#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d1m s THR 41 N 0.00 4.21 0.63 -5.08 -4.23 -1.26 -5.09 115.64 104.83 3d1m s THR 41 Ca 0.00 -0.23 -0.18 0.00 -1.18 0.00 0.00 61.69 60.09 3d1m s THR 41 Cb 0.00 -2.89 -0.02 0.00 1.34 0.00 0.00 72.50 70.94 3d1m s THR 41 CO 0.00 0.46 1.29 -2.16 -0.54 0.00 0.00 174.62 173.67 3d1m s PRO 42 N 0.61 2.64 0.61 3.99 0.04 -1.26 -4.74 135.00 136.89 3d1m s PRO 42 Ca 0.00 2.06 -0.16 0.00 0.04 0.00 0.00 61.00 62.94 3d1m s PRO 42 Cb -0.14 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 3d1m s PRO 42 CO 0.02 -1.53 1.09 -0.51 0.04 0.00 0.00 177.00 176.10 3d1m s LEU 43 N -4.27 3.51 0.40 -3.56 1.43 -0.60 -4.90 118.68 110.69 3d1m s LEU 43 Ca 0.81 1.94 -0.06 0.00 -1.03 0.00 0.00 54.13 55.79 3d1m s LEU 43 Cb -0.37 -4.55 -0.05 0.00 0.03 0.00 0.00 46.19 41.25 3d1m s LEU 43 CO 0.40 -1.33 0.70 0.00 0.23 0.00 0.00 176.35 176.35 3d1m s ALA 44 N -2.30 3.47 0.15 4.21 0.00 -1.26 -4.44 121.76 121.59 3d1m s ALA 44 Ca 0.66 -0.48 -0.34 0.00 0.00 0.00 0.00 51.96 51.80 3d1m s ALA 44 Cb -0.19 -2.50 -0.14 0.00 0.00 0.00 0.00 23.12 20.29 3d1m s ALA 44 CO 0.36 -0.08 1.52 0.98 0.00 0.00 0.00 175.76 178.54 3d1m n TYR 45 N -1.64 2.12 -0.92 0.00 9.36 -1.26 -0.87 117.16 123.95 3d1m n TYR 45 Ca -0.00 0.35 0.00 0.00 3.32 0.00 0.00 57.90 61.57 3d1m n TYR 45 Cb 0.55 -2.50 0.00 0.00 -0.63 0.00 0.00 39.34 36.76 3d1m n TYR 45 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3d1m n LYS 46 N 3.15 -0.26 -2.65 2.98 4.76 0.29 -5.02 118.16 121.41 3d1m n LYS 46 Ca 0.17 0.06 -0.36 0.00 -2.87 0.00 0.00 58.31 55.32 3d1m n LYS 46 Cb 0.27 -3.30 -0.05 0.00 -1.84 0.00 0.00 35.03 30.11 3d1m n LYS 46 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 3d1m s GLN 47 N -0.42 4.26 0.05 1.97 0.74 -0.05 -4.79 119.66 121.42 3d1m s GLN 47 Ca 0.00 1.38 0.04 0.00 0.05 0.00 0.00 55.36 56.84 3d1m s GLN 47 Cb 0.00 -2.51 -0.02 0.00 1.10 0.00 0.00 33.01 31.58 3d1m s GLN 47 CO 0.00 -0.04 -0.12 -0.59 -0.55 0.00 0.00 175.29 173.99 3d1m s PHE 48 N -1.77 1.07 -0.04 1.67 -0.71 -1.26 -1.12 117.98 115.83 3d1m s PHE 48 Ca 0.57 -0.41 0.00 0.00 -1.04 0.00 0.00 56.93 56.05 3d1m s PHE 48 Cb -0.18 -0.62 0.03 0.00 -1.21 0.00 0.00 43.02 41.03 3d1m s PHE 48 CO 0.23 0.02 -0.01 0.42 -1.34 0.00 0.00 175.22 174.54 3d1m s ILE 49 N -1.10 0.28 0.91 -4.49 1.01 -0.05 -3.51 121.20 114.26 3d1m s ILE 49 Ca -0.02 0.04 -0.11 0.00 0.00 0.00 0.00 60.65 60.56 3d1m s ILE 49 Cb -0.09 -0.37 0.14 0.00 0.01 0.00 0.00 42.46 42.15 3d1m s ILE 49 CO 0.01 0.17 1.10 -2.16 0.00 0.00 0.00 174.94 174.07 3d1m s PRO 50 N 1.07 1.12 -0.37 2.79 0.04 -1.26 -0.91 135.00 137.48 3d1m s PRO 50 Ca -0.09 1.18 -0.07 0.00 0.04 0.00 0.00 61.00 62.06 3d1m s PRO 50 Cb -0.14 -1.77 -0.21 0.00 0.04 0.00 0.00 34.50 32.43 3d1m s PRO 50 CO -0.01 -2.44 3.27 -1.71 0.04 0.00 0.00 177.00 176.15 3d1m n ASN 51 N -4.06 5.69 -3.90 6.66 5.15 -1.23 -4.80 115.26 118.77 3d1m n ASN 51 Ca 0.09 -2.44 -0.14 0.00 -0.60 0.00 0.00 54.58 51.49 3d1m n ASN 51 Cb 0.53 -1.36 -0.09 0.00 -0.53 0.00 0.00 39.78 38.33 3d1m n ASN 51 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3d1m s VAL 52 N 1.44 0.00 0.40 3.44 -7.23 -1.26 -5.11 120.40 112.08 3d1m s VAL 52 Ca 0.63 -1.94 -0.27 0.00 -1.81 0.00 0.00 61.98 58.59 3d1m s VAL 52 Cb 0.27 -2.49 -0.09 0.00 0.56 0.00 0.00 36.38 34.62 3d1m s VAL 52 CO -0.01 0.00 1.37 0.00 -0.31 0.00 0.00 175.10 176.15 3d1m s ALA 53 N -3.89 3.37 0.23 1.32 0.00 -1.26 -4.89 121.76 116.64 3d1m s ALA 53 Ca 0.38 1.36 -0.06 0.00 0.00 0.00 0.00 51.96 53.64 3d1m s ALA 53 Cb 0.05 -3.53 0.41 0.00 0.00 0.00 0.00 23.12 20.05 3d1m s ALA 53 CO 0.17 -0.92 1.70 1.49 0.00 0.00 0.00 175.76 178.20 3d1m h GLU 54 N 2.80 0.31 -0.53 0.00 4.81 -1.97 -2.14 114.58 117.86 3d1m h GLU 54 Ca -0.50 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 3d1m h GLU 54 Cb 1.25 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.56 3d1m h GLU 54 CO 0.63 0.20 0.00 1.63 -0.73 0.00 0.00 179.01 180.75 3d1m n LYS 55 N -5.10 2.35 -2.92 1.92 4.76 -1.26 -0.33 118.16 117.58 3d1m n LYS 55 Ca 0.13 -1.59 -0.25 0.00 -2.87 0.00 0.00 58.31 53.74 3d1m n LYS 55 Cb 0.41 -1.51 0.01 0.00 -1.84 0.00 0.00 35.03 32.09 3d1m n LYS 55 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3d1m s THR 56 N -1.61 4.40 0.38 -0.18 -4.23 -0.81 -2.63 115.64 110.97 3d1m s THR 56 Ca 0.29 -0.27 0.10 0.00 -1.18 0.00 0.00 61.69 60.63 3d1m s THR 56 Cb 0.17 -3.65 0.33 0.00 1.34 0.00 0.00 72.50 70.69 3d1m s THR 56 CO 0.16 -0.52 1.91 -0.07 -0.54 0.00 0.00 174.62 175.56 3d1m h LEU 57 N 0.36 0.57 -0.40 4.79 3.38 -1.90 -0.54 115.31 121.57 3d1m h LEU 57 Ca -0.47 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3d1m h LEU 57 Cb 1.23 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.90 3d1m h LEU 57 CO 0.60 0.31 0.00 0.61 0.09 0.00 0.00 178.44 180.05 3d1m n GLY 58 N -1.47 -1.41 0.00 0.83 0.00 -1.26 -4.59 105.19 97.29 3d1m n GLY 58 Ca 0.15 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3d1m n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d1m n ALA 59 N -1.75 0.00 0.78 4.61 0.00 -0.30 -4.88 120.51 118.97 3d1m n ALA 59 Ca 0.04 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.59 3d1m n ALA 59 Cb 0.29 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.86 3d1m n ALA 59 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3d1m n SER 60 N 0.00 0.63 -0.13 0.00 7.64 0.55 -4.72 113.62 117.59 3d1m n SER 60 Ca 0.00 -0.26 0.02 0.00 1.01 0.00 0.00 58.87 59.64 3d1m n SER 60 Cb 0.00 0.51 -0.00 0.00 -1.01 0.00 0.00 64.21 63.71 3d1m n SER 60 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3d1m n GLY 61 N 1.43 -1.59 3.74 0.23 0.00 -0.66 -3.81 105.19 104.54 3d1m n GLY 61 Ca 0.04 -1.49 -0.35 0.00 0.00 0.00 0.00 46.02 44.22 3d1m n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3d1m s ARG 62 N -1.50 2.63 0.28 1.61 1.81 -1.08 -4.33 118.95 118.36 3d1m s ARG 62 Ca 0.00 1.78 -0.30 0.00 -1.72 0.00 0.00 55.73 55.49 3d1m s ARG 62 Cb 0.00 -1.89 -0.11 0.00 -0.45 0.00 0.00 34.95 32.50 3d1m s ARG 62 CO 0.00 -1.46 1.53 -0.47 -0.68 0.00 0.00 175.30 174.22 3d1m s TYR 63 N -1.79 2.85 -1.11 -0.53 5.04 -1.26 -4.88 117.35 115.67 3d1m s TYR 63 Ca 0.76 0.89 0.11 0.00 -2.44 0.00 0.00 57.07 56.38 3d1m s TYR 63 Cb -0.29 -3.97 0.23 0.00 0.35 0.00 0.00 41.96 38.28 3d1m s TYR 63 CO 0.39 -3.22 1.11 0.39 -1.34 0.00 0.00 175.55 172.89 3d1m n GLU 64 N 2.20 2.04 0.00 4.97 1.02 -1.26 -5.08 120.64 124.52 3d1m n GLU 64 Ca 0.07 -1.74 0.00 0.00 -0.02 0.00 0.00 57.16 55.47 3d1m n GLU 64 Cb 0.39 -1.25 0.00 0.00 -0.02 0.00 0.00 31.44 30.55 3d1m n GLU 64 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3d1m n GLY 65 N 0.57 3.29 3.77 0.62 0.00 -1.26 -5.05 105.19 107.13 3d1m n GLY 65 Ca 0.10 -1.70 -0.41 0.00 0.00 0.00 0.00 46.02 44.01 3d1m n GLY 65 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3d1m s LYS 66 N -4.22 4.20 -0.25 1.61 2.20 -1.26 -4.61 119.74 117.41 3d1m s LYS 66 Ca 0.00 2.43 -0.08 0.00 -0.36 0.00 0.00 55.97 57.97 3d1m s LYS 66 Cb 0.00 -3.01 -0.03 0.00 -1.51 0.00 0.00 37.83 33.28 3d1m s LYS 66 CO 0.00 -0.41 0.08 0.42 -0.36 0.00 0.00 175.35 175.09 3d1m s ILE 67 N -1.04 4.42 0.27 5.43 1.01 0.08 -4.98 121.20 126.39 3d1m s ILE 67 Ca 0.52 -0.14 0.06 0.00 0.00 0.00 0.00 60.65 61.09 3d1m s ILE 67 Cb -0.44 -3.08 -0.03 0.00 0.01 0.00 0.00 42.46 38.93 3d1m s ILE 67 CO 0.58 0.32 0.30 0.42 0.00 0.00 0.00 174.94 176.56 3d1m s THR 68 N 1.63 4.53 0.45 2.92 -4.23 -1.26 -4.82 115.64 114.86 3d1m s THR 68 Ca 0.06 -1.21 0.17 0.00 -1.18 0.00 0.00 61.69 59.53 3d1m s THR 68 Cb -0.15 -3.52 0.36 0.00 1.34 0.00 0.00 72.50 70.52 3d1m s THR 68 CO 0.04 -0.29 1.95 -0.09 -0.54 0.00 0.00 174.62 175.69 3d1m h ARG 69 N 1.28 0.32 -0.02 3.99 2.43 -1.98 -1.36 114.38 119.04 3d1m h ARG 69 Ca -0.49 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 3d1m h ARG 69 Cb 1.24 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 3d1m h ARG 69 CO 0.59 0.21 -0.20 0.09 -1.51 0.00 0.00 179.97 179.16 3d1m n ASN 70 N -4.46 1.84 -4.62 -3.80 4.13 -1.26 -4.89 115.26 102.21 3d1m n ASN 70 Ca 0.13 -1.45 -0.30 0.00 1.68 0.00 0.00 54.58 54.64 3d1m n ASN 70 Cb 0.51 0.16 0.19 0.00 -1.54 0.00 0.00 39.78 39.10 3d1m n ASN 70 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 3d1m s SER 71 N -2.26 2.42 0.09 6.41 1.04 -0.51 -4.96 113.70 115.93 3d1m s SER 71 Ca 0.27 1.70 0.05 0.00 0.48 0.00 0.00 55.95 58.45 3d1m s SER 71 Cb 0.20 -2.33 -0.23 0.00 0.10 0.00 0.00 66.02 63.75 3d1m s SER 71 CO 0.44 -3.33 1.17 -0.33 0.98 0.00 0.00 173.24 172.17 3d1m h GLU 72 N -2.03 0.06 0.00 4.02 4.39 -1.93 -3.25 114.58 115.85 3d1m h GLU 72 Ca -0.52 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.07 3d1m h GLU 72 Cb 1.30 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.99 3d1m h GLU 72 CO 0.49 1.00 0.00 0.00 -1.16 0.00 0.00 179.01 179.34 3d1m h ARG 73 N 0.02 0.00 -0.66 2.33 3.08 -1.92 -2.08 114.38 115.14 3d1m h ARG 73 Ca -0.07 0.00 0.02 0.00 0.07 0.00 0.00 59.98 59.99 3d1m h ARG 73 Cb 1.84 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.86 3d1m h ARG 73 CO 0.14 0.00 0.43 0.35 -1.07 0.00 0.00 179.97 179.82 3d1m h PHE 74 N 0.00 0.80 0.00 3.04 3.57 -1.76 -2.01 116.94 120.58 3d1m h PHE 74 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3d1m h PHE 74 Cb 0.20 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.67 3d1m h PHE 74 CO 0.00 0.49 0.00 1.63 -2.23 0.00 0.00 178.31 178.20 3d1m n LYS 75 N -4.45 0.18 0.00 1.11 5.02 -0.78 -1.93 118.16 117.31 3d1m n LYS 75 Ca 0.07 0.49 0.14 0.00 -2.02 0.00 0.00 58.31 57.00 3d1m n LYS 75 Cb 0.07 -1.91 0.63 0.00 -0.02 0.00 0.00 35.03 33.80 3d1m n LYS 75 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 3d1m n GLU 76 N -2.26 0.03 -3.62 1.97 0.28 -0.76 -4.72 120.64 111.57 3d1m n GLU 76 Ca 0.01 0.00 -0.36 0.00 -0.16 0.00 0.00 57.16 56.65 3d1m n GLU 76 Cb 0.17 -1.50 -0.07 0.00 1.43 0.00 0.00 31.44 31.47 3d1m n GLU 76 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 3d1m s LEU 77 N -2.97 4.24 0.16 -1.84 1.43 -0.81 -4.76 118.68 114.14 3d1m s LEU 77 Ca 0.15 0.42 0.07 0.00 -1.03 0.00 0.00 54.13 53.75 3d1m s LEU 77 Cb 0.19 -2.27 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 3d1m s LEU 77 CO 0.52 0.15 -0.15 0.42 0.23 0.00 0.00 176.35 177.51 3d1m s THR 78 N 0.32 1.62 0.30 5.49 -4.23 -1.25 -4.90 115.64 112.99 3d1m s THR 78 Ca 0.14 -1.95 -0.28 0.00 -1.18 0.00 0.00 61.69 58.41 3d1m s THR 78 Cb -0.12 -1.81 -0.09 0.00 1.34 0.00 0.00 72.50 71.81 3d1m s THR 78 CO 0.02 -0.45 1.06 -2.84 -0.54 0.00 0.00 174.62 171.88 3d1m s PRO 79 N -3.06 4.55 -0.43 3.99 0.02 -1.26 -3.74 135.00 135.08 3d1m s PRO 79 Ca 0.16 1.69 -0.21 0.00 0.02 0.00 0.00 61.00 62.66 3d1m s PRO 79 Cb -0.04 -3.04 0.02 0.00 0.02 0.00 0.00 34.50 31.47 3d1m s PRO 79 CO 0.05 0.17 0.65 1.21 -0.33 0.00 0.00 177.00 178.75 3d1m s ASN 80 N -1.09 6.34 -0.23 2.53 3.04 0.25 -4.93 114.94 120.85 3d1m s ASN 80 Ca 0.47 -0.26 0.14 0.00 0.04 0.00 0.00 52.86 53.26 3d1m s ASN 80 Cb -0.29 -2.33 0.68 0.00 -1.54 0.00 0.00 41.25 37.78 3d1m s ASN 80 CO 0.36 -0.77 1.62 -1.22 -3.04 0.00 0.00 177.10 174.06 3d1m n TYR 81 N 6.27 1.66 -1.53 0.43 4.01 -1.26 -4.81 117.16 121.93 3d1m n TYR 81 Ca -0.01 -0.91 -0.51 0.00 -0.16 0.00 0.00 57.90 56.31 3d1m n TYR 81 Cb 0.48 -0.47 -0.07 0.00 -0.31 0.00 0.00 39.34 38.98 3d1m n TYR 81 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3d1m n ASN 82 N -0.04 2.42 0.00 7.72 2.85 -1.26 -4.86 115.26 122.10 3d1m n ASN 82 Ca 0.28 0.61 0.08 0.00 -0.11 0.00 0.00 54.58 55.43 3d1m n ASN 82 Cb 1.11 -1.27 0.34 0.00 1.24 0.00 0.00 39.78 41.20 3d1m n ASN 82 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3d1m n PRO 83 N 7.50 0.02 -0.11 1.20 -0.04 -1.26 -1.73 135.00 140.58 3d1m n PRO 83 Ca 0.35 0.22 0.04 0.00 -0.04 0.00 0.00 63.50 64.07 3d1m n PRO 83 Cb 0.23 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.30 3d1m n PRO 83 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3d1m n ASP 84 N -1.49 1.16 -4.16 3.54 8.00 -1.26 -4.80 116.55 117.55 3d1m n ASP 84 Ca 0.04 -1.99 -0.26 0.00 0.71 0.00 0.00 54.79 53.29 3d1m n ASP 84 Cb 0.18 -0.14 -0.16 0.00 -0.02 0.00 0.00 41.12 40.98 3d1m n ASP 84 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3d1m s ILE 85 N -1.71 1.46 -0.20 0.53 1.01 -0.71 -4.03 121.20 117.54 3d1m s ILE 85 Ca 0.15 -0.76 -0.15 0.00 0.00 0.00 0.00 60.65 59.89 3d1m s ILE 85 Cb 0.08 -1.23 -0.04 0.00 0.01 0.00 0.00 42.46 41.27 3d1m s ILE 85 CO 0.10 0.42 0.35 -0.63 0.00 0.00 0.00 174.94 175.18 3d1m s ILE 86 N -0.20 5.23 -0.23 2.92 1.01 -0.17 -4.91 121.20 124.85 3d1m s ILE 86 Ca 0.02 0.61 -0.06 0.00 0.00 0.00 0.00 60.65 61.22 3d1m s ILE 86 Cb -0.09 -3.69 -0.02 0.00 0.01 0.00 0.00 42.46 38.67 3d1m s ILE 86 CO 0.01 0.28 0.03 -0.36 0.00 0.00 0.00 174.94 174.90 3d1m s PHE 87 N 1.18 3.06 0.13 3.97 0.08 -1.26 0.35 117.98 125.49 3d1m s PHE 87 Ca 0.17 -0.50 -0.20 0.00 0.12 0.00 0.00 56.93 56.53 3d1m s PHE 87 Cb -0.14 -2.17 -0.01 0.00 -0.57 0.00 0.00 43.02 40.12 3d1m s PHE 87 CO 0.07 -0.34 1.70 -0.22 -0.10 0.00 0.00 175.22 176.33 3d1m h LYS 88 N 7.98 0.00 -6.43 0.44 3.64 -1.11 -3.46 116.57 117.63 3d1m h LYS 88 Ca -0.38 -0.00 -0.50 0.00 -1.27 0.00 0.00 60.65 58.50 3d1m h LYS 88 Cb 1.17 -0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.91 3d1m h LYS 88 CO 0.59 0.00 -0.79 -3.47 -2.27 0.00 0.00 179.45 173.52 3d1m n ASP 89 N -5.21 -4.03 0.30 4.20 2.03 -1.26 -4.83 116.55 107.75 3d1m n ASP 89 Ca -0.02 -0.86 0.18 0.00 0.52 0.00 0.00 54.79 54.61 3d1m n ASP 89 Cb 0.13 -3.53 1.00 0.00 -0.72 0.00 0.00 41.12 38.01 3d1m n ASP 89 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 3d1m h GLU 90 N -1.90 0.00 0.00 -0.67 9.09 -1.89 -0.45 114.58 118.76 3d1m h GLU 90 Ca -0.59 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 58.79 3d1m h GLU 90 Cb 1.38 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.47 3d1m h GLU 90 CO 0.70 0.00 -0.17 0.93 0.05 0.00 0.00 179.01 180.52 3d1m h GLU 91 N 0.00 0.00 -5.37 1.06 3.07 -1.97 -3.47 114.58 107.90 3d1m h GLU 91 Ca 0.01 0.00 -0.42 0.00 -0.50 0.00 0.00 59.36 58.46 3d1m h GLU 91 Cb 0.12 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.06 3d1m h GLU 91 CO -0.00 0.17 -0.65 0.09 -1.40 0.00 0.00 179.01 177.23 3d1m n ASN 92 N -3.33 -5.40 0.00 1.42 3.02 -0.18 -4.86 115.26 105.92 3d1m n ASN 92 Ca 0.00 -0.47 0.00 0.00 -0.03 0.00 0.00 54.58 54.08 3d1m n ASN 92 Cb 0.40 -4.34 0.00 0.00 -0.61 0.00 0.00 39.78 35.23 3d1m n ASN 92 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3d1m n THR 93 N -4.54 0.00 -0.99 3.41 -2.24 -1.26 -5.01 114.28 103.65 3d1m n THR 93 Ca -0.03 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 3d1m n THR 93 Cb 0.57 0.91 0.00 0.00 -2.10 0.00 0.00 70.33 69.71 3d1m n THR 93 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3d1m n GLY 94 N 0.99 0.47 0.35 3.38 0.00 -1.26 -4.93 105.19 104.19 3d1m n GLY 94 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 3d1m n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d1m h ALA 95 N 0.00 1.84 0.00 4.61 0.00 -1.95 -2.16 119.26 121.60 3d1m h ALA 95 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3d1m h ALA 95 Cb 0.15 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3d1m h ALA 95 CO 0.00 0.04 -0.01 -0.44 0.00 0.00 0.00 179.25 178.85 3d1m h ASP 96 N 0.59 0.00 1.75 0.00 3.32 -1.92 -1.41 116.42 118.74 3d1m h ASP 96 Ca 0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.34 3d1m h ASP 96 Cb 0.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.91 3d1m h ASP 96 CO -0.09 0.01 -0.20 0.03 -1.72 0.00 0.00 179.24 177.27 3d1m h ARG 97 N 0.00 0.00 -6.25 3.56 3.08 -1.70 -3.33 114.38 109.74 3d1m h ARG 97 Ca -0.00 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.50 3d1m h ARG 97 Cb 0.18 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.19 3d1m h ARG 97 CO 0.00 0.00 0.28 -0.51 -1.07 0.00 0.00 179.97 178.67 3d1m s LEU 98 N -5.89 4.34 0.12 3.04 1.43 -0.53 -0.58 118.68 120.61 3d1m s LEU 98 Ca 0.06 1.47 -0.25 0.00 -1.03 0.00 0.00 54.13 54.37 3d1m s LEU 98 Cb 0.07 -3.38 0.07 0.00 0.03 0.00 0.00 46.19 42.97 3d1m s LEU 98 CO 0.69 -0.22 0.88 0.00 0.23 0.00 0.00 176.35 177.92 3d1m s MET 99 N 1.02 1.16 0.91 1.70 0.23 -1.24 -1.39 119.30 121.68 3d1m s MET 99 Ca 0.46 -0.57 -0.12 0.00 -1.03 0.00 0.00 55.69 54.43 3d1m s MET 99 Cb -0.20 0.44 0.14 0.00 -1.53 0.00 0.00 34.83 33.68 3d1m s MET 99 CO 0.23 -0.52 1.10 0.95 -2.03 0.00 0.00 175.02 174.75 3d1m s THR 100 N -3.35 2.52 0.20 3.16 -4.23 -0.01 -3.93 115.64 110.00 3d1m s THR 100 Ca 0.09 0.17 -0.11 0.00 -1.18 0.00 0.00 61.69 60.66 3d1m s THR 100 Cb -0.02 -2.72 0.14 0.00 1.34 0.00 0.00 72.50 71.24 3d1m s THR 100 CO -0.02 -0.22 1.86 -0.61 -0.54 0.00 0.00 174.62 175.09 3d1m h GLN 101 N -1.56 0.87 -0.70 3.99 5.75 -1.91 -0.74 115.11 120.81 3d1m h GLN 101 Ca -0.50 -0.05 -0.03 0.00 -0.15 0.00 0.00 58.65 57.91 3d1m h GLN 101 Cb 1.30 -0.20 -0.03 0.00 1.07 0.00 0.00 27.48 29.62 3d1m h GLN 101 CO 0.57 0.58 0.33 -0.09 -2.65 0.00 0.00 178.83 177.56 3d1m h ARG 102 N 0.90 1.01 -0.35 1.69 2.43 -1.92 -0.83 114.38 117.31 3d1m h ARG 102 Ca 0.26 -0.16 0.06 0.00 -0.81 0.00 0.00 59.98 59.34 3d1m h ARG 102 Cb -0.05 -0.18 -0.05 0.00 -0.42 0.00 0.00 29.97 29.27 3d1m h ARG 102 CO -0.08 0.81 0.04 0.00 -1.51 0.00 0.00 179.97 179.23 3d1m h LYS 104 N 0.15 0.83 -0.31 0.00 1.57 -0.45 0.61 116.57 118.97 3d1m h LYS 104 Ca 0.17 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 3d1m h LYS 104 Cb 0.21 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 3d1m h LYS 104 CO -0.25 0.55 0.15 -0.44 -0.57 0.00 0.00 179.45 178.88 3d1m h ASP 105 N 0.85 0.40 -0.21 0.86 3.32 -0.64 0.31 116.42 121.31 3d1m h ASP 105 Ca 0.31 -0.12 -0.19 0.00 0.02 0.00 0.00 57.03 57.04 3d1m h ASP 105 Cb 0.10 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3d1m h ASP 105 CO -0.14 0.41 -0.61 0.11 -1.72 0.00 0.00 179.24 177.29 3d1m h LYS 106 N 0.36 0.82 -0.47 3.56 1.79 -1.02 -2.41 116.57 119.20 3d1m h LYS 106 Ca 0.10 -0.56 -0.02 0.00 -2.18 0.00 0.00 60.65 58.00 3d1m h LYS 106 Cb 0.12 0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.83 3d1m h LYS 106 CO -0.01 1.18 0.22 1.25 -1.08 0.00 0.00 179.45 181.01 3d1m h LEU 107 N 0.61 0.63 -0.73 2.94 5.85 -0.56 -0.90 115.31 123.16 3d1m h LEU 107 Ca -0.00 -0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.52 3d1m h LEU 107 Cb 1.21 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.05 3d1m h LEU 107 CO 0.13 0.59 0.21 0.78 -0.34 0.00 0.00 178.44 179.81 3d1m h ASN 108 N 0.62 1.08 -0.54 1.25 2.35 -0.36 0.71 115.58 120.68 3d1m h ASN 108 Ca 0.16 -0.22 0.02 0.00 -0.55 0.00 0.00 56.30 55.71 3d1m h ASN 108 Cb 0.14 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.19 3d1m h ASN 108 CO -0.02 1.01 0.34 0.00 -1.65 0.00 0.00 177.43 177.12 3d1m h ALA 109 N 1.10 0.69 -0.89 -0.83 0.00 -1.26 -2.72 119.26 115.36 3d1m h ALA 109 Ca 0.23 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3d1m h ALA 109 Cb 0.34 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3d1m h ALA 109 CO -0.00 0.08 0.50 1.25 0.00 0.00 0.00 179.25 181.08 3d1m h LEU 110 N 0.69 1.09 -0.89 0.00 5.85 -0.56 -2.22 115.31 119.27 3d1m h LEU 110 Ca 0.21 -0.09 0.08 0.00 0.84 0.00 0.00 57.88 58.93 3d1m h LEU 110 Cb -0.03 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 40.65 3d1m h LEU 110 CO -0.07 0.86 0.54 0.00 -0.34 0.00 0.00 178.44 179.44 3d1m h ALA 111 N 1.27 1.27 -0.28 1.25 0.00 -0.58 0.11 119.26 122.30 3d1m h ALA 111 Ca 0.31 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 3d1m h ALA 111 Cb -0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3d1m h ALA 111 CO -0.05 0.23 0.06 0.82 0.00 0.00 0.00 179.25 180.30 3d1m h ILE 112 N 0.94 1.22 -0.01 0.00 2.04 -1.21 -2.93 117.51 117.56 3d1m h ILE 112 Ca 0.41 -0.73 -0.14 0.00 1.00 0.00 0.00 64.86 65.40 3d1m h ILE 112 Cb 0.30 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 3d1m h ILE 112 CO -0.22 0.24 -0.67 0.77 0.00 0.00 0.00 178.15 178.27 3d1m h SER 113 N 0.28 0.04 -0.14 1.72 4.64 -0.70 -2.20 113.55 117.19 3d1m h SER 113 Ca 0.09 -0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3d1m h SER 113 Cb 0.30 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 3d1m h SER 113 CO 0.00 0.70 0.09 0.58 -0.87 0.00 0.00 176.83 177.33 3d1m h VAL 114 N 0.02 1.07 -0.53 0.95 2.07 -0.84 0.25 116.25 119.24 3d1m h VAL 114 Ca -0.01 -0.18 -0.05 0.00 0.82 0.00 0.00 66.70 67.28 3d1m h VAL 114 Cb 1.20 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 3d1m h VAL 114 CO 0.09 0.06 0.11 0.24 0.02 0.00 0.00 177.57 178.09 3d1m h MET 115 N 0.16 0.82 -0.32 1.57 2.86 -1.33 -1.16 114.93 117.53 3d1m h MET 115 Ca 0.05 -0.17 -0.03 0.00 -2.06 0.00 0.00 59.70 57.49 3d1m h MET 115 Cb 0.03 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 3d1m h MET 115 CO -0.01 0.75 0.09 -0.97 1.06 0.00 0.00 176.91 177.83 3d1m h ASN 116 N 0.79 0.47 -0.43 1.22 -1.24 -1.23 -2.90 115.58 112.25 3d1m h ASN 116 Ca 0.17 -0.22 -0.00 0.00 0.71 0.00 0.00 56.30 56.96 3d1m h ASN 116 Cb 0.32 -0.12 -0.02 0.00 0.73 0.00 0.00 38.32 39.22 3d1m h ASN 116 CO 0.00 0.56 0.27 -0.61 -1.29 0.00 0.00 177.43 176.36 3d1m h GLN 117 N 0.35 0.58 -2.76 6.67 5.75 -0.48 -3.39 115.11 121.84 3d1m h GLN 117 Ca 0.10 -0.05 -0.60 0.00 -0.15 0.00 0.00 58.65 57.96 3d1m h GLN 117 Cb 0.27 -0.12 -0.39 0.00 1.07 0.00 0.00 27.48 28.30 3d1m h GLN 117 CO -0.00 0.42 -0.80 -1.58 -2.65 0.00 0.00 178.83 174.22 3d1m s TRP 118 N -6.03 1.45 0.19 3.99 0.51 -0.48 -5.11 118.94 113.46 3d1m s TRP 118 Ca -0.13 -2.13 -0.32 0.00 -2.12 0.00 0.00 56.10 51.39 3d1m s TRP 118 Cb 0.11 -1.43 -0.15 0.00 -0.81 0.00 0.00 33.47 31.19 3d1m s TRP 118 CO 0.73 -0.80 1.28 -2.30 -0.51 0.00 0.00 176.95 175.35 3d1m n PRO 119 N 3.60 1.53 -0.14 4.98 -0.02 -1.10 -1.33 135.00 142.51 3d1m n PRO 119 Ca 0.13 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 3d1m n PRO 119 Cb 0.37 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 3d1m n PRO 119 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3d1m n GLY 120 N 2.13 1.27 3.53 -1.23 0.00 -1.26 -5.04 105.19 104.60 3d1m n GLY 120 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 3d1m n GLY 120 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d1m s VAL 121 N -2.64 3.28 0.24 1.61 1.01 -0.44 -5.01 120.40 118.45 3d1m s VAL 121 Ca 0.00 -0.93 0.08 0.00 0.00 0.00 0.00 61.98 61.13 3d1m s VAL 121 Cb 0.00 -2.40 -0.05 0.00 0.00 0.00 0.00 36.38 33.93 3d1m s VAL 121 CO 0.00 0.38 -0.13 -0.54 0.00 0.00 0.00 175.10 174.81 3d1m s LYS 122 N -1.39 1.46 0.28 2.72 1.02 -1.26 -4.04 119.74 118.53 3d1m s LYS 122 Ca 0.16 -1.68 -0.29 0.00 0.02 0.00 0.00 55.97 54.18 3d1m s LYS 122 Cb -0.11 -1.25 -0.10 0.00 -0.52 0.00 0.00 37.83 35.85 3d1m s LYS 122 CO 0.06 0.17 1.34 -1.17 -0.92 0.00 0.00 175.35 174.83 3d1m s LEU 123 N -3.39 4.42 -0.05 3.17 2.96 -1.26 0.25 118.68 124.77 3d1m s LEU 123 Ca 0.26 2.62 0.03 0.00 -0.22 0.00 0.00 54.13 56.82 3d1m s LEU 123 Cb -0.00 -3.63 0.01 0.00 0.50 0.00 0.00 46.19 43.06 3d1m s LEU 123 CO 0.10 -0.57 -0.14 -0.60 -1.32 0.00 0.00 176.35 173.82 3d1m s ARG 124 N -1.07 1.65 -0.23 1.98 3.52 -0.32 -1.00 118.95 123.49 3d1m s ARG 124 Ca 0.53 -0.47 -0.07 0.00 -0.13 0.00 0.00 55.73 55.59 3d1m s ARG 124 Cb -0.40 -1.40 -0.03 0.00 -1.56 0.00 0.00 34.95 31.56 3d1m s ARG 124 CO 0.47 0.12 0.06 0.08 -0.81 0.00 0.00 175.30 175.21 3d1m s VAL 125 N 0.38 4.28 -0.08 7.11 1.01 0.15 -1.07 120.40 132.18 3d1m s VAL 125 Ca -0.09 -0.19 0.04 0.00 0.00 0.00 0.00 61.98 61.74 3d1m s VAL 125 Cb -0.13 -2.99 -0.24 0.00 0.00 0.00 0.00 36.38 33.02 3d1m s VAL 125 CO 0.03 0.37 0.50 0.35 0.00 0.00 0.00 175.10 176.35 3d1m n THR 126 N 4.67 1.68 -3.99 3.92 -2.24 0.04 -0.55 114.28 117.81 3d1m n THR 126 Ca -0.16 -0.73 -0.18 0.00 -2.27 0.00 0.00 64.05 60.71 3d1m n THR 126 Cb 0.52 -1.34 -0.16 0.00 -2.10 0.00 0.00 70.33 67.24 3d1m n THR 126 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3d1m s GLU 127 N -2.58 0.44 0.00 -0.78 0.41 -1.18 -4.64 118.70 110.37 3d1m s GLU 127 Ca -0.13 0.03 0.00 0.00 -0.41 0.00 0.00 54.97 54.46 3d1m s GLU 127 Cb 0.07 -0.57 0.00 0.00 -1.78 0.00 0.00 34.13 31.85 3d1m s GLU 127 CO 0.80 -0.12 0.00 0.41 -0.49 0.00 0.00 175.26 175.86 3d1m n GLY 128 N 4.11 1.41 3.70 -1.39 0.00 -1.25 -0.88 105.19 110.89 3d1m n GLY 128 Ca -0.26 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.33 3d1m n GLY 128 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3d1m n TRP 129 N 0.00 2.33 -4.93 1.61 -0.00 -0.49 -4.77 117.44 111.19 3d1m n TRP 129 Ca 0.00 0.53 -0.26 0.00 -0.00 0.00 0.00 57.50 57.77 3d1m n TRP 129 Cb 0.00 -2.43 -0.16 0.00 -0.00 0.00 0.00 31.31 28.72 3d1m n TRP 129 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 3d1m s ASP 130 N -0.25 2.29 0.00 5.87 2.15 -0.70 -4.29 116.67 121.74 3d1m s ASP 130 Ca 0.56 -0.36 0.00 0.00 0.43 0.00 0.00 52.55 53.18 3d1m s ASP 130 Cb -0.57 -0.37 0.00 0.00 -0.30 0.00 0.00 42.92 41.68 3d1m s ASP 130 CO 0.61 0.22 0.44 -1.84 -0.17 0.00 0.00 175.17 174.43 3d1m n GLU 131 N 2.76 -0.81 0.09 4.34 0.28 -1.26 -4.52 120.64 121.51 3d1m n GLU 131 Ca -0.16 -0.45 -0.08 0.00 -0.16 0.00 0.00 57.16 56.32 3d1m n GLU 131 Cb 0.53 -0.93 0.03 0.00 1.43 0.00 0.00 31.44 32.49 3d1m n GLU 131 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 3d1m h ASP 132 N 0.00 0.25 0.00 -1.84 3.32 -2.01 -3.48 116.42 112.66 3d1m h ASP 132 Ca 0.00 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.87 3d1m h ASP 132 Cb 0.07 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3d1m h ASP 132 CO 0.00 0.95 0.00 0.61 -1.72 0.00 0.00 179.24 179.08 3d1m n GLY 133 N 0.72 0.82 0.37 2.75 0.00 -1.26 -4.98 105.19 103.61 3d1m n GLY 133 Ca -0.03 -0.30 0.13 0.00 0.00 0.00 0.00 46.02 45.82 3d1m n GLY 133 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3d1m n HIS 134 N -2.29 0.00 -1.82 1.61 1.44 -1.26 -4.92 115.22 107.99 3d1m n HIS 134 Ca 0.00 0.00 -0.29 0.00 -2.01 0.00 0.00 57.72 55.42 3d1m n HIS 134 Cb 0.00 -0.07 0.11 0.00 0.12 0.00 0.00 29.99 30.15 3d1m n HIS 134 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 3d1m s HIS 135 N -2.39 2.72 0.86 -1.40 3.76 -1.26 -5.04 115.29 112.55 3d1m s HIS 135 Ca 0.26 0.73 -0.11 0.00 -0.15 0.00 0.00 55.06 55.80 3d1m s HIS 135 Cb 0.19 -3.53 0.11 0.00 1.11 0.00 0.00 32.58 30.47 3d1m s HIS 135 CO 0.49 -2.00 1.14 -1.54 -0.85 0.00 0.00 174.74 171.98 3d1m s SER 136 N -4.48 3.45 0.31 1.40 1.04 -1.26 -4.89 113.70 109.27 3d1m s SER 136 Ca 0.63 2.11 -0.29 0.00 0.48 0.00 0.00 55.95 58.89 3d1m s SER 136 Cb -0.11 -2.56 -0.12 0.00 0.10 0.00 0.00 66.02 63.33 3d1m s SER 136 CO 0.50 -2.75 1.44 -0.62 0.98 0.00 0.00 173.24 172.80 3d1m n GLU 137 N -3.90 2.38 -2.85 4.02 -0.58 -1.26 -1.60 120.64 116.86 3d1m n GLU 137 Ca 0.11 0.84 -0.22 0.00 -0.42 0.00 0.00 57.16 57.48 3d1m n GLU 137 Cb 0.52 -2.53 0.02 0.00 -0.57 0.00 0.00 31.44 28.88 3d1m n GLU 137 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3d1m n GLU 138 N 1.28 -3.85 -1.92 3.49 1.02 -1.26 -4.95 120.64 114.45 3d1m n GLU 138 Ca 0.06 0.91 -0.41 0.00 -0.02 0.00 0.00 57.16 57.70 3d1m n GLU 138 Cb 0.36 -5.70 -0.01 0.00 -0.02 0.00 0.00 31.44 26.06 3d1m n GLU 138 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3d1m s SER 139 N -2.50 6.51 0.35 1.62 0.15 -0.62 -4.85 113.70 114.35 3d1m s SER 139 Ca 0.21 2.89 0.26 0.00 0.70 0.00 0.00 55.95 60.01 3d1m s SER 139 Cb -0.10 -2.66 1.21 0.00 -1.71 0.00 0.00 66.02 62.77 3d1m s SER 139 CO 0.27 -0.75 1.78 -0.07 1.20 0.00 0.00 173.24 175.66 3d1m h LEU 140 N 3.40 0.00 -1.86 3.45 3.38 -1.92 -1.21 115.31 120.56 3d1m h LEU 140 Ca -0.50 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.51 3d1m h LEU 140 Cb 1.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 3d1m h LEU 140 CO 0.67 0.00 0.16 0.45 0.09 0.00 0.00 178.44 179.81 3d1m h HIS 141 N 0.00 0.18 0.00 1.13 3.86 -1.86 -1.68 115.15 116.78 3d1m h HIS 141 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3d1m h HIS 141 Cb 0.21 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.62 3d1m h HIS 141 CO 0.00 0.11 0.00 0.66 0.86 0.00 0.00 177.93 179.56 3d1m n TYR 142 N -4.50 0.25 -1.20 2.45 4.01 -0.46 -1.73 117.16 115.99 3d1m n TYR 142 Ca 0.02 0.09 0.08 0.00 -0.16 0.00 0.00 57.90 57.93 3d1m n TYR 142 Cb 0.18 -0.65 0.11 0.00 -0.31 0.00 0.00 39.34 38.67 3d1m n TYR 142 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 3d1m n GLU 143 N -1.72 1.09 -1.75 -0.72 0.28 -0.91 -0.74 120.64 116.18 3d1m n GLU 143 Ca 0.04 -2.24 -0.09 0.00 -0.16 0.00 0.00 57.16 54.70 3d1m n GLU 143 Cb 0.22 -1.29 -0.02 0.00 1.43 0.00 0.00 31.44 31.78 3d1m n GLU 143 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3d1m n GLY 144 N -1.13 0.52 0.77 -1.84 0.00 -1.04 -4.62 105.19 97.83 3d1m n GLY 144 Ca 0.12 -0.55 0.07 0.00 0.00 0.00 0.00 46.02 45.67 3d1m n GLY 144 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d1m n ARG 145 N -2.30 2.35 -3.93 1.61 1.74 -0.68 -0.83 116.66 114.62 3d1m n ARG 145 Ca -0.10 -1.99 -0.10 0.00 -0.77 0.00 0.00 57.85 54.89 3d1m n ARG 145 Cb 0.45 -1.33 -0.10 0.00 -1.02 0.00 0.00 32.46 30.46 3d1m n ARG 145 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3d1m s ALA 146 N -1.06 -0.08 0.03 7.54 0.00 -1.22 -0.77 121.76 126.21 3d1m s ALA 146 Ca 0.27 -0.42 0.04 0.00 0.00 0.00 0.00 51.96 51.85 3d1m s ALA 146 Cb 0.15 0.15 -0.02 0.00 0.00 0.00 0.00 23.12 23.40 3d1m s ALA 146 CO 0.20 -0.21 -0.13 0.14 0.00 0.00 0.00 175.76 175.76 3d1m s VAL 147 N -1.67 1.01 -0.14 0.00 -7.23 0.17 -4.29 120.40 108.25 3d1m s VAL 147 Ca -0.13 -0.86 -0.06 0.00 -1.81 0.00 0.00 61.98 59.12 3d1m s VAL 147 Cb -0.07 -0.91 -0.04 0.00 0.56 0.00 0.00 36.38 35.92 3d1m s VAL 147 CO -0.01 0.05 0.06 -1.81 -0.31 0.00 0.00 175.10 173.08 3d1m s ASP 148 N -0.93 5.66 0.04 4.85 1.01 -0.06 -0.72 116.67 126.53 3d1m s ASP 148 Ca 0.02 0.18 0.00 0.00 0.71 0.00 0.00 52.55 53.45 3d1m s ASP 148 Cb -0.07 -1.85 -0.03 0.00 1.01 0.00 0.00 42.92 41.98 3d1m s ASP 148 CO 0.01 0.28 -0.04 0.27 0.21 0.00 0.00 175.17 175.90 3d1m s ILE 149 N -0.27 0.26 0.31 0.77 -4.36 0.17 -0.78 121.20 117.30 3d1m s ILE 149 Ca 0.08 -1.35 0.05 0.00 -0.26 0.00 0.00 60.65 59.17 3d1m s ILE 149 Cb -0.12 -0.89 -0.02 0.00 1.25 0.00 0.00 42.46 42.68 3d1m s ILE 149 CO 0.02 -0.70 0.20 0.35 0.24 0.00 0.00 174.94 175.04 3d1m n THR 150 N 0.89 0.00 -2.77 8.37 -2.24 -0.23 -1.27 114.28 117.03 3d1m n THR 150 Ca -0.19 -2.07 -0.28 0.00 -2.27 0.00 0.00 64.05 59.24 3d1m n THR 150 Cb 0.58 0.92 -0.01 0.00 -2.10 0.00 0.00 70.33 69.72 3d1m n THR 150 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3d1m s THR 151 N -3.05 4.90 0.59 4.28 -4.23 -1.26 -1.17 115.64 115.70 3d1m s THR 151 Ca 0.28 0.25 0.30 0.00 -1.18 0.00 0.00 61.69 61.34 3d1m s THR 151 Cb 0.01 -3.83 0.36 0.00 1.34 0.00 0.00 72.50 70.38 3d1m s THR 151 CO 0.20 -0.73 2.26 0.77 -0.54 0.00 0.00 174.62 176.58 3d1m h SER 152 N 0.58 0.00 -0.03 3.99 4.64 -0.51 -1.85 113.55 120.38 3d1m h SER 152 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3d1m h SER 152 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3d1m h SER 152 CO 0.62 0.01 0.00 -0.90 -0.87 0.00 0.00 176.83 175.69 3d1m n ASP 153 N -3.80 1.77 -2.35 4.97 5.75 -1.26 -4.95 116.55 116.68 3d1m n ASP 153 Ca -0.03 -1.60 -0.13 0.00 -0.01 0.00 0.00 54.79 53.03 3d1m n ASP 153 Cb 0.09 -0.01 -0.01 0.00 -1.03 0.00 0.00 41.12 40.16 3d1m n ASP 153 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3d1m n ARG 154 N 0.38 -2.12 -2.47 0.11 3.00 -0.69 -4.89 116.66 109.97 3d1m n ARG 154 Ca 0.18 0.63 -0.40 0.00 -0.01 0.00 0.00 57.85 58.24 3d1m n ARG 154 Cb 0.39 -5.20 -0.03 0.00 0.00 0.00 0.00 32.46 27.62 3d1m n ARG 154 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 3d1m s ASP 155 N -2.03 6.06 0.56 0.55 2.15 -1.26 -4.88 116.67 117.81 3d1m s ASP 155 Ca 0.00 -0.47 0.26 0.00 0.43 0.00 0.00 52.55 52.78 3d1m s ASP 155 Cb 0.00 -2.56 1.49 0.00 -0.30 0.00 0.00 42.92 41.55 3d1m s ASP 155 CO 0.00 -1.89 2.03 0.03 -0.17 0.00 0.00 175.17 175.16 3d1m h ARG 156 N 10.69 0.00 0.00 4.34 3.08 -1.90 -0.13 114.38 130.46 3d1m h ARG 156 Ca -0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.84 3d1m h ARG 156 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.11 3d1m h ARG 156 CO 1.29 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 179.06 3d1m n SER 157 N -4.09 0.60 0.03 7.04 3.41 -1.26 -1.59 113.62 117.76 3d1m n SER 157 Ca 0.06 0.68 0.12 0.00 -0.26 0.00 0.00 58.87 59.47 3d1m n SER 157 Cb 0.49 -0.79 0.27 0.00 -0.26 0.00 0.00 64.21 63.92 3d1m n SER 157 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3d1m n LYS 158 N -2.19 0.13 0.06 4.33 5.02 -0.06 -4.55 118.16 120.89 3d1m n LYS 158 Ca 0.01 0.05 -0.03 0.00 -2.02 0.00 0.00 58.31 56.32 3d1m n LYS 158 Cb 0.18 -1.59 0.22 0.00 -0.02 0.00 0.00 35.03 33.82 3d1m n LYS 158 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 3d1m h TYR 159 N 0.00 0.41 -0.74 2.13 0.05 -1.42 0.16 116.97 117.55 3d1m h TYR 159 Ca 0.00 -0.10 -0.05 0.00 0.05 0.00 0.00 58.73 58.64 3d1m h TYR 159 Cb 0.61 -0.10 -0.03 0.00 1.01 0.00 0.00 36.73 38.22 3d1m h TYR 159 CO 0.00 0.65 0.28 0.78 -1.05 0.00 0.00 178.16 178.82 3d1m h GLY 160 N 1.09 1.21 1.17 3.88 0.00 -1.79 -0.04 103.07 108.59 3d1m h GLY 160 Ca 0.04 -0.68 -0.18 0.00 0.00 0.00 0.00 47.33 46.51 3d1m h GLY 160 CO 0.06 0.64 -0.51 1.98 0.00 0.00 0.00 176.54 178.70 3d1m h MET 161 N 1.08 0.88 -0.67 4.80 1.85 -1.73 -1.36 114.93 119.78 3d1m h MET 161 Ca 0.25 -0.54 0.10 0.00 -0.61 0.00 0.00 59.70 58.90 3d1m h MET 161 Cb 0.24 0.05 -0.07 0.00 0.43 0.00 0.00 31.60 32.25 3d1m h MET 161 CO -0.02 1.17 0.30 1.25 -0.40 0.00 0.00 176.91 179.21 3d1m h LEU 162 N 0.68 0.34 -0.23 3.39 5.85 -0.60 0.86 115.31 125.60 3d1m h LEU 162 Ca 0.02 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.82 3d1m h LEU 162 Cb 1.12 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 3d1m h LEU 162 CO 0.12 0.19 0.15 0.00 -0.34 0.00 0.00 178.44 178.56 3d1m h ALA 163 N 1.44 0.30 -0.54 1.25 0.00 -0.85 -0.87 119.26 119.98 3d1m h ALA 163 Ca 0.34 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.27 3d1m h ALA 163 Cb 0.40 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 3d1m h ALA 163 CO -0.30 -0.21 0.27 -0.09 0.00 0.00 0.00 179.25 178.92 3d1m h ARG 164 N 0.30 0.50 -0.72 0.00 9.65 -0.62 -0.64 114.38 122.86 3d1m h ARG 164 Ca 0.09 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.94 3d1m h ARG 164 Cb -0.01 -0.11 -0.04 0.00 -1.39 0.00 0.00 29.97 28.42 3d1m h ARG 164 CO -0.02 0.33 0.45 -0.07 2.80 0.00 0.00 179.97 183.47 3d1m h LEU 165 N 0.52 0.84 -0.76 3.80 3.38 -0.48 -0.92 115.31 121.70 3d1m h LEU 165 Ca 0.24 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 58.10 3d1m h LEU 165 Cb 0.16 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 3d1m h LEU 165 CO -0.17 0.63 0.10 0.00 0.09 0.00 0.00 178.44 179.09 3d1m h ALA 166 N 1.52 0.97 -0.18 1.53 0.00 -0.23 0.16 119.26 123.04 3d1m h ALA 166 Ca 0.26 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3d1m h ALA 166 Cb -0.07 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3d1m h ALA 166 CO -0.05 0.65 0.12 0.28 0.00 0.00 0.00 179.25 180.24 3d1m h VAL 167 N 0.98 1.05 0.00 0.00 2.07 -0.45 -2.72 116.25 117.18 3d1m h VAL 167 Ca 0.19 -0.08 -0.04 0.00 0.82 0.00 0.00 66.70 67.59 3d1m h VAL 167 Cb 0.43 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 3d1m h VAL 167 CO 0.01 0.04 -0.20 -0.33 0.02 0.00 0.00 177.57 177.12 3d1m h GLU 168 N 0.24 0.00 0.00 1.57 4.39 -0.62 -1.20 114.58 118.96 3d1m h GLU 168 Ca 0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.76 3d1m h GLU 168 Cb -0.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 3d1m h GLU 168 CO -0.01 0.20 0.00 0.00 -1.16 0.00 0.00 179.01 178.03 3d1m n ALA 169 N -2.27 1.98 0.00 3.43 0.00 0.52 -4.93 120.51 119.24 3d1m n ALA 169 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3d1m n ALA 169 Cb 0.35 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.40 3d1m n ALA 169 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d1m n GLY 170 N 0.68 1.01 3.74 0.00 0.00 -0.45 -4.68 105.19 105.49 3d1m n GLY 170 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 3d1m n GLY 170 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3d1m n PHE 171 N -1.48 2.74 0.22 1.61 3.72 -1.05 -4.88 117.46 118.34 3d1m n PHE 171 Ca 0.00 0.38 0.11 0.00 -0.05 0.00 0.00 57.45 57.88 3d1m n PHE 171 Cb 0.00 -2.54 0.32 0.00 -0.94 0.00 0.00 39.48 36.33 3d1m n PHE 171 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3d1m h ASP 172 N 3.80 0.00 -3.58 4.37 3.32 -1.54 -3.43 116.42 119.36 3d1m h ASP 172 Ca -0.48 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.40 3d1m h ASP 172 Cb 1.24 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 40.52 3d1m h ASP 172 CO 0.71 0.17 -0.43 0.86 -1.72 0.00 0.00 179.24 178.83 3d1m s TRP 173 N -3.37 -0.34 -0.05 4.55 -0.00 -0.98 -4.13 118.94 114.62 3d1m s TRP 173 Ca 0.03 0.80 0.02 0.00 -0.00 0.00 0.00 56.10 56.95 3d1m s TRP 173 Cb 0.08 0.09 0.01 0.00 -0.00 0.00 0.00 33.47 33.65 3d1m s TRP 173 CO 0.65 -0.20 -0.11 0.08 -0.00 0.00 0.00 176.95 177.37 3d1m s VAL 174 N 0.71 1.00 -0.06 5.86 1.01 -0.09 -1.06 120.40 127.77 3d1m s VAL 174 Ca -0.05 -0.43 -0.01 0.00 0.00 0.00 0.00 61.98 61.49 3d1m s VAL 174 Cb -0.06 -0.91 0.03 0.00 0.00 0.00 0.00 36.38 35.44 3d1m s VAL 174 CO -0.04 0.32 0.01 -0.47 0.00 0.00 0.00 175.10 174.92 3d1m s TYR 175 N 0.50 0.49 -1.34 5.22 5.04 0.12 -0.87 117.35 126.51 3d1m s TYR 175 Ca -0.10 -0.05 -0.13 0.00 -2.44 0.00 0.00 57.07 54.34 3d1m s TYR 175 Cb -0.13 -0.68 0.10 0.00 0.35 0.00 0.00 41.96 41.60 3d1m s TYR 175 CO 0.02 -0.27 1.92 0.98 -1.34 0.00 0.00 175.55 176.86 3d1m n TYR 176 N 5.01 3.80 0.08 4.97 4.19 -0.27 -0.91 117.16 134.02 3d1m n TYR 176 Ca -0.09 -2.95 -0.05 0.00 3.31 0.00 0.00 57.90 58.12 3d1m n TYR 176 Cb 0.50 -2.35 0.15 0.00 0.49 0.00 0.00 39.34 38.13 3d1m n TYR 176 CO 0.00 0.00 0.00 1.49 0.91 0.00 0.00 176.86 179.26 3d1m h GLU 177 N 6.40 0.28 -3.81 2.98 4.81 -1.85 0.85 114.58 124.25 3d1m h GLU 177 Ca 0.46 -0.17 -0.13 0.00 -0.13 0.00 0.00 59.36 59.39 3d1m h GLU 177 Cb 0.72 0.02 -0.18 0.00 0.63 0.00 0.00 28.75 29.93 3d1m h GLU 177 CO 1.64 0.74 -0.54 0.45 -0.73 0.00 0.00 179.01 180.56 3d1m s SER 178 N -6.89 0.18 0.62 1.04 0.15 -1.14 -4.80 113.70 102.87 3d1m s SER 178 Ca -0.05 -0.52 0.35 0.00 0.70 0.00 0.00 55.95 56.43 3d1m s SER 178 Cb 0.12 0.21 1.98 0.00 -1.71 0.00 0.00 66.02 66.63 3d1m s SER 178 CO 0.79 -0.48 2.24 0.11 1.20 0.00 0.00 173.24 177.10 3d1m h LYS 179 N 3.79 0.00 0.00 5.44 1.57 -2.01 -3.02 116.57 122.34 3d1m h LYS 179 Ca -0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 3d1m h LYS 179 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 3d1m h LYS 179 CO 0.49 0.00 -0.96 0.00 -0.57 0.00 0.00 179.45 178.42 3d1m n ALA 180 N -2.20 3.85 -3.51 3.86 0.00 -1.26 -4.87 120.51 116.37 3d1m n ALA 180 Ca -0.02 -0.46 -0.08 0.00 0.00 0.00 0.00 53.44 52.87 3d1m n ALA 180 Cb 0.16 -0.93 -0.02 0.00 0.00 0.00 0.00 19.45 18.66 3d1m n ALA 180 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 3d1m s HIS 181 N -3.11 -0.35 -0.11 0.00 -3.43 -1.14 -4.84 115.29 102.32 3d1m s HIS 181 Ca 0.06 0.20 -0.05 0.00 -0.80 0.00 0.00 55.06 54.47 3d1m s HIS 181 Cb 0.16 0.55 -0.04 0.00 -1.43 0.00 0.00 32.58 31.81 3d1m s HIS 181 CO 0.81 -0.58 0.06 0.42 -2.00 0.00 0.00 174.74 173.45 3d1m s ILE 182 N -3.17 4.83 -0.22 -5.38 -1.09 -0.39 -2.89 121.20 112.89 3d1m s ILE 182 Ca 0.05 -0.04 -0.08 0.00 -2.23 0.00 0.00 60.65 58.35 3d1m s ILE 182 Cb -0.01 -3.08 -0.04 0.00 -1.58 0.00 0.00 42.46 37.75 3d1m s ILE 182 CO -0.09 0.59 0.07 -2.28 -1.23 0.00 0.00 174.94 172.00 3d1m s HIS 183 N -0.75 3.16 -0.02 3.97 5.65 -0.09 -0.65 115.29 126.57 3d1m s HIS 183 Ca 0.12 -0.15 0.04 0.00 0.25 0.00 0.00 55.06 55.33 3d1m s HIS 183 Cb -0.12 -2.17 -0.01 0.00 -1.18 0.00 0.00 32.58 29.11 3d1m s HIS 183 CO 0.03 -0.10 -0.14 0.00 -0.65 0.00 0.00 174.74 173.87 3d1m s SER 185 N -0.20 0.28 0.20 0.00 1.04 -0.22 -0.65 113.70 114.15 3d1m s SER 185 Ca 0.03 -1.22 0.05 0.00 0.48 0.00 0.00 55.95 55.29 3d1m s SER 185 Cb -0.07 0.31 -0.05 0.00 0.10 0.00 0.00 66.02 66.31 3d1m s SER 185 CO 0.00 -0.75 -0.07 0.68 0.98 0.00 0.00 173.24 174.09 3d1m s VAL 186 N -4.06 1.27 0.77 5.02 -7.23 0.05 -1.32 120.40 114.90 3d1m s VAL 186 Ca 0.25 -2.08 -0.13 0.00 -1.81 0.00 0.00 61.98 58.21 3d1m s VAL 186 Cb 0.07 -2.14 0.06 0.00 0.56 0.00 0.00 36.38 34.94 3d1m s VAL 186 CO 0.03 -0.51 1.15 -0.54 -0.31 0.00 0.00 175.10 174.91 3d1m s LYS 187 N -3.77 2.04 0.83 4.82 1.02 -1.25 -4.84 119.74 118.59 3d1m s LYS 187 Ca 0.23 1.50 -0.11 0.00 0.02 0.00 0.00 55.97 57.62 3d1m s LYS 187 Cb 0.03 -1.85 0.09 0.00 -0.52 0.00 0.00 37.83 35.59 3d1m s LYS 187 CO 0.06 -1.86 1.10 0.00 -0.92 0.00 0.00 175.35 173.73 3d1m s ALA 188 N -2.42 1.91 -2.00 5.17 0.00 -1.26 -4.89 121.76 118.27 3d1m s ALA 188 Ca 0.68 0.28 0.13 0.00 0.00 0.00 0.00 51.96 53.05 3d1m s ALA 188 Cb -0.23 -3.30 0.75 0.00 0.00 0.00 0.00 23.12 20.34 3d1m s ALA 188 CO 0.50 -2.13 1.18 0.39 0.00 0.00 0.00 175.76 175.70