4.15 0.00 0.00 1.02 0.00 0.00 30.24 27.61 1cr5 n GLN 163 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1cr5 n GLY 164 N -1.73 1.66 3.49 1.08 0.00 -1.26 -5.01 105.19 103.42 1cr5 n GLY 164 Ca -0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 1cr5 n GLY 164 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1cr5 s HIS 165 N -3.22 2.58 -0.09 1.61 3.76 -0.63 -5.12 115.29 114.17 1cr5 s HIS 165 Ca 0.00 -0.24 -0.05 0.00 -0.15 0.00 0.00 55.06 54.62 1cr5 s HIS 165 Cb 0.00 -1.42 -0.04 0.00 1.11 0.00 0.00 32.58 32.23 1cr5 s HIS 165 CO 0.00 0.33 0.13 -0.06 -0.85 0.00 0.00 174.74 174.29 1cr5 s PHE 166 N -1.04 3.52 0.08 1.40 2.99 -1.26 0.34 117.98 124.01 1cr5 s PHE 166 Ca 0.17 0.44 0.04 0.00 0.00 0.00 0.00 56.93 57.58 1cr5 s PHE 166 Cb -0.11 -1.89 -0.03 0.00 0.00 0.00 0.00 43.02 40.99 1cr5 s PHE 166 CO 0.08 0.68 -0.11 -0.06 -0.00 0.00 0.00 175.22 175.81 1cr5 s PHE 167 N -1.07 1.02 -0.23 0.36 0.40 0.69 -1.47 117.98 117.68 1cr5 s PHE 167 Ca 0.17 -0.55 -0.11 0.00 -0.60 0.00 0.00 56.93 55.84 1cr5 s PHE 167 Cb -0.12 -0.57 -0.05 0.00 0.51 0.00 0.00 43.02 42.79 1cr5 s PHE 167 CO 0.07 0.00 0.19 -0.51 0.70 0.00 0.00 175.22 175.67 1cr5 s ASP 168 N -2.00 6.18 -0.12 1.36 1.01 0.42 -1.42 116.67 122.10 1cr5 s ASP 168 Ca -0.01 0.19 0.01 0.00 0.71 0.00 0.00 52.55 53.45 1cr5 s ASP 168 Cb -0.07 -2.12 -0.01 0.00 1.01 0.00 0.00 42.92 41.73 1cr5 s ASP 168 CO 0.01 0.07 -0.16 -0.76 0.21 0.00 0.00 175.17 174.54 1cr5 s LEU 169 N 0.96 2.56 -0.18 1.23 1.43 0.84 -2.37 118.68 123.15 1cr5 s LEU 169 Ca 0.09 -0.38 0.01 0.00 -1.03 0.00 0.00 54.13 52.83 1cr5 s LEU 169 Cb -0.13 -1.55 0.03 0.00 0.03 0.00 0.00 46.19 44.56 1cr5 s LEU 169 CO 0.04 0.18 -0.17 -0.75 0.23 0.00 0.00 176.35 175.88 1cr5 s LYS 170 N 0.26 2.70 -0.32 1.70 2.47 -0.41 -0.31 119.74 125.83 1cr5 s LYS 170 Ca -0.11 -0.82 -0.29 0.00 -1.56 0.00 0.00 55.97 53.19 1cr5 s LYS 170 Cb -0.16 -2.48 -0.01 0.00 -1.46 0.00 0.00 37.83 33.72 1cr5 s LYS 170 CO 0.06 -0.26 1.52 0.42 0.16 0.00 0.00 175.35 177.24 1cr5 s ILE 171 N 1.32 3.81 -0.07 5.43 -1.09 0.81 -1.10 121.20 130.32 1cr5 s ILE 171 Ca 0.03 0.88 -0.15 0.00 -2.23 0.00 0.00 60.65 59.18 1cr5 s ILE 171 Cb -0.14 -3.95 -0.11 0.00 -1.58 0.00 0.00 42.46 36.68 1cr5 s ILE 171 CO -0.11 -0.50 0.56 -0.09 -1.23 0.00 0.00 174.94 173.56 1cr5 h ARG 172 N 10.81 -0.20 -3.88 2.79 2.43 -0.90 0.36 114.38 125.79 1cr5 h ARG 172 Ca -0.30 0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 58.78 1cr5 h ARG 172 Cb 1.13 0.04 -0.12 0.00 -0.42 0.00 0.00 29.97 30.60 1cr5 h ARG 172 CO 1.04 0.13 -0.30 0.54 -1.51 0.00 0.00 179.97 179.87 1cr5 s ASN 173 N -5.47 0.01 0.09 -3.80 4.22 -1.20 -4.42 114.94 104.38 1cr5 s ASN 173 Ca -0.09 -0.91 0.01 0.00 -2.14 0.00 0.00 52.86 49.73 1cr5 s ASN 173 Cb -0.00 0.46 -0.04 0.00 1.28 0.00 0.00 41.25 42.95 1cr5 s ASN 173 CO 0.31 -0.94 -0.05 -0.69 -2.04 0.00 0.00 177.10 173.69 1cr5 s VAL 174 N -3.99 0.56 -0.20 3.54 1.01 -0.19 -1.59 120.40 119.55 1cr5 s VAL 174 Ca 0.20 -1.91 -0.05 0.00 0.00 0.00 0.00 61.98 60.23 1cr5 s VAL 174 Cb 0.03 -1.67 0.10 0.00 0.00 0.00 0.00 36.38 34.84 1cr5 s VAL 174 CO 0.03 -0.88 0.34 -1.58 0.00 0.00 0.00 175.10 173.00 1cr5 s GLN 175 N -3.86 0.27 0.52 2.72 0.74 -0.80 0.57 119.66 119.81 1cr5 s GLN 175 Ca 0.11 0.68 -0.16 0.00 0.05 0.00 0.00 55.36 56.04 1cr5 s GLN 175 Cb 0.06 -0.25 -0.08 0.00 1.10 0.00 0.00 33.01 33.84 1cr5 s GLN 175 CO -0.06 -0.45 0.99 0.00 -0.55 0.00 0.00 175.29 175.23 1cr5 s ALA 176 N 2.50 3.05 -0.29 1.58 0.00 -1.26 0.20 121.76 127.53 1cr5 s ALA 176 Ca 0.05 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.20 1cr5 s ALA 176 Cb -0.14 -3.12 0.09 0.00 0.00 0.00 0.00 23.12 19.95 1cr5 s ALA 176 CO -0.13 -0.26 0.06 -1.50 0.00 0.00 0.00 175.76 173.93 1cr5 s ILE 177 N -2.62 1.25 0.82 0.00 2.07 -0.65 -4.20 121.20 117.87 1cr5 s ILE 177 Ca 0.59 -1.50 -0.15 0.00 -1.41 0.00 0.00 60.65 58.18 1cr5 s ILE 177 Cb -0.10 -1.85 -0.13 0.00 0.13 0.00 0.00 42.46 40.50 1cr5 s ILE 177 CO 0.32 -0.53 -0.64 0.47 -1.91 0.00 0.00 174.94 172.65 1cr5 n ASP 178 N 4.71 -5.02 -4.68 4.50 9.92 -1.26 -4.56 116.55 120.15 1cr5 n ASP 178 Ca -0.03 0.19 -0.42 0.00 -0.53 0.00 0.00 54.79 54.00 1cr5 n ASP 178 Cb 0.43 -0.66 -0.03 0.00 -0.64 0.00 0.00 41.12 40.22 1cr5 n ASP 178 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1cr5 s LEU 179 N 6.64 4.32 0.00 0.64 1.43 -0.90 -2.86 118.68 127.94 1cr5 s LEU 179 Ca 0.36 2.18 0.00 0.00 -1.03 0.00 0.00 54.13 55.63 1cr5 s LEU 179 Cb -0.18 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.48 1cr5 s LEU 179 CO 0.70 -0.79 0.00 0.61 0.23 0.00 0.00 176.35 177.10 1cr5 n GLY 180 N 3.79 0.50 3.50 -3.19 0.00 -1.26 -5.06 105.19 103.47 1cr5 n GLY 180 Ca 0.14 -0.73 -0.32 0.00 0.00 0.00 0.00 46.02 45.12 1cr5 n GLY 180 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1cr5 s ASP 181 N -2.66 4.09 0.40 1.61 1.01 -1.14 -5.01 116.67 114.98 1cr5 s ASP 181 Ca 0.00 -0.28 0.23 0.00 0.71 0.00 0.00 52.55 53.21 1cr5 s ASP 181 Cb 0.00 -0.81 0.40 0.00 1.01 0.00 0.00 42.92 43.52 1cr5 s ASP 181 CO 0.00 0.29 1.63 0.16 0.21 0.00 0.00 175.17 177.46 1cr5 h ILE 182 N 4.00 0.00 -4.22 0.77 3.07 -1.97 -3.47 117.51 115.70 1cr5 h ILE 182 Ca -0.47 -0.93 -0.16 0.00 1.55 0.00 0.00 64.86 64.85 1cr5 h ILE 182 Cb 1.16 1.92 -0.14 0.00 -0.27 0.00 0.00 36.82 39.49 1cr5 h ILE 182 CO 0.50 0.00 -0.48 -1.83 -1.05 0.00 0.00 178.15 175.29 1cr5 s GLU 183 N -3.20 1.15 0.70 0.16 -1.05 -1.26 -5.16 118.70 110.04 1cr5 s GLU 183 Ca 0.07 -1.39 -0.11 0.00 -0.15 0.00 0.00 54.97 53.39 1cr5 s GLU 183 Cb 0.06 0.32 0.01 0.00 -0.44 0.00 0.00 34.13 34.08 1cr5 s GLU 183 CO 0.66 -0.39 1.06 -2.14 0.95 0.00 0.00 175.26 175.40 1cr5 s PRO 184 N -4.05 2.92 0.00 -4.83 0.02 -1.26 -4.63 135.00 123.17 1cr5 s PRO 184 Ca 0.26 0.88 0.00 0.00 0.02 0.00 0.00 61.00 62.16 1cr5 s PRO 184 Cb 0.05 -1.99 0.00 0.00 0.02 0.00 0.00 34.50 32.58 1cr5 s PRO 184 CO 0.05 -1.09 0.00 0.25 -0.33 0.00 0.00 177.00 175.88 1cr5 n THR 185 N -3.11 0.00 -1.71 0.99 -2.24 -1.26 -5.03 114.28 101.92 1cr5 n THR 185 Ca 0.07 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.54 1cr5 n THR 185 Cb 0.54 -0.28 0.04 0.00 -2.10 0.00 0.00 70.33 68.52 1cr5 n THR 185 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1cr5 s SER 186 N -2.01 5.50 0.67 3.42 0.01 -1.26 -5.02 113.70 115.01 1cr5 s SER 186 Ca 0.00 1.67 -0.11 0.00 1.31 0.00 0.00 55.95 58.82 1cr5 s SER 186 Cb 0.00 -2.51 -0.01 0.00 0.21 0.00 0.00 66.02 63.72 1cr5 s SER 186 CO 0.00 -1.36 1.06 0.00 0.41 0.00 0.00 173.24 173.35 1cr5 s ALA 187 N -2.88 2.91 0.26 1.44 0.00 -1.26 -4.83 121.76 117.41 1cr5 s ALA 187 Ca 0.60 -0.18 -0.31 0.00 0.00 0.00 0.00 51.96 52.07 1cr5 s ALA 187 Cb -0.14 -3.07 -0.12 0.00 0.00 0.00 0.00 23.12 19.78 1cr5 s ALA 187 CO 0.50 -1.00 1.53 0.28 0.00 0.00 0.00 175.76 177.08 1cr5 n VAL 188 N -2.94 0.84 -4.34 0.00 0.31 -1.26 -4.79 118.33 106.15 1cr5 n VAL 188 Ca 0.07 -0.21 -0.33 0.00 -0.01 0.00 0.00 64.34 63.86 1cr5 n VAL 188 Cb 0.55 -1.75 -0.09 0.00 -0.91 0.00 0.00 33.84 31.64 1cr5 n VAL 188 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1cr5 s ALA 189 N 0.14 3.21 -0.08 3.52 0.00 0.19 -4.94 121.76 123.80 1cr5 s ALA 189 Ca 0.68 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 51.69 1cr5 s ALA 189 Cb -0.57 -1.30 -0.00 0.00 0.00 0.00 0.00 23.12 21.25 1cr5 s ALA 189 CO 0.47 0.63 0.21 0.25 0.00 0.00 0.00 175.76 177.32 1cr5 n THR 190 N 1.50 0.00 -3.59 0.00 -2.24 -1.26 -1.02 114.28 107.67 1cr5 n THR 190 Ca -0.15 -0.48 -0.33 0.00 -2.27 0.00 0.00 64.05 60.81 1cr5 n THR 190 Cb 0.53 1.01 -0.05 0.00 -2.10 0.00 0.00 70.33 69.71 1cr5 n THR 190 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1cr5 s GLY 191 N -0.75 2.30 0.47 3.38 0.00 -1.26 -4.60 107.32 106.85 1cr5 s GLY 191 Ca 0.01 -0.42 0.32 0.00 0.00 0.00 0.00 44.72 44.62 1cr5 s GLY 191 CO 0.03 -0.26 1.97 1.19 0.00 0.00 0.00 173.10 176.03 1cr5 h ILE 192 N 2.49 0.00 0.00 0.90 2.10 -1.93 -2.47 117.51 118.59 1cr5 h ILE 192 Ca -0.48 -0.07 -0.07 0.00 1.08 0.00 0.00 64.86 65.33 1cr5 h ILE 192 Cb 1.18 0.81 -0.01 0.00 -1.09 0.00 0.00 36.82 37.71 1cr5 h ILE 192 CO 0.69 0.00 -0.32 -0.33 -1.08 0.00 0.00 178.15 177.10 1cr5 h GLU 193 N 0.00 0.00 -5.90 2.19 3.07 -1.93 -3.41 114.58 108.60 1cr5 h GLU 193 Ca 0.00 0.00 -0.59 0.00 -0.50 0.00 0.00 59.36 58.27 1cr5 h GLU 193 Cb 0.08 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 27.91 1cr5 h GLU 193 CO 0.00 0.32 0.56 0.95 -1.40 0.00 0.00 179.01 179.44 1cr5 s THR 194 N -4.25 4.76 0.01 1.13 -4.23 -0.93 -5.02 115.64 107.11 1cr5 s THR 194 Ca -0.03 1.59 0.07 0.00 -1.18 0.00 0.00 61.69 62.14 1cr5 s THR 194 Cb 0.14 -4.19 -0.02 0.00 1.34 0.00 0.00 72.50 69.77 1cr5 s THR 194 CO 0.71 -0.18 -0.22 -0.54 -0.54 0.00 0.00 174.62 173.85 1cr5 s LYS 195 N 3.03 1.61 0.05 3.99 1.02 -1.26 -4.11 119.74 124.07 1cr5 s LYS 195 Ca 0.37 -0.87 -0.13 0.00 0.02 0.00 0.00 55.97 55.36 1cr5 s LYS 195 Cb -0.15 -1.64 0.02 0.00 -0.52 0.00 0.00 37.83 35.54 1cr5 s LYS 195 CO 0.09 0.44 0.29 0.20 -0.92 0.00 0.00 175.35 175.44 1cr5 s GLY 196 N -0.85 -0.09 -0.06 -3.33 0.00 -0.76 -4.81 107.32 97.41 1cr5 s GLY 196 Ca 0.08 -0.08 -0.23 0.00 0.00 0.00 0.00 44.72 44.49 1cr5 s GLY 196 CO 0.01 -0.29 0.69 -0.42 0.00 0.00 0.00 173.10 173.09 1cr5 s ILE 197 N -2.71 5.04 -0.07 0.90 1.01 0.20 -0.98 121.20 124.59 1cr5 s ILE 197 Ca -0.04 1.43 -0.30 0.00 0.00 0.00 0.00 60.65 61.74 1cr5 s ILE 197 Cb -0.00 -4.03 -0.03 0.00 0.01 0.00 0.00 42.46 38.41 1cr5 s ILE 197 CO -0.04 0.26 1.13 -0.22 0.00 0.00 0.00 174.94 176.07 1cr5 s LEU 198 N 0.73 4.27 0.45 2.97 2.96 0.13 -0.97 118.68 129.23 1cr5 s LEU 198 Ca 0.37 1.72 0.05 0.00 -0.22 0.00 0.00 54.13 56.04 1cr5 s LEU 198 Cb -0.18 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 42.90 1cr5 s LEU 198 CO 0.18 -0.53 0.01 0.42 -1.32 0.00 0.00 176.35 175.11 1cr5 s THR 199 N 2.10 1.65 -0.68 3.68 -4.23 -1.26 -0.04 115.64 116.86 1cr5 s THR 199 Ca 0.53 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 59.23 1cr5 s THR 199 Cb -0.22 -2.66 0.19 0.00 1.34 0.00 0.00 72.50 71.14 1cr5 s THR 199 CO 0.21 0.00 1.59 0.29 -0.54 0.00 0.00 174.62 176.17 1cr5 n LYS 200 N -1.08 0.11 -0.17 3.99 5.02 -1.26 -2.11 118.16 122.66 1cr5 n LYS 200 Ca -0.11 0.37 0.12 0.00 -2.02 0.00 0.00 58.31 56.67 1cr5 n LYS 200 Cb 0.67 -1.72 0.20 0.00 -0.02 0.00 0.00 35.03 34.16 1cr5 n LYS 200 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1cr5 n GLN 201 N -1.93 2.45 -2.39 1.97 3.00 -1.26 -4.94 117.38 114.27 1cr5 n GLN 201 Ca 0.02 -2.23 -0.42 0.00 -0.01 0.00 0.00 57.00 54.36 1cr5 n GLN 201 Cb 0.19 -1.50 -0.03 0.00 0.00 0.00 0.00 30.24 28.90 1cr5 n GLN 201 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1cr5 s THR 202 N -1.49 3.98 -0.10 5.09 2.01 -0.89 -4.90 115.64 119.33 1cr5 s THR 202 Ca 0.37 1.41 -0.30 0.00 0.31 0.00 0.00 61.69 63.48 1cr5 s THR 202 Cb 0.22 -3.90 -0.01 0.00 0.01 0.00 0.00 72.50 68.81 1cr5 s THR 202 CO 0.31 0.09 1.01 -1.58 -0.69 0.00 0.00 174.62 173.76 1cr5 s GLN 203 N 1.28 4.43 -0.18 4.92 0.74 0.25 -4.91 119.66 126.19 1cr5 s GLN 203 Ca 0.59 1.41 -0.04 0.00 0.05 0.00 0.00 55.36 57.37 1cr5 s GLN 203 Cb -0.30 -3.54 -0.02 0.00 1.10 0.00 0.00 33.01 30.25 1cr5 s GLN 203 CO 0.28 -0.31 -0.03 0.42 -0.55 0.00 0.00 175.29 175.11 1cr5 s ILE 204 N 1.96 3.80 -0.18 -2.34 1.01 -1.26 -0.13 121.20 124.06 1cr5 s ILE 204 Ca 0.49 -0.37 0.01 0.00 0.00 0.00 0.00 60.65 60.77 1cr5 s ILE 204 Cb -0.19 -2.70 0.02 0.00 0.01 0.00 0.00 42.46 39.60 1cr5 s ILE 204 CO 0.19 0.45 -0.19 0.20 0.00 0.00 0.00 174.94 175.60 1cr5 s ASN 205 N 0.81 3.26 -0.12 3.58 0.01 0.54 -4.93 114.94 118.09 1cr5 s ASN 205 Ca -0.01 -0.61 -0.05 0.00 -0.71 0.00 0.00 52.86 51.48 1cr5 s ASN 205 Cb -0.14 -1.50 -0.04 0.00 0.41 0.00 0.00 41.25 39.97 1cr5 s ASN 205 CO 0.02 0.01 0.09 -0.36 -1.51 0.00 0.00 177.10 175.35 1cr5 s PHE 206 N 1.23 3.41 0.00 2.20 0.40 -1.26 0.97 117.98 124.93 1cr5 s PHE 206 Ca 0.03 0.37 0.00 0.00 -0.60 0.00 0.00 56.93 56.73 1cr5 s PHE 206 Cb -0.14 -1.91 0.00 0.00 0.51 0.00 0.00 43.02 41.49 1cr5 s PHE 206 CO -0.10 0.58 0.23 1.19 0.70 0.00 0.00 175.22 177.83