#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mx0 n ALA 29 N 0.00 2.22 -0.00 3.52 0.00 -1.26 -4.66 120.51 120.33 3mx0 n ALA 29 Ca 0.00 -0.23 -0.00 0.00 0.00 0.00 0.00 53.44 53.21 3mx0 n ALA 29 Cb 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 19.45 19.23 3mx0 n ALA 29 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3mx0 n ASP 30 N -1.85 4.84 -4.09 0.00 8.00 -1.26 -4.95 116.55 117.24 3mx0 n ASP 30 Ca -0.03 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.14 3mx0 n ASP 30 Cb 0.28 0.53 -0.15 0.00 -0.02 0.00 0.00 41.12 41.77 3mx0 n ASP 30 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3mx0 s ARG 31 N -2.02 2.38 -0.33 -1.24 0.52 -1.26 0.14 118.95 117.14 3mx0 s ARG 31 Ca -0.00 -1.26 -0.14 0.00 -0.52 0.00 0.00 55.73 53.80 3mx0 s ARG 31 Cb 0.00 -2.89 -0.02 0.00 0.52 0.00 0.00 34.95 32.56 3mx0 s ARG 31 CO 0.03 -0.53 0.30 0.71 0.02 0.00 0.00 175.30 175.83 3mx0 s TYR 32 N 1.15 3.22 0.16 -0.53 1.51 -0.38 -4.34 117.35 118.14 3mx0 s TYR 32 Ca -0.07 -0.05 0.04 0.00 -1.01 0.00 0.00 57.07 55.98 3mx0 s TYR 32 Cb -0.19 -2.56 -0.04 0.00 -0.11 0.00 0.00 41.96 39.06 3mx0 s TYR 32 CO -0.05 -0.36 0.18 0.00 -1.11 0.00 0.00 175.55 174.20 3mx0 s ALA 33 N 1.88 3.69 -0.24 3.71 0.00 -1.26 -0.63 121.76 128.91 3mx0 s ALA 33 Ca 0.09 -1.15 -0.15 0.00 0.00 0.00 0.00 51.96 50.75 3mx0 s ALA 33 Cb -0.17 -1.49 0.07 0.00 0.00 0.00 0.00 23.12 21.53 3mx0 s ALA 33 CO 0.11 0.53 0.60 0.08 0.00 0.00 0.00 175.76 177.08 3mx0 s VAL 34 N -1.73 -0.01 -0.26 0.00 1.01 -0.83 -4.96 120.40 113.63 3mx0 s VAL 34 Ca 0.32 0.03 -0.09 0.00 0.00 0.00 0.00 61.98 62.24 3mx0 s VAL 34 Cb -0.10 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 3mx0 s VAL 34 CO 0.25 0.01 0.11 -0.31 0.00 0.00 0.00 175.10 175.16 3mx0 s TYR 35 N 1.34 3.14 -1.13 5.22 1.51 -1.26 -0.34 117.35 125.83 3mx0 s TYR 35 Ca -0.08 -0.19 -0.11 0.00 -1.01 0.00 0.00 57.07 55.68 3mx0 s TYR 35 Cb -0.06 -2.28 0.24 0.00 -0.11 0.00 0.00 41.96 39.75 3mx0 s TYR 35 CO -0.14 -0.26 1.21 -0.46 -1.11 0.00 0.00 175.55 174.78 3mx0 s TRP 36 N 1.61 4.00 -0.00 2.71 -0.11 0.86 -4.93 118.94 123.08 3mx0 s TRP 36 Ca 0.06 -2.48 0.01 0.00 1.22 0.00 0.00 56.10 54.91 3mx0 s TRP 36 Cb -0.15 -4.00 0.00 0.00 -1.50 0.00 0.00 33.47 27.82 3mx0 s TRP 36 CO 0.06 -1.10 -0.01 0.54 -4.62 0.00 0.00 176.95 171.82 3mx0 s ASN 37 N 1.86 0.22 0.38 5.86 2.20 -1.26 -3.20 114.94 121.00 3mx0 s ASN 37 Ca 0.34 -0.03 0.22 0.00 -0.94 0.00 0.00 52.86 52.45 3mx0 s ASN 37 Cb -0.08 -0.04 1.36 0.00 -2.00 0.00 0.00 41.25 40.49 3mx0 s ASN 37 CO -0.05 0.00 1.58 -1.28 -2.94 0.00 0.00 177.10 174.41 3mx0 h SER 38 N 6.27 0.31 0.00 3.54 0.87 -2.01 -2.37 113.55 120.16 3mx0 h SER 38 Ca -0.28 0.25 -0.16 0.00 -1.23 0.00 0.00 61.79 60.36 3mx0 h SER 38 Cb 1.19 0.25 -0.04 0.00 -0.44 0.00 0.00 62.40 63.37 3mx0 h SER 38 CO 0.50 -0.41 0.30 -1.20 -0.53 0.00 0.00 176.83 175.49 3mx0 n SER 39 N -5.19 3.67 -4.11 6.23 7.64 -1.26 -4.60 113.62 116.00 3mx0 n SER 39 Ca 0.38 -2.16 -0.29 0.00 1.01 0.00 0.00 58.87 57.81 3mx0 n SER 39 Cb 1.31 -0.95 -0.17 0.00 -1.01 0.00 0.00 64.21 63.40 3mx0 n SER 39 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 3mx0 s ASN 40 N 2.46 2.56 0.00 6.43 3.84 -0.89 -5.03 114.94 124.31 3mx0 s ASN 40 Ca 0.43 -0.46 0.24 0.00 0.21 0.00 0.00 52.86 53.28 3mx0 s ASN 40 Cb 0.20 -1.17 1.19 0.00 -0.55 0.00 0.00 41.25 40.92 3mx0 s ASN 40 CO -0.00 0.07 1.79 -0.81 -2.79 0.00 0.00 177.10 175.35 3mx0 n PRO 41 N 3.89 0.31 -0.07 0.43 -0.04 -1.26 -0.99 135.00 137.27 3mx0 n PRO 41 Ca -0.20 0.06 -0.15 0.00 -0.04 0.00 0.00 63.50 63.18 3mx0 n PRO 41 Cb 0.52 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.34 3mx0 n PRO 41 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3mx0 n ARG 42 N -1.30 0.68 -0.04 0.54 5.12 -1.26 -4.34 116.66 116.06 3mx0 n ARG 42 Ca 0.11 0.15 -0.15 0.00 -1.93 0.00 0.00 57.85 56.03 3mx0 n ARG 42 Cb 0.20 -1.61 -0.13 0.00 -1.16 0.00 0.00 32.46 29.76 3mx0 n ARG 42 CO 0.00 0.00 0.00 0.74 -1.93 0.00 0.00 177.63 176.44 3mx0 h PHE 43 N 0.01 0.14 0.00 -1.55 0.04 -1.92 -3.28 116.94 110.38 3mx0 h PHE 43 Ca -0.49 -0.09 0.00 0.00 2.80 0.00 0.00 57.97 60.19 3mx0 h PHE 43 Cb 2.05 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 40.19 3mx0 h PHE 43 CO 0.03 1.00 0.07 0.94 -0.60 0.00 0.00 178.31 179.75 3mx0 n GLN 44 N -4.53 0.10 0.00 1.51 -0.06 -0.16 -2.11 117.38 112.13 3mx0 n GLN 44 Ca -0.10 0.59 0.00 0.00 -2.00 0.00 0.00 57.00 55.48 3mx0 n GLN 44 Cb 0.52 -1.92 0.00 0.00 -4.06 0.00 0.00 30.24 24.79 3mx0 n GLN 44 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 3mx0 n ARG 45 N -2.07 0.00 0.00 3.69 1.74 -1.25 -5.04 116.66 113.74 3mx0 n ARG 45 Ca -0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 3mx0 n ARG 45 Cb 0.10 -0.40 0.00 0.00 -1.02 0.00 0.00 32.46 31.14 3mx0 n ARG 45 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3mx0 n GLY 46 N 1.27 0.12 0.59 -0.13 0.00 -0.90 -5.02 105.19 101.12 3mx0 n GLY 46 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 3mx0 n GLY 46 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3mx0 n ASP 47 N 0.00 3.28 -4.59 1.61 5.68 -1.26 -4.88 116.55 116.39 3mx0 n ASP 47 Ca 0.00 -2.94 -0.56 0.00 -0.50 0.00 0.00 54.79 50.79 3mx0 n ASP 47 Cb 0.00 -0.47 -0.07 0.00 -1.14 0.00 0.00 41.12 39.44 3mx0 n ASP 47 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3mx0 n TYR 48 N -0.74 1.37 -3.53 2.11 4.19 -1.24 -4.88 117.16 114.45 3mx0 n TYR 48 Ca 0.18 0.78 -0.17 0.00 3.31 0.00 0.00 57.90 62.00 3mx0 n TYR 48 Cb 0.76 -2.28 -0.06 0.00 0.49 0.00 0.00 39.34 38.26 3mx0 n TYR 48 CO 0.00 0.00 0.00 -3.38 0.91 0.00 0.00 176.86 174.39 3mx0 s HIS 49 N 0.98 -0.62 0.16 2.98 -3.43 -1.26 -2.25 115.29 111.85 3mx0 s HIS 49 Ca 0.90 1.01 -0.03 0.00 -0.80 0.00 0.00 55.06 56.14 3mx0 s HIS 49 Cb -1.10 0.40 -0.03 0.00 -1.43 0.00 0.00 32.58 30.42 3mx0 s HIS 49 CO 0.55 -0.61 0.13 0.96 -2.00 0.00 0.00 174.74 173.76 3mx0 s ILE 50 N -1.41 0.07 -0.31 -5.38 -4.36 -0.62 -4.93 121.20 104.27 3mx0 s ILE 50 Ca -0.10 -1.82 0.02 0.00 -0.26 0.00 0.00 60.65 58.49 3mx0 s ILE 50 Cb -0.00 -2.12 0.09 0.00 1.25 0.00 0.00 42.46 41.68 3mx0 s ILE 50 CO 0.08 -0.31 0.03 -1.81 0.24 0.00 0.00 174.94 173.17 3mx0 s ASP 51 N -3.06 4.40 0.48 4.36 1.11 -1.26 -1.21 116.67 121.49 3mx0 s ASP 51 Ca 0.26 -1.80 0.08 0.00 0.18 0.00 0.00 52.55 51.28 3mx0 s ASP 51 Cb 0.06 -1.35 0.02 0.00 1.07 0.00 0.00 42.92 42.73 3mx0 s ASP 51 CO 0.04 -0.35 0.53 0.68 1.18 0.00 0.00 175.17 177.26 3mx0 s VAL 52 N 1.18 2.43 0.36 -1.27 -7.23 -0.96 -4.93 120.40 109.98 3mx0 s VAL 52 Ca 0.06 -1.20 0.08 0.00 -1.81 0.00 0.00 61.98 59.11 3mx0 s VAL 52 Cb -0.19 -2.63 -0.05 0.00 0.56 0.00 0.00 36.38 34.07 3mx0 s VAL 52 CO -0.12 0.00 0.09 0.00 -0.31 0.00 0.00 175.10 174.77 3mx0 n ILE 54 N -1.09 1.59 -2.49 0.00 0.13 -1.26 -2.12 119.36 114.13 3mx0 n ILE 54 Ca -0.03 -0.40 -0.13 0.00 -1.10 0.00 0.00 62.75 61.09 3mx0 n ILE 54 Cb 0.63 -1.99 0.01 0.00 -0.84 0.00 0.00 39.64 37.44 3mx0 n ILE 54 CO 0.00 0.00 0.00 0.59 2.80 0.00 0.00 176.55 179.94 3mx0 n ASN 55 N 1.17 -4.22 -4.36 9.51 4.13 1.01 -4.95 115.26 117.54 3mx0 n ASN 55 Ca 0.04 -0.10 -0.22 0.00 1.68 0.00 0.00 54.58 55.99 3mx0 n ASN 55 Cb 0.38 -3.26 -0.11 0.00 -1.54 0.00 0.00 39.78 35.26 3mx0 n ASN 55 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 3mx0 s ASP 56 N -2.62 2.87 0.31 6.41 1.11 -0.90 -4.87 116.67 118.99 3mx0 s ASP 56 Ca 0.09 -0.91 0.07 0.00 0.18 0.00 0.00 52.55 51.98 3mx0 s ASP 56 Cb -0.04 -0.18 -0.03 0.00 1.07 0.00 0.00 42.92 43.74 3mx0 s ASP 56 CO 0.12 -0.03 0.28 -0.31 1.18 0.00 0.00 175.17 176.41 3mx0 s TYR 57 N -2.23 2.98 -0.32 4.23 1.51 0.37 -0.28 117.35 123.61 3mx0 s TYR 57 Ca 0.19 -0.24 -0.01 0.00 -1.01 0.00 0.00 57.07 56.00 3mx0 s TYR 57 Cb -0.05 -1.70 0.11 0.00 -0.11 0.00 0.00 41.96 40.21 3mx0 s TYR 57 CO 0.08 0.27 0.14 -1.17 -1.11 0.00 0.00 175.55 173.75 3mx0 s LEU 58 N -3.97 1.56 -0.02 -1.29 2.96 0.45 -1.24 118.68 117.13 3mx0 s LEU 58 Ca 0.39 -1.70 -0.23 0.00 -0.22 0.00 0.00 54.13 52.37 3mx0 s LEU 58 Cb -0.07 -0.65 -0.05 0.00 0.50 0.00 0.00 46.19 45.93 3mx0 s LEU 58 CO 0.26 -0.39 0.67 -1.81 -1.32 0.00 0.00 176.35 173.76 3mx0 s ASP 59 N 1.57 7.02 -0.36 3.68 1.01 0.20 -1.49 116.67 128.30 3mx0 s ASP 59 Ca 0.11 1.22 0.03 0.00 0.71 0.00 0.00 52.55 54.63 3mx0 s ASP 59 Cb -0.18 -2.40 0.11 0.00 1.01 0.00 0.00 42.92 41.45 3mx0 s ASP 59 CO -0.23 -0.01 0.09 -0.69 0.21 0.00 0.00 175.17 174.54 3mx0 s VAL 60 N 0.29 2.00 -0.28 -1.27 1.01 0.31 -1.97 120.40 120.49 3mx0 s VAL 60 Ca 0.35 -2.28 -0.19 0.00 0.00 0.00 0.00 61.98 59.85 3mx0 s VAL 60 Cb -0.18 -2.47 -0.02 0.00 0.00 0.00 0.00 36.38 33.71 3mx0 s VAL 60 CO 0.19 -0.65 0.58 -0.36 0.00 0.00 0.00 175.10 174.85 3mx0 s PHE 61 N 0.88 3.24 1.39 5.22 0.40 0.53 -1.94 117.98 127.70 3mx0 s PHE 61 Ca 0.12 0.61 -0.21 0.00 -0.60 0.00 0.00 56.93 56.84 3mx0 s PHE 61 Cb -0.20 -2.86 0.36 0.00 0.51 0.00 0.00 43.02 40.83 3mx0 s PHE 61 CO -0.10 -0.39 0.94 0.00 0.70 0.00 0.00 175.22 176.37 3mx0 s PRO 63 N -4.95 3.63 0.01 0.00 0.04 -1.19 -4.43 135.00 128.11 3mx0 s PRO 63 Ca 0.69 0.82 -0.17 0.00 0.04 0.00 0.00 61.00 62.37 3mx0 s PRO 63 Cb -0.15 -3.98 -0.06 0.00 0.04 0.00 0.00 34.50 30.35 3mx0 s PRO 63 CO 0.59 -1.49 0.48 -1.58 0.04 0.00 0.00 177.00 175.04 3mx0 s HIS 64 N 5.07 3.73 -0.09 0.56 2.46 -1.26 -4.67 115.29 121.09 3mx0 s HIS 64 Ca 0.57 1.09 -0.00 0.00 0.47 0.00 0.00 55.06 57.18 3mx0 s HIS 64 Cb -0.11 -2.41 0.02 0.00 -0.13 0.00 0.00 32.58 29.95 3mx0 s HIS 64 CO 0.32 0.55 -0.05 0.71 -2.47 0.00 0.00 174.74 173.79 3mx0 s TYR 65 N -0.82 1.15 0.50 3.88 1.51 -0.84 -5.08 117.35 117.64 3mx0 s TYR 65 Ca 0.26 -0.48 -0.23 0.00 -1.01 0.00 0.00 57.07 55.61 3mx0 s TYR 65 Cb -0.18 -1.02 -0.07 0.00 -0.11 0.00 0.00 41.96 40.59 3mx0 s TYR 65 CO 0.15 -0.39 1.30 0.39 -1.11 0.00 0.00 175.55 175.89 3mx0 n GLU 66 N 4.76 1.79 0.00 -0.62 1.02 -1.26 -4.57 120.64 121.76 3mx0 n GLU 66 Ca -0.14 0.65 0.00 0.00 -0.02 0.00 0.00 57.16 57.65 3mx0 n GLU 66 Cb 0.50 -2.48 0.00 0.00 -0.02 0.00 0.00 31.44 29.44 3mx0 n GLU 66 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3mx0 n ASP 67 N -0.45 0.00 -3.00 1.62 8.00 -1.26 -2.07 116.55 119.40 3mx0 n ASP 67 Ca 0.09 0.17 -0.35 0.00 0.71 0.00 0.00 54.79 55.41 3mx0 n ASP 67 Cb 0.43 -0.17 -0.02 0.00 -0.02 0.00 0.00 41.12 41.34 3mx0 n ASP 67 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3mx0 n SER 68 N -1.09 7.22 -3.67 -2.24 3.41 -1.26 -4.85 113.62 111.14 3mx0 n SER 68 Ca 0.00 -3.35 -0.20 0.00 -0.26 0.00 0.00 58.87 55.06 3mx0 n SER 68 Cb 0.09 -1.24 -0.18 0.00 -0.26 0.00 0.00 64.21 62.62 3mx0 n SER 68 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3mx0 s VAL 69 N -2.64 -0.12 0.00 -3.33 1.01 -0.88 -5.07 120.40 109.37 3mx0 s VAL 69 Ca 0.54 0.42 -0.00 0.00 0.00 0.00 0.00 61.98 62.94 3mx0 s VAL 69 Cb 0.31 -0.16 -0.01 0.00 0.00 0.00 0.00 36.38 36.52 3mx0 s VAL 69 CO -0.20 0.18 1.86 -0.81 0.00 0.00 0.00 175.10 176.13 3mx0 n PRO 70 N 5.29 0.94 0.00 2.72 -0.05 -1.26 -4.83 135.00 137.81 3mx0 n PRO 70 Ca -0.03 -0.03 0.00 0.00 -0.05 0.00 0.00 63.50 63.38 3mx0 n PRO 70 Cb 0.50 -1.08 0.00 0.00 -0.05 0.00 0.00 33.50 32.87 3mx0 n PRO 70 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 175.50 175.84 3mx0 n GLU 71 N 1.59 0.00 0.10 0.54 1.02 -1.26 -4.38 120.64 118.25 3mx0 n GLU 71 Ca 0.01 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.12 3mx0 n GLU 71 Cb 0.47 -0.11 0.02 0.00 -0.02 0.00 0.00 31.44 31.80 3mx0 n GLU 71 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 3mx0 h ASP 72 N 0.00 0.00 -0.44 1.62 3.32 -2.05 -3.18 116.42 115.69 3mx0 h ASP 72 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3mx0 h ASP 72 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3mx0 h ASP 72 CO 0.00 0.77 0.00 0.29 -1.72 0.00 0.00 179.24 178.58 3mx0 n LYS 73 N -3.46 2.27 -3.12 3.56 5.02 -1.26 -4.81 118.16 116.35 3mx0 n LYS 73 Ca -0.00 -1.95 -0.43 0.00 -2.02 0.00 0.00 58.31 53.91 3mx0 n LYS 73 Cb 0.79 -1.46 -0.07 0.00 -0.02 0.00 0.00 35.03 34.27 3mx0 n LYS 73 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3mx0 s THR 74 N -1.42 4.85 0.05 -0.18 2.01 -1.20 -4.98 115.64 114.77 3mx0 s THR 74 Ca 0.37 0.15 -0.31 0.00 0.31 0.00 0.00 61.69 62.22 3mx0 s THR 74 Cb 0.20 -4.17 -0.06 0.00 0.01 0.00 0.00 72.50 68.48 3mx0 s THR 74 CO 0.28 -0.54 1.29 -1.61 -0.69 0.00 0.00 174.62 173.35 3mx0 s GLU 75 N 2.76 4.36 -0.02 4.92 2.02 -1.26 -4.96 118.70 126.52 3mx0 s GLU 75 Ca 0.22 1.88 0.03 0.00 0.02 0.00 0.00 54.97 57.12 3mx0 s GLU 75 Cb -0.14 -3.39 -0.00 0.00 0.10 0.00 0.00 34.13 30.69 3mx0 s GLU 75 CO 0.18 -0.39 -0.10 1.03 0.02 0.00 0.00 175.26 175.99 3mx0 s ARG 76 N 1.48 0.92 0.07 1.61 0.52 -1.26 -4.66 118.95 117.64 3mx0 s ARG 76 Ca 0.61 -0.36 0.01 0.00 -0.52 0.00 0.00 55.73 55.47 3mx0 s ARG 76 Cb -0.31 -0.87 -0.00 0.00 0.52 0.00 0.00 34.95 34.28 3mx0 s ARG 76 CO 0.28 0.19 0.03 0.66 0.02 0.00 0.00 175.30 176.48 3mx0 n TYR 77 N 2.99 0.03 -3.40 -0.53 4.01 -1.24 0.31 117.16 119.32 3mx0 n TYR 77 Ca -0.15 -0.46 -0.18 0.00 -0.16 0.00 0.00 57.90 56.94 3mx0 n TYR 77 Cb 0.56 -0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.49 3mx0 n TYR 77 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3mx0 s VAL 78 N -1.80 -0.32 0.50 -0.72 1.01 -0.79 -3.08 120.40 115.19 3mx0 s VAL 78 Ca 0.04 -0.77 -0.23 0.00 0.00 0.00 0.00 61.98 61.01 3mx0 s VAL 78 Cb 0.00 -0.88 -0.06 0.00 0.00 0.00 0.00 36.38 35.43 3mx0 s VAL 78 CO 0.03 -0.56 1.39 -0.76 0.00 0.00 0.00 175.10 175.19 3mx0 s LEU 79 N 1.92 3.97 -0.01 3.92 1.43 -0.43 -3.74 118.68 125.75 3mx0 s LEU 79 Ca 0.13 2.83 0.01 0.00 -1.03 0.00 0.00 54.13 56.07 3mx0 s LEU 79 Cb -0.15 -4.12 0.00 0.00 0.03 0.00 0.00 46.19 41.96 3mx0 s LEU 79 CO -0.20 -1.38 -0.03 -0.31 0.23 0.00 0.00 176.35 174.66 3mx0 s TYR 80 N -1.26 0.31 -0.32 0.29 1.51 -0.39 -2.93 117.35 114.55 3mx0 s TYR 80 Ca 0.67 -0.05 -0.11 0.00 -1.01 0.00 0.00 57.07 56.56 3mx0 s TYR 80 Cb -0.42 -0.24 -0.01 0.00 -0.11 0.00 0.00 41.96 41.18 3mx0 s TYR 80 CO 0.51 -0.03 0.20 1.41 -1.11 0.00 0.00 175.55 176.53 3mx0 s MET 81 N 0.14 3.45 0.03 -0.62 1.75 -0.62 -1.33 119.30 122.09 3mx0 s MET 81 Ca -0.01 -0.66 0.00 0.00 -1.25 0.00 0.00 55.69 53.77 3mx0 s MET 81 Cb -0.04 -3.69 -0.00 0.00 2.84 0.00 0.00 34.83 33.94 3mx0 s MET 81 CO -0.00 -0.42 0.01 1.33 -0.65 0.00 0.00 175.02 175.29 3mx0 n VAL 82 N 5.05 0.00 -0.87 10.11 0.24 -0.26 0.31 118.33 132.91 3mx0 n VAL 82 Ca -0.13 -0.14 0.00 0.00 -2.04 0.00 0.00 64.34 62.03 3mx0 n VAL 82 Cb 0.50 0.04 0.00 0.00 -1.47 0.00 0.00 33.84 32.91 3mx0 n VAL 82 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 3mx0 n ASN 83 N -1.70 0.00 0.16 -1.34 0.23 -1.26 -3.58 115.26 107.77 3mx0 n ASN 83 Ca -0.01 0.00 -0.08 0.00 -0.53 0.00 0.00 54.58 53.97 3mx0 n ASN 83 Cb 0.04 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 37.70 3mx0 n ASN 83 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 3mx0 h PHE 84 N 0.00 -0.46 -0.31 -2.53 3.57 -1.95 -1.95 116.94 113.30 3mx0 h PHE 84 Ca 0.00 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.56 3mx0 h PHE 84 Cb 0.00 0.15 -0.08 0.00 2.79 0.00 0.00 35.95 38.81 3mx0 h PHE 84 CO 0.00 -0.28 -0.23 0.22 -2.23 0.00 0.00 178.31 175.79 3mx0 h ASP 85 N -1.13 -0.77 -0.79 0.41 -0.00 -1.99 0.27 116.42 112.43 3mx0 h ASP 85 Ca -0.05 0.15 0.11 0.00 -0.00 0.00 0.00 57.03 57.23 3mx0 h ASP 85 Cb 0.39 0.38 -0.06 0.00 -0.00 0.00 0.00 39.33 40.04 3mx0 h ASP 85 CO 0.08 -0.26 0.52 1.23 -0.00 0.00 0.00 179.24 180.81 3mx0 h GLY 86 N -0.20 1.02 1.41 -0.78 0.00 -1.83 0.14 103.07 102.84 3mx0 h GLY 86 Ca 0.16 -0.29 -0.14 0.00 0.00 0.00 0.00 47.33 47.07 3mx0 h GLY 86 CO -0.43 0.15 -0.40 -1.82 0.00 0.00 0.00 176.54 174.04 3mx0 h TYR 87 N 0.69 0.77 0.33 5.60 3.20 -0.33 -2.92 116.97 124.30 3mx0 h TYR 87 Ca 0.37 -0.22 -0.02 0.00 3.14 0.00 0.00 58.73 62.00 3mx0 h TYR 87 Cb 0.51 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.62 3mx0 h TYR 87 CO -0.00 0.94 -0.16 0.77 -1.64 0.00 0.00 178.16 178.07 3mx0 h SER 88 N 0.53 -0.38 -0.41 -2.11 0.02 0.22 -3.31 113.55 108.12 3mx0 h SER 88 Ca 0.05 0.01 -0.19 0.00 -0.84 0.00 0.00 61.79 60.81 3mx0 h SER 88 Cb 0.92 0.10 -0.12 0.00 0.14 0.00 0.00 62.40 63.44 3mx0 h SER 88 CO 0.08 -0.05 0.25 0.00 -1.14 0.00 0.00 176.83 175.97 3mx0 n ALA 89 N -2.56 3.74 -3.77 3.77 0.00 -0.61 -4.87 120.51 116.21 3mx0 n ALA 89 Ca -0.06 -1.19 -0.24 0.00 0.00 0.00 0.00 53.44 51.96 3mx0 n ALA 89 Cb 0.18 -1.18 -0.03 0.00 0.00 0.00 0.00 19.45 18.42 3mx0 n ALA 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mx0 s ASP 91 N -3.97 4.02 0.00 0.00 2.15 -1.10 -4.97 116.67 112.79 3mx0 s ASP 91 Ca 0.14 -1.18 0.23 0.00 0.43 0.00 0.00 52.55 52.17 3mx0 s ASP 91 Cb -0.08 -1.45 0.35 0.00 -0.30 0.00 0.00 42.92 41.44 3mx0 s ASP 91 CO 0.60 -0.16 1.35 0.00 -0.17 0.00 0.00 175.17 176.79 3mx0 n HIS 92 N 4.52 0.36 -0.08 -5.34 1.44 -1.26 -4.49 115.22 110.37 3mx0 n HIS 92 Ca -0.15 -0.19 -0.12 0.00 -2.01 0.00 0.00 57.72 55.25 3mx0 n HIS 92 Cb 0.44 -0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.47 3mx0 n HIS 92 CO 0.00 0.00 0.00 1.15 -2.81 0.00 0.00 176.34 174.68 3mx0 h THR 93 N 4.45 0.97 0.00 0.61 2.02 -1.95 -3.43 112.91 115.58 3mx0 h THR 93 Ca 0.00 -1.86 0.00 0.00 0.77 0.00 0.00 66.41 65.32 3mx0 h THR 93 Cb 0.98 1.96 0.00 0.00 -1.74 0.00 0.00 68.15 69.35 3mx0 h THR 93 CO 0.00 0.33 0.00 -1.20 0.37 0.00 0.00 175.52 175.02 3mx0 n SER 94 N -4.60 0.00 -4.29 4.18 7.64 -1.26 -4.87 113.62 110.43 3mx0 n SER 94 Ca -0.14 0.04 -0.16 0.00 1.01 0.00 0.00 58.87 59.62 3mx0 n SER 94 Cb 0.41 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.51 3mx0 n SER 94 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 3mx0 s LYS 95 N -0.08 1.17 0.00 1.43 2.20 -1.26 -5.12 119.74 118.07 3mx0 s LYS 95 Ca 0.00 -1.49 0.00 0.00 -0.36 0.00 0.00 55.97 54.12 3mx0 s LYS 95 Cb 0.00 -0.85 0.00 0.00 -1.51 0.00 0.00 37.83 35.47 3mx0 s LYS 95 CO 0.00 0.13 0.00 0.41 -0.36 0.00 0.00 175.35 175.53 3mx0 n GLY 96 N -0.21 3.92 3.87 5.54 0.00 -1.26 -4.78 105.19 112.27 3mx0 n GLY 96 Ca -0.10 -1.50 -0.30 0.00 0.00 0.00 0.00 46.02 44.12 3mx0 n GLY 96 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3mx0 s PHE 97 N -1.76 3.57 -0.37 1.61 0.40 0.15 -4.92 117.98 116.65 3mx0 s PHE 97 Ca 0.00 1.18 -0.07 0.00 -0.60 0.00 0.00 56.93 57.43 3mx0 s PHE 97 Cb 0.00 -2.60 0.06 0.00 0.51 0.00 0.00 43.02 40.99 3mx0 s PHE 97 CO 0.00 -0.47 0.16 0.21 0.70 0.00 0.00 175.22 175.82 3mx0 s LYS 98 N -4.75 2.58 -0.22 0.44 2.36 -1.26 -1.60 119.74 117.30 3mx0 s LYS 98 Ca 0.53 -1.31 0.04 0.00 -2.55 0.00 0.00 55.97 52.69 3mx0 s LYS 98 Cb -0.11 -3.58 -0.16 0.00 -1.05 0.00 0.00 37.83 32.93 3mx0 s LYS 98 CO 0.46 -0.78 -0.15 0.54 1.55 0.00 0.00 175.35 176.96 3mx0 n ARG 99 N 4.84 0.66 -4.21 4.03 5.12 -1.15 -4.95 116.66 121.01 3mx0 n ARG 99 Ca -0.11 0.11 -0.12 0.00 -1.93 0.00 0.00 57.85 55.80 3mx0 n ARG 99 Cb 0.44 -1.46 -0.10 0.00 -1.16 0.00 0.00 32.46 30.18 3mx0 n ARG 99 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 3mx0 s TRP 100 N -2.45 1.08 -0.25 -1.55 0.51 -1.23 -5.04 118.94 110.02 3mx0 s TRP 100 Ca -0.27 -1.11 -0.03 0.00 -2.12 0.00 0.00 56.10 52.57 3mx0 s TRP 100 Cb 0.07 -0.62 0.14 0.00 -0.81 0.00 0.00 33.47 32.25 3mx0 s TRP 100 CO 0.56 -0.34 0.39 -2.00 -0.51 0.00 0.00 176.95 175.05 3mx0 s GLU 101 N -3.97 0.36 -0.77 4.98 2.12 -1.26 -1.31 118.70 118.84 3mx0 s GLU 101 Ca 0.24 0.55 -0.05 0.00 0.36 0.00 0.00 54.97 56.08 3mx0 s GLU 101 Cb 0.07 -0.43 0.05 0.00 0.26 0.00 0.00 34.13 34.08 3mx0 s GLU 101 CO 0.03 -0.65 2.71 0.00 -0.54 0.00 0.00 175.26 176.82 3mx0 n ASN 103 N 1.42 0.00 -4.14 0.00 0.23 -1.26 -3.66 115.26 107.84 3mx0 n ASN 103 Ca 0.54 -0.17 -0.38 0.00 -0.53 0.00 0.00 54.58 54.04 3mx0 n ASN 103 Cb 0.46 -0.27 -0.08 0.00 -2.08 0.00 0.00 39.78 37.81 3mx0 n ASN 103 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 3mx0 s ARG 104 N -2.55 2.84 0.00 -3.83 1.81 -1.26 -4.85 118.95 111.11 3mx0 s ARG 104 Ca 0.29 -2.60 0.30 0.00 -1.72 0.00 0.00 55.73 52.00 3mx0 s ARG 104 Cb 0.20 -3.89 1.62 0.00 -0.45 0.00 0.00 34.95 32.43 3mx0 s ARG 104 CO 0.45 -1.20 2.09 -0.35 -0.68 0.00 0.00 175.30 175.60 3mx0 n PRO 105 N 3.46 0.60 -3.13 3.54 -0.04 -1.26 -3.91 135.00 134.25 3mx0 n PRO 105 Ca 0.10 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.34 3mx0 n PRO 105 Cb 0.39 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.31 3mx0 n PRO 105 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3mx0 n HIS 106 N -1.20 1.68 -3.28 0.54 8.25 -1.26 -1.98 115.22 117.98 3mx0 n HIS 106 Ca 0.17 -3.88 -0.39 0.00 -0.26 0.00 0.00 57.72 53.37 3mx0 n HIS 106 Cb 0.20 -0.45 -0.07 0.00 1.12 0.00 0.00 29.99 30.79 3mx0 n HIS 106 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3mx0 s SER 107 N -2.63 6.59 0.30 0.41 1.04 -1.25 -5.01 113.70 113.14 3mx0 s SER 107 Ca 0.42 0.70 0.04 0.00 0.48 0.00 0.00 55.95 57.60 3mx0 s SER 107 Cb 0.29 -2.29 0.78 0.00 0.10 0.00 0.00 66.02 64.90 3mx0 s SER 107 CO -0.10 -0.12 1.66 1.55 0.98 0.00 0.00 173.24 177.21 3mx0 h PRO 108 N 7.23 0.26 -2.12 4.02 0.13 -1.98 -3.31 132.00 136.23 3mx0 h PRO 108 Ca -0.36 -0.02 -0.66 0.00 -0.87 0.00 0.00 66.00 64.09 3mx0 h PRO 108 Cb 1.16 -0.06 -0.37 0.00 0.13 0.00 0.00 31.00 31.87 3mx0 h PRO 108 CO 0.74 0.17 -0.08 0.09 -0.23 0.00 0.00 178.00 178.69 3mx0 n ASN 109 N -5.16 5.53 0.00 1.44 3.02 -1.26 -5.03 115.26 113.79 3mx0 n ASN 109 Ca 0.23 -3.71 0.00 0.00 -0.03 0.00 0.00 54.58 51.07 3mx0 n ASN 109 Cb 0.73 -0.74 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 3mx0 n ASN 109 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3mx0 n GLY 110 N -0.27 -1.48 3.79 7.41 0.00 -1.25 -4.96 105.19 108.44 3mx0 n GLY 110 Ca 0.38 -1.53 -0.36 0.00 0.00 0.00 0.00 46.02 44.51 3mx0 n GLY 110 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3mx0 s PRO 111 N 0.00 4.51 -0.19 1.61 0.04 -1.26 -4.54 135.00 135.17 3mx0 s PRO 111 Ca 0.00 1.31 -0.30 0.00 0.04 0.00 0.00 61.00 62.05 3mx0 s PRO 111 Cb 0.00 -2.70 -0.07 0.00 0.04 0.00 0.00 34.50 31.77 3mx0 s PRO 111 CO 0.00 0.21 2.17 -0.11 0.04 0.00 0.00 177.00 179.32 3mx0 n LEU 112 N 0.36 3.26 -4.82 -3.56 0.00 -1.26 -4.87 117.00 106.11 3mx0 n LEU 112 Ca 0.03 0.36 -0.38 0.00 0.00 0.00 0.00 56.01 56.02 3mx0 n LEU 112 Cb 0.51 -1.51 -0.06 0.00 0.00 0.00 0.00 43.42 42.36 3mx0 n LEU 112 CO 0.43 -0.54 0.15 -0.75 0.00 0.00 0.00 177.39 176.68 3mx0 s LYS 113 N 5.97 4.03 -0.18 1.96 2.20 -1.26 -2.21 119.74 130.25 3mx0 s LYS 113 Ca 1.00 0.50 -0.03 0.00 -0.36 0.00 0.00 55.97 57.08 3mx0 s LYS 113 Cb -0.43 -3.25 0.06 0.00 -1.51 0.00 0.00 37.83 32.70 3mx0 s LYS 113 CO 0.39 0.63 0.03 -0.06 -0.36 0.00 0.00 175.35 175.98 3mx0 s PHE 114 N -0.93 1.03 0.20 4.03 2.99 -0.82 -5.00 117.98 119.48 3mx0 s PHE 114 Ca 0.25 -0.81 0.05 0.00 0.00 0.00 0.00 56.93 56.42 3mx0 s PHE 114 Cb -0.17 -1.02 -0.03 0.00 0.00 0.00 0.00 43.02 41.79 3mx0 s PHE 114 CO 0.14 -0.59 0.24 -1.12 -0.00 0.00 0.00 175.22 173.90 3mx0 s SER 115 N 1.86 5.91 -0.07 1.36 0.01 -1.26 -0.53 113.70 120.97 3mx0 s SER 115 Ca -0.00 -0.03 -0.06 0.00 1.31 0.00 0.00 55.95 57.16 3mx0 s SER 115 Cb -0.17 -1.65 0.02 0.00 0.21 0.00 0.00 66.02 64.44 3mx0 s SER 115 CO -0.08 0.01 0.19 -0.70 0.41 0.00 0.00 173.24 173.07 3mx0 s GLU 116 N -3.50 0.20 -0.12 12.44 2.56 -0.56 -4.97 118.70 124.75 3mx0 s GLU 116 Ca 0.33 0.30 -0.00 0.00 0.00 0.00 0.00 54.97 55.60 3mx0 s GLU 116 Cb -0.10 0.04 -0.02 0.00 2.00 0.00 0.00 34.13 36.06 3mx0 s GLU 116 CO 0.26 -0.06 -0.11 0.21 -0.56 0.00 0.00 175.26 175.00 3mx0 s LYS 117 N 0.38 3.33 -1.17 4.30 2.20 -1.26 0.17 119.74 127.68 3mx0 s LYS 117 Ca -0.02 -0.65 -0.07 0.00 -0.36 0.00 0.00 55.97 54.87 3mx0 s LYS 117 Cb -0.04 -2.66 0.24 0.00 -1.51 0.00 0.00 37.83 33.87 3mx0 s LYS 117 CO -0.02 0.28 1.59 1.19 -0.36 0.00 0.00 175.35 178.04 3mx0 n PHE 118 N 3.34 2.97 -4.25 4.03 3.72 0.61 -4.94 117.46 122.94 3mx0 n PHE 118 Ca -0.18 -2.83 -0.31 0.00 -0.05 0.00 0.00 57.45 54.08 3mx0 n PHE 118 Cb 0.53 -1.62 -0.09 0.00 -0.94 0.00 0.00 39.48 37.36 3mx0 n PHE 118 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 176.76 177.85 3mx0 s GLN 119 N -1.18 2.61 0.21 -1.08 -2.07 -1.26 0.33 119.66 117.22 3mx0 s GLN 119 Ca 0.35 -0.74 -0.08 0.00 -1.82 0.00 0.00 55.36 53.07 3mx0 s GLN 119 Cb 0.05 -2.57 0.15 0.00 -1.09 0.00 0.00 33.01 29.55 3mx0 s GLN 119 CO 0.05 0.58 1.78 -0.07 -1.32 0.00 0.00 175.29 176.31 3mx0 h LEU 120 N 3.99 1.07 -7.82 2.60 4.07 -1.93 -2.89 115.31 114.39 3mx0 h LEU 120 Ca -0.48 -0.17 -0.36 0.00 0.08 0.00 0.00 57.88 56.95 3mx0 h LEU 120 Cb 1.17 -0.28 -0.31 0.00 1.08 0.00 0.00 40.66 42.32 3mx0 h LEU 120 CO 0.57 0.95 -0.76 0.12 -1.08 0.00 0.00 178.44 178.24 3mx0 s PHE 121 N -5.57 0.56 -0.13 1.13 5.99 -1.26 -2.87 117.98 115.82 3mx0 s PHE 121 Ca -0.12 -0.11 0.02 0.00 0.00 0.00 0.00 56.93 56.71 3mx0 s PHE 121 Cb 0.15 -0.44 0.02 0.00 0.00 0.00 0.00 43.02 42.75 3mx0 s PHE 121 CO 0.83 -0.08 -0.17 0.99 -0.00 0.00 0.00 175.22 176.80 3mx0 s THR 122 N 0.34 1.67 -0.09 0.12 2.01 -1.26 -5.00 115.64 113.43 3mx0 s THR 122 Ca -0.04 -0.73 0.00 0.00 0.31 0.00 0.00 61.69 61.23 3mx0 s THR 122 Cb -0.08 -1.52 0.11 0.00 0.01 0.00 0.00 72.50 71.02 3mx0 s THR 122 CO -0.00 0.47 1.41 -0.81 -0.69 0.00 0.00 174.62 175.00 3mx0 n PRO 123 N 4.31 1.25 -4.10 4.92 -0.04 -1.26 -4.78 135.00 135.30 3mx0 n PRO 123 Ca -0.19 -0.56 -0.16 0.00 -0.04 0.00 0.00 63.50 62.55 3mx0 n PRO 123 Cb 0.51 -1.22 -0.15 0.00 -0.04 0.00 0.00 33.50 32.60 3mx0 n PRO 123 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3mx0 s PHE 124 N -0.63 0.40 0.11 0.54 0.08 -1.26 -5.01 117.98 112.21 3mx0 s PHE 124 Ca 0.11 -0.07 -0.22 0.00 0.12 0.00 0.00 56.93 56.87 3mx0 s PHE 124 Cb 0.09 -0.29 -0.08 0.00 -0.57 0.00 0.00 43.02 42.17 3mx0 s PHE 124 CO 0.01 -0.03 1.71 0.66 -0.10 0.00 0.00 175.22 177.48 3mx0 h SER 125 N 6.22 -0.16 0.00 1.36 4.64 -2.05 -2.95 113.55 120.60 3mx0 h SER 125 Ca -0.29 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 3mx0 h SER 125 Cb 1.19 0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3mx0 h SER 125 CO 0.50 -0.07 0.00 0.18 -0.87 0.00 0.00 176.83 176.57 3mx0 n LEU 126 N -5.18 0.00 -3.86 5.97 4.77 -1.26 -4.77 117.00 112.68 3mx0 n LEU 126 Ca -0.05 0.49 -0.14 0.00 -0.03 0.00 0.00 56.01 56.28 3mx0 n LEU 126 Cb 0.10 -0.11 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 3mx0 n LEU 126 CO 0.28 -0.11 -0.69 0.61 -1.33 0.00 0.00 177.39 176.16 3mx0 n GLY 127 N -0.91 -1.77 3.04 -0.72 0.00 -1.12 -5.04 105.19 98.68 3mx0 n GLY 127 Ca 0.00 -0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 3mx0 n GLY 127 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3mx0 s PHE 128 N -2.01 0.62 0.27 1.61 5.36 -1.26 -4.94 117.98 117.63 3mx0 s PHE 128 Ca 0.15 -0.43 0.02 0.00 -0.96 0.00 0.00 56.93 55.71 3mx0 s PHE 128 Cb 0.03 -0.38 -0.03 0.00 -0.34 0.00 0.00 43.02 42.30 3mx0 s PHE 128 CO 0.24 -0.07 0.43 -1.21 -1.46 0.00 0.00 175.22 173.15 3mx0 s GLU 129 N -1.33 3.47 -0.05 10.12 2.02 -1.26 -4.78 118.70 126.89 3mx0 s GLU 129 Ca -0.08 -0.52 -0.01 0.00 0.02 0.00 0.00 54.97 54.38 3mx0 s GLU 129 Cb -0.09 -2.80 0.03 0.00 0.10 0.00 0.00 34.13 31.37 3mx0 s GLU 129 CO 0.00 0.32 0.02 -0.06 0.02 0.00 0.00 175.26 175.56 3mx0 s PHE 130 N -2.08 0.40 -0.01 1.61 0.40 -1.09 -5.02 117.98 112.19 3mx0 s PHE 130 Ca 0.37 0.00 -0.16 0.00 -0.60 0.00 0.00 56.93 56.54 3mx0 s PHE 130 Cb -0.10 -0.61 -0.06 0.00 0.51 0.00 0.00 43.02 42.76 3mx0 s PHE 130 CO 0.32 -0.24 0.44 1.03 0.70 0.00 0.00 175.22 177.47 3mx0 s ARG 131 N 1.80 4.05 -0.81 0.44 0.52 -1.26 -4.12 118.95 119.57 3mx0 s ARG 131 Ca 0.01 0.47 -0.25 0.00 -0.52 0.00 0.00 55.73 55.44 3mx0 s ARG 131 Cb -0.12 -3.27 0.05 0.00 0.52 0.00 0.00 34.95 32.13 3mx0 s ARG 131 CO -0.04 0.58 1.26 -1.25 0.02 0.00 0.00 175.30 175.87 3mx0 s PRO 132 N -0.74 3.31 0.00 3.54 0.04 -1.26 -2.85 135.00 137.04 3mx0 s PRO 132 Ca 0.25 -0.68 0.00 0.00 0.04 0.00 0.00 61.00 60.61 3mx0 s PRO 132 Cb -0.17 -4.54 0.00 0.00 0.04 0.00 0.00 34.50 29.83 3mx0 s PRO 132 CO 0.14 -2.08 0.00 0.41 0.04 0.00 0.00 177.00 175.51 3mx0 n GLY 133 N 5.76 1.59 3.80 0.56 0.00 -0.19 -4.49 105.19 112.23 3mx0 n GLY 133 Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 3mx0 n GLY 133 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mx0 s ARG 134 N -0.42 2.25 0.15 1.61 3.00 -1.13 -4.94 118.95 119.47 3mx0 s ARG 134 Ca 0.00 -1.97 0.10 0.00 0.00 0.00 0.00 55.73 53.86 3mx0 s ARG 134 Cb 0.00 -1.97 -0.04 0.00 0.00 0.00 0.00 34.95 32.94 3mx0 s ARG 134 CO 0.00 -0.32 -0.23 -1.83 0.00 0.00 0.00 175.30 172.92 3mx0 s GLU 135 N -4.04 1.35 0.26 3.54 -1.05 -1.26 -2.41 118.70 115.09 3mx0 s GLU 135 Ca 0.34 -1.39 0.08 0.00 -0.15 0.00 0.00 54.97 53.85 3mx0 s GLU 135 Cb 0.01 -1.63 -0.05 0.00 -0.44 0.00 0.00 34.13 32.01 3mx0 s GLU 135 CO 0.19 0.36 -0.11 0.71 0.95 0.00 0.00 175.26 177.37 3mx0 s TYR 136 N -1.54 1.94 -0.01 4.83 1.51 0.18 -4.94 117.35 119.33 3mx0 s TYR 136 Ca 0.15 -0.60 0.00 0.00 -1.01 0.00 0.00 57.07 55.61 3mx0 s TYR 136 Cb -0.08 -1.01 0.01 0.00 -0.11 0.00 0.00 41.96 40.78 3mx0 s TYR 136 CO 0.07 0.38 0.01 -0.06 -1.11 0.00 0.00 175.55 174.84 3mx0 s PHE 137 N -2.91 0.07 0.05 2.71 0.40 -1.23 0.14 117.98 117.20 3mx0 s PHE 137 Ca 0.27 0.05 0.06 0.00 -0.60 0.00 0.00 56.93 56.71 3mx0 s PHE 137 Cb 0.01 -0.16 -0.02 0.00 0.51 0.00 0.00 43.02 43.36 3mx0 s PHE 137 CO 0.11 -0.05 -0.17 0.71 0.70 0.00 0.00 175.22 176.52 3mx0 s TYR 138 N 0.54 1.50 0.02 0.36 1.51 -0.66 -1.10 117.35 119.52 3mx0 s TYR 138 Ca -0.05 -0.37 -0.12 0.00 -1.01 0.00 0.00 57.07 55.53 3mx0 s TYR 138 Cb -0.07 -0.89 0.01 0.00 -0.11 0.00 0.00 41.96 40.91 3mx0 s TYR 138 CO -0.01 0.07 0.25 0.96 -1.11 0.00 0.00 175.55 175.70 3mx0 s ILE 139 N -0.86 0.08 0.08 2.71 -4.36 -0.44 -1.61 121.20 116.81 3mx0 s ILE 139 Ca 0.04 -0.69 0.07 0.00 -0.26 0.00 0.00 60.65 59.82 3mx0 s ILE 139 Cb -0.08 -0.76 -0.03 0.00 1.25 0.00 0.00 42.46 42.84 3mx0 s ILE 139 CO 0.02 -0.38 -0.19 -0.94 0.24 0.00 0.00 174.94 173.69 3mx0 s SER 140 N -1.75 2.30 -0.06 4.36 1.04 -1.18 -1.26 113.70 117.14 3mx0 s SER 140 Ca -0.09 -0.63 -0.01 0.00 0.48 0.00 0.00 55.95 55.70 3mx0 s SER 140 Cb -0.03 -0.13 0.03 0.00 0.10 0.00 0.00 66.02 65.98 3mx0 s SER 140 CO -0.00 0.05 -0.01 -0.94 0.98 0.00 0.00 173.24 173.31 3mx0 s SER 141 N -1.70 1.41 0.31 7.02 1.04 -1.24 -4.22 113.70 116.32 3mx0 s SER 141 Ca 0.05 -0.10 -0.29 0.00 0.48 0.00 0.00 55.95 56.08 3mx0 s SER 141 Cb -0.10 -0.45 -0.12 0.00 0.10 0.00 0.00 66.02 65.45 3mx0 s SER 141 CO 0.03 -0.15 1.37 0.00 0.98 0.00 0.00 173.24 175.47 3mx0 n ALA 142 N 4.82 1.47 -0.05 5.32 0.00 -1.26 -1.88 120.51 128.93 3mx0 n ALA 142 Ca -0.13 0.37 -0.05 0.00 0.00 0.00 0.00 53.44 53.64 3mx0 n ALA 142 Cb 0.50 -2.29 0.17 0.00 0.00 0.00 0.00 19.45 17.83 3mx0 n ALA 142 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3mx0 h ILE 143 N 2.79 1.25 0.00 0.00 2.04 -0.34 -1.46 117.51 121.78 3mx0 h ILE 143 Ca -0.46 -1.16 0.00 0.00 1.00 0.00 0.00 64.86 64.24 3mx0 h ILE 143 Cb 1.27 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 38.48 3mx0 h ILE 143 CO 0.68 0.39 0.00 -2.65 0.00 0.00 0.00 178.15 176.56 3mx0 n PRO 144 N -4.16 0.19 -2.12 2.37 -0.02 -1.26 -5.00 135.00 125.00 3mx0 n PRO 144 Ca 0.01 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 3mx0 n PRO 144 Cb 0.36 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 3mx0 n PRO 144 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3mx0 n ASP 145 N -2.18 -8.40 -3.38 2.55 10.43 -0.55 -5.06 116.55 109.96 3mx0 n ASP 145 Ca 0.03 1.56 -0.18 0.00 2.57 0.00 0.00 54.79 58.77 3mx0 n ASP 145 Cb 0.25 -4.56 -0.08 0.00 1.84 0.00 0.00 41.12 38.56 3mx0 n ASP 145 CO 0.00 0.00 0.00 0.20 -1.07 0.00 0.00 177.20 176.33 3mx0 s ASN 146 N -0.50 1.39 0.00 -2.24 0.01 -1.26 -5.02 114.94 107.31 3mx0 s ASN 146 Ca 0.00 -1.40 0.00 0.00 -0.71 0.00 0.00 52.86 50.75 3mx0 s ASN 146 Cb 0.00 0.50 0.00 0.00 0.41 0.00 0.00 41.25 42.16 3mx0 s ASN 146 CO 0.00 -0.29 0.00 0.61 -1.51 0.00 0.00 177.10 175.91 3mx0 n GLY 147 N 4.50 -0.06 3.48 0.66 0.00 -1.26 -4.94 105.19 107.57 3mx0 n GLY 147 Ca 0.08 -0.30 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 3mx0 n GLY 147 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3mx0 n ARG 148 N -0.83 1.85 0.17 1.61 0.63 -1.26 -4.10 116.66 114.72 3mx0 n ARG 148 Ca 0.00 -2.49 0.00 0.00 -0.92 0.00 0.00 57.85 54.44 3mx0 n ARG 148 Cb 0.41 -3.55 0.00 0.00 0.45 0.00 0.00 32.46 29.76 3mx0 n ARG 148 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 3mx0 n ARG 149 N 8.03 0.00 -0.16 -0.14 1.85 -1.26 -5.14 116.66 119.84 3mx0 n ARG 149 Ca 0.46 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.31 3mx0 n ARG 149 Cb 0.45 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.86 3mx0 n ARG 149 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 3mx0 n SER 150 N -3.20 0.00 0.00 2.89 3.41 -1.26 -4.91 113.62 110.55 3mx0 n SER 150 Ca 0.00 -0.63 0.00 0.00 -0.26 0.00 0.00 58.87 57.98 3mx0 n SER 150 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3mx0 n SER 150 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mx0 s LEU 152 N 0.00 3.81 -0.29 0.00 1.43 -1.26 -5.00 118.68 117.37 3mx0 s LEU 152 Ca 0.00 0.61 -0.17 0.00 -1.03 0.00 0.00 54.13 53.54 3mx0 s LEU 152 Cb 0.00 -3.50 0.14 0.00 0.03 0.00 0.00 46.19 42.86 3mx0 s LEU 152 CO 0.00 -0.46 0.97 -1.59 0.23 0.00 0.00 176.35 175.49 3mx0 s LYS 153 N -4.52 0.40 -0.04 1.70 -2.85 -1.26 -3.09 119.74 110.08 3mx0 s LYS 153 Ca 0.44 0.68 0.01 0.00 -1.00 0.00 0.00 55.97 56.09 3mx0 s LYS 153 Cb -0.10 0.09 -0.03 0.00 -2.06 0.00 0.00 37.83 35.72 3mx0 s LYS 153 CO 0.40 -0.08 -0.03 -1.17 0.10 0.00 0.00 175.35 174.56 3mx0 s LEU 154 N 1.29 3.37 0.02 2.77 2.96 -0.63 -4.28 118.68 124.18 3mx0 s LEU 154 Ca -0.08 0.01 0.03 0.00 -0.22 0.00 0.00 54.13 53.86 3mx0 s LEU 154 Cb -0.04 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.79 3mx0 s LEU 154 CO -0.15 0.33 -0.01 -0.75 -1.32 0.00 0.00 176.35 174.45 3mx0 s LYS 155 N -1.12 2.68 -0.12 1.98 2.20 -0.95 -1.65 119.74 122.76 3mx0 s LYS 155 Ca 0.15 -0.69 -0.02 0.00 -0.36 0.00 0.00 55.97 55.05 3mx0 s LYS 155 Cb -0.11 -2.60 0.04 0.00 -1.51 0.00 0.00 37.83 33.64 3mx0 s LYS 155 CO 0.05 0.60 0.02 0.08 -0.36 0.00 0.00 175.35 175.74 3mx0 s VAL 156 N -1.12 0.36 -0.08 4.02 1.01 0.12 -1.59 120.40 123.12 3mx0 s VAL 156 Ca 0.20 -0.10 -0.09 0.00 0.00 0.00 0.00 61.98 62.00 3mx0 s VAL 156 Cb -0.11 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.55 3mx0 s VAL 156 CO 0.11 0.07 0.21 0.12 0.00 0.00 0.00 175.10 175.61 3mx0 s PHE 157 N 1.96 3.63 -0.41 5.22 5.36 -0.35 0.52 117.98 133.90 3mx0 s PHE 157 Ca 0.03 0.63 -0.13 0.00 -0.96 0.00 0.00 56.93 56.50 3mx0 s PHE 157 Cb -0.14 -2.02 0.04 0.00 -0.34 0.00 0.00 43.02 40.57 3mx0 s PHE 157 CO -0.06 0.71 0.28 0.08 -1.46 0.00 0.00 175.22 174.77 3mx0 s VAL 158 N -1.06 4.88 0.37 3.12 1.01 -1.01 -2.27 120.40 125.44 3mx0 s VAL 158 Ca 0.18 -0.92 -0.26 0.00 0.00 0.00 0.00 61.98 60.98 3mx0 s VAL 158 Cb -0.13 -3.80 -0.12 0.00 0.00 0.00 0.00 36.38 32.33 3mx0 s VAL 158 CO 0.07 -0.37 0.98 0.54 0.00 0.00 0.00 175.10 176.31 3mx0 n ARG 159 N 5.08 1.31 -1.66 2.72 1.74 -0.72 -1.02 116.66 124.11 3mx0 n ARG 159 Ca -0.11 0.46 -0.29 0.00 -0.77 0.00 0.00 57.85 57.14 3mx0 n ARG 159 Cb 0.45 -1.93 0.13 0.00 -1.02 0.00 0.00 32.46 30.10 3mx0 n ARG 159 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3mx0 s PRO 160 N -1.81 1.19 -0.84 5.56 0.04 -1.26 -4.25 135.00 133.64 3mx0 s PRO 160 Ca 0.61 0.15 -0.21 0.00 0.04 0.00 0.00 61.00 61.59 3mx0 s PRO 160 Cb -0.61 -1.86 -0.20 0.00 0.04 0.00 0.00 34.50 31.87 3mx0 s PRO 160 CO 0.58 -2.13 2.35 2.41 0.04 0.00 0.00 177.00 180.25 3mx0 n THR 161 N -3.69 -0.00 0.00 1.26 -1.04 -1.26 -1.16 114.28 108.38 3mx0 n THR 161 Ca 0.08 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.59 3mx0 n THR 161 Cb 0.60 -1.42 0.00 0.00 -1.82 0.00 0.00 70.33 67.69 3mx0 n THR 161 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 3mx0 n ASN 162 N 14.61 0.00 -1.19 8.00 6.94 -1.26 -4.97 115.26 137.38 3mx0 n ASN 162 Ca 0.53 0.00 0.09 0.00 -0.02 0.00 0.00 54.58 55.18 3mx0 n ASN 162 Cb 0.34 0.00 0.28 0.00 -2.36 0.00 0.00 39.78 38.04 3mx0 n ASN 162 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 3mx0 n SER 163 N 0.00 3.93 -0.26 0.53 7.64 -0.31 -4.03 113.62 121.12 3mx0 n SER 163 Ca 0.00 -2.23 0.13 0.00 1.01 0.00 0.00 58.87 57.78 3mx0 n SER 163 Cb 0.00 -0.45 0.33 0.00 -1.01 0.00 0.00 64.21 63.08 3mx0 n SER 163 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03