#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n1q s LEU 40 N 0.00 4.57 -0.34 1.08 1.43 -1.26 -5.03 118.68 119.13 3n1q s LEU 40 Ca 0.00 2.20 -0.05 0.00 -1.03 0.00 0.00 54.13 55.24 3n1q s LEU 40 Cb 0.00 -3.62 0.05 0.00 0.03 0.00 0.00 46.19 42.65 3n1q s LEU 40 CO 0.00 -0.08 0.09 -0.69 0.23 0.00 0.00 176.35 175.90 3n1q s VAL 41 N -1.13 3.59 0.56 -1.59 1.01 -1.26 -5.09 120.40 116.49 3n1q s VAL 41 Ca 0.44 -1.26 -0.20 0.00 0.00 0.00 0.00 61.98 60.96 3n1q s VAL 41 Cb -0.31 -3.07 -0.06 0.00 0.00 0.00 0.00 36.38 32.94 3n1q s VAL 41 CO 0.39 -0.21 0.99 -0.81 0.00 0.00 0.00 175.10 175.46 3n1q n PRO 42 N 4.76 1.05 -2.58 2.72 -0.04 -1.26 -4.79 135.00 134.86 3n1q n PRO 42 Ca -0.12 0.40 -0.32 0.00 -0.04 0.00 0.00 63.50 63.41 3n1q n PRO 42 Cb 0.44 -2.15 -0.05 0.00 -0.04 0.00 0.00 33.50 31.70 3n1q n PRO 42 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3n1q s LEU 43 N -1.68 3.76 0.75 1.53 1.43 -0.75 -4.93 118.68 118.80 3n1q s LEU 43 Ca 0.72 1.61 -0.11 0.00 -1.03 0.00 0.00 54.13 55.32 3n1q s LEU 43 Cb -0.45 -4.51 0.05 0.00 0.03 0.00 0.00 46.19 41.31 3n1q s LEU 43 CO 0.50 -0.49 1.13 -0.76 0.23 0.00 0.00 176.35 176.96 3n1q s LEU 44 N -3.70 2.71 0.14 1.79 1.43 -1.26 -4.57 118.68 115.22 3n1q s LEU 44 Ca 0.60 0.94 -0.31 0.00 -1.03 0.00 0.00 54.13 54.33 3n1q s LEU 44 Cb -0.10 -3.58 -0.09 0.00 0.03 0.00 0.00 46.19 42.46 3n1q s LEU 44 CO 0.24 -1.62 1.43 -0.47 0.23 0.00 0.00 176.35 176.16 3n1q s TYR 45 N -3.46 3.19 -0.12 0.29 5.04 -1.26 -2.10 117.35 118.94 3n1q s TYR 45 Ca 0.60 0.91 0.00 0.00 -2.44 0.00 0.00 57.07 56.14 3n1q s TYR 45 Cb -0.11 -3.74 0.00 0.00 0.35 0.00 0.00 41.96 38.46 3n1q s TYR 45 CO 0.50 -2.59 0.00 1.63 -1.34 0.00 0.00 175.55 173.75 3n1q n LYS 46 N 3.72 -0.44 -3.38 4.97 4.76 -0.92 -5.01 118.16 121.86 3n1q n LYS 46 Ca 0.11 0.24 -0.37 0.00 -2.87 0.00 0.00 58.31 55.42 3n1q n LYS 46 Cb 0.41 -3.68 -0.06 0.00 -1.84 0.00 0.00 35.03 29.86 3n1q n LYS 46 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 3n1q s GLN 47 N -0.91 4.30 -0.03 1.97 0.74 -0.89 -4.86 119.66 119.98 3n1q s GLN 47 Ca 0.00 0.36 0.06 0.00 0.05 0.00 0.00 55.36 55.83 3n1q s GLN 47 Cb 0.00 -3.43 -0.02 0.00 1.10 0.00 0.00 33.01 30.66 3n1q s GLN 47 CO 0.00 0.20 -0.19 -0.59 -0.55 0.00 0.00 175.29 174.16 3n1q s PHE 48 N 0.52 2.55 -0.08 1.67 -0.71 -1.26 -2.11 117.98 118.56 3n1q s PHE 48 Ca 0.23 -0.27 0.02 0.00 -1.04 0.00 0.00 56.93 55.87 3n1q s PHE 48 Cb -0.15 -1.56 0.02 0.00 -1.21 0.00 0.00 43.02 40.12 3n1q s PHE 48 CO 0.09 0.12 -0.12 0.08 -1.34 0.00 0.00 175.22 174.05 3n1q s VAL 49 N -0.72 1.17 1.02 -2.49 1.01 0.91 -3.37 120.40 117.94 3n1q s VAL 49 Ca 0.11 -0.47 -0.12 0.00 0.00 0.00 0.00 61.98 61.50 3n1q s VAL 49 Cb -0.10 -1.09 0.20 0.00 0.00 0.00 0.00 36.38 35.39 3n1q s VAL 49 CO 0.01 0.37 1.09 -2.16 0.00 0.00 0.00 175.10 174.41 3n1q s PRO 50 N 0.89 0.27 -1.09 2.72 0.04 -1.26 -0.65 135.00 135.92 3n1q s PRO 50 Ca -0.10 0.51 -0.08 0.00 0.04 0.00 0.00 61.00 61.37 3n1q s PRO 50 Cb -0.15 -1.72 -0.14 0.00 0.04 0.00 0.00 34.50 32.53 3n1q s PRO 50 CO 0.01 -2.84 3.09 0.41 0.04 0.00 0.00 177.00 177.71 3n1q n GLY 51 N -0.96 3.79 3.23 0.56 0.00 -1.22 -4.82 105.19 105.76 3n1q n GLY 51 Ca 0.05 -1.36 -0.09 0.00 0.00 0.00 0.00 46.02 44.62 3n1q n GLY 51 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3n1q s VAL 52 N 1.90 0.12 0.56 1.61 -7.23 -1.26 -5.11 120.40 110.98 3n1q s VAL 52 Ca 0.67 -1.44 -0.19 0.00 -1.81 0.00 0.00 61.98 59.21 3n1q s VAL 52 Cb 0.22 -1.64 -0.08 0.00 0.56 0.00 0.00 36.38 35.44 3n1q s VAL 52 CO -0.04 -0.54 0.76 -2.65 -0.31 0.00 0.00 175.10 172.32 3n1q n PRO 53 N -0.10 0.77 0.14 4.82 -0.02 -1.26 -4.89 135.00 134.46 3n1q n PRO 53 Ca -0.11 0.29 0.02 0.00 -2.02 0.00 0.00 63.50 61.68 3n1q n PRO 53 Cb 0.63 -1.92 0.36 0.00 -0.02 0.00 0.00 33.50 32.55 3n1q n PRO 53 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3n1q h GLU 54 N 0.52 0.15 -0.38 -0.52 4.81 -1.95 -2.98 114.58 114.24 3n1q h GLU 54 Ca -0.46 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 3n1q h GLU 54 Cb 1.38 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.74 3n1q h GLU 54 CO 0.50 0.40 0.00 0.54 -0.73 0.00 0.00 179.01 179.72 3n1q n ARG 55 N -4.19 2.01 -1.83 1.92 1.74 -1.26 -2.68 116.66 112.38 3n1q n ARG 55 Ca -0.01 -1.55 -0.29 0.00 -0.77 0.00 0.00 57.85 55.22 3n1q n ARG 55 Cb 0.34 -1.37 0.12 0.00 -1.02 0.00 0.00 32.46 30.53 3n1q n ARG 55 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3n1q s THR 56 N -1.49 1.99 0.20 0.55 -4.23 -1.13 -2.92 115.64 108.61 3n1q s THR 56 Ca 0.31 0.00 0.09 0.00 -1.18 0.00 0.00 61.69 60.91 3n1q s THR 56 Cb 0.17 -2.95 -0.11 0.00 1.34 0.00 0.00 72.50 70.95 3n1q s THR 56 CO 0.23 0.00 1.46 -0.07 -0.54 0.00 0.00 174.62 175.69 3n1q h LEU 57 N -1.30 0.01 -1.98 4.79 3.38 -1.90 -1.32 115.31 116.98 3n1q h LEU 57 Ca -0.46 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.48 3n1q h LEU 57 Cb 1.31 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.05 3n1q h LEU 57 CO 0.58 0.80 -0.10 1.23 0.09 0.00 0.00 178.44 181.04 3n1q h GLY 58 N 2.37 0.00 0.00 0.83 0.00 -1.94 -3.43 103.07 100.90 3n1q h GLY 58 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 3n1q h GLY 58 CO 0.10 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.64 3n1q n ALA 59 N -2.36 0.00 0.10 3.60 0.00 -1.16 -4.92 120.51 115.76 3n1q n ALA 59 Ca -0.02 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.37 3n1q n ALA 59 Cb 0.20 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.67 3n1q n ALA 59 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3n1q h SER 60 N 0.00 0.02 -5.00 0.00 0.02 -1.63 -3.45 113.55 103.51 3n1q h SER 60 Ca 0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3n1q h SER 60 Cb 0.00 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3n1q h SER 60 CO 0.00 0.82 0.00 0.61 -1.14 0.00 0.00 176.83 177.12 3n1q n GLY 61 N 0.80 -3.04 3.76 -3.77 0.00 -0.51 -3.79 105.19 98.64 3n1q n GLY 61 Ca -0.01 -2.17 -0.32 0.00 0.00 0.00 0.00 46.02 43.52 3n1q n GLY 61 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3n1q s PRO 62 N -0.97 2.39 -0.09 1.61 0.02 -1.15 -4.10 135.00 132.71 3n1q s PRO 62 Ca 0.00 1.33 -0.22 0.00 0.02 0.00 0.00 61.00 62.13 3n1q s PRO 62 Cb 0.00 -1.90 -0.04 0.00 0.02 0.00 0.00 34.50 32.58 3n1q s PRO 62 CO 0.00 -1.56 0.65 0.00 -0.33 0.00 0.00 177.00 175.75 3n1q s ALA 63 N -2.59 3.39 -0.52 -1.55 0.00 -1.26 -4.92 121.76 114.30 3n1q s ALA 63 Ca 0.65 0.02 0.07 0.00 0.00 0.00 0.00 51.96 52.71 3n1q s ALA 63 Cb -0.20 -2.89 0.47 0.00 0.00 0.00 0.00 23.12 20.50 3n1q s ALA 63 CO 0.49 -0.14 1.27 0.39 0.00 0.00 0.00 175.76 177.78 3n1q n GLU 64 N 3.91 3.11 0.00 0.00 1.02 -1.26 -5.00 120.64 122.41 3n1q n GLU 64 Ca -0.02 -1.84 0.00 0.00 -0.02 0.00 0.00 57.16 55.28 3n1q n GLU 64 Cb 0.51 -1.92 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 3n1q n GLU 64 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3n1q n GLY 65 N 0.27 1.31 3.81 0.62 0.00 -1.26 -5.02 105.19 104.92 3n1q n GLY 65 Ca 0.19 -1.92 -0.36 0.00 0.00 0.00 0.00 46.02 43.92 3n1q n GLY 65 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3n1q s ARG 66 N -2.36 4.28 -0.21 1.61 3.52 -1.26 -4.75 118.95 119.78 3n1q s ARG 66 Ca 0.00 0.91 -0.06 0.00 -0.13 0.00 0.00 55.73 56.44 3n1q s ARG 66 Cb 0.00 -2.90 -0.03 0.00 -1.56 0.00 0.00 34.95 30.47 3n1q s ARG 66 CO 0.00 0.40 0.03 0.08 -0.81 0.00 0.00 175.30 175.00 3n1q s VAL 67 N -1.51 4.22 0.23 7.11 1.01 -0.29 -5.03 120.40 126.15 3n1q s VAL 67 Ca 0.43 -0.22 0.04 0.00 0.00 0.00 0.00 61.98 62.23 3n1q s VAL 67 Cb -0.17 -2.93 -0.03 0.00 0.00 0.00 0.00 36.38 33.25 3n1q s VAL 67 CO 0.21 0.41 0.36 0.00 0.00 0.00 0.00 175.10 176.08 3n1q s ALA 68 N 1.03 3.92 0.21 5.51 0.00 -1.26 -4.83 121.76 126.34 3n1q s ALA 68 Ca 0.03 -1.16 -0.09 0.00 0.00 0.00 0.00 51.96 50.74 3n1q s ALA 68 Cb -0.14 -1.77 0.23 0.00 0.00 0.00 0.00 23.12 21.44 3n1q s ALA 68 CO 0.02 0.29 1.83 -0.09 0.00 0.00 0.00 175.76 177.81 3n1q h ARG 69 N 1.35 0.76 -0.01 0.00 2.43 -1.99 -1.95 114.38 114.98 3n1q h ARG 69 Ca -0.51 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.61 3n1q h ARG 69 Cb 1.22 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 3n1q h ARG 69 CO 0.63 0.51 0.00 0.41 -1.51 0.00 0.00 179.97 180.00 3n1q n GLY 70 N -1.29 -0.82 3.93 2.80 0.00 -1.26 -4.80 105.19 103.74 3n1q n GLY 70 Ca 0.09 -0.21 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 3n1q n GLY 70 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3n1q s SER 71 N -1.85 3.62 0.04 1.61 1.04 -0.73 -5.00 113.70 112.42 3n1q s SER 71 Ca 0.40 0.39 0.08 0.00 0.48 0.00 0.00 55.95 57.30 3n1q s SER 71 Cb 0.19 -0.59 -0.23 0.00 0.10 0.00 0.00 66.02 65.49 3n1q s SER 71 CO 0.31 -2.42 0.98 -0.08 0.98 0.00 0.00 173.24 173.01 3n1q h GLU 72 N -1.39 0.03 0.00 4.02 4.57 -1.90 -3.27 114.58 116.64 3n1q h GLU 72 Ca -0.45 -0.06 -0.06 0.00 -1.18 0.00 0.00 59.36 57.62 3n1q h GLU 72 Cb 1.27 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.87 3n1q h GLU 72 CO 0.47 0.82 -0.29 0.00 -1.18 0.00 0.00 179.01 178.82 3n1q h ARG 73 N 0.01 0.00 0.00 1.92 3.08 -1.94 -2.58 114.38 114.86 3n1q h ARG 73 Ca -0.15 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.87 3n1q h ARG 73 Cb 1.90 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.94 3n1q h ARG 73 CO 0.11 0.29 -0.16 0.35 -1.07 0.00 0.00 179.97 179.49 3n1q h PHE 74 N 0.00 0.00 0.00 3.04 3.57 -1.76 -2.54 116.94 119.24 3n1q h PHE 74 Ca -0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 3n1q h PHE 74 Cb 0.68 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.42 3n1q h PHE 74 CO 0.00 0.16 -0.03 0.00 -2.23 0.00 0.00 178.31 176.21 3n1q h ARG 75 N 0.00 0.00 0.00 1.11 3.08 -1.59 -2.26 114.38 114.72 3n1q h ARG 75 Ca -0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 3n1q h ARG 75 Cb 0.29 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 3n1q h ARG 75 CO 0.02 0.03 -0.37 -0.44 -1.07 0.00 0.00 179.97 178.15 3n1q h ASP 76 N 0.00 0.00 -2.85 7.04 3.32 -1.56 -3.44 116.42 118.93 3n1q h ASP 76 Ca -0.00 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.50 3n1q h ASP 76 Cb 0.65 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.18 3n1q h ASP 76 CO 0.00 0.37 0.91 -0.76 -1.72 0.00 0.00 179.24 178.04 3n1q s LEU 77 N -6.61 4.26 -0.14 1.55 1.43 -0.85 -4.74 118.68 113.57 3n1q s LEU 77 Ca 0.03 1.96 -0.03 0.00 -1.03 0.00 0.00 54.13 55.05 3n1q s LEU 77 Cb 0.09 -3.55 -0.03 0.00 0.03 0.00 0.00 46.19 42.73 3n1q s LEU 77 CO 0.70 -0.77 -0.03 -0.69 0.23 0.00 0.00 176.35 175.79 3n1q s VAL 78 N 3.19 3.96 0.20 -1.59 1.01 -1.15 -4.84 120.40 121.18 3n1q s VAL 78 Ca 0.62 -0.34 -0.32 0.00 0.00 0.00 0.00 61.98 61.94 3n1q s VAL 78 Cb -0.28 -2.72 -0.11 0.00 0.00 0.00 0.00 36.38 33.27 3n1q s VAL 78 CO 0.22 0.51 1.69 -2.84 0.00 0.00 0.00 175.10 174.68 3n1q s PRO 79 N 0.15 4.14 -0.27 2.72 0.02 -1.26 -3.47 135.00 137.04 3n1q s PRO 79 Ca -0.01 2.55 -0.17 0.00 0.02 0.00 0.00 61.00 63.40 3n1q s PRO 79 Cb -0.14 -3.10 -0.03 0.00 0.02 0.00 0.00 34.50 31.25 3n1q s PRO 79 CO 0.03 -0.72 0.46 1.21 -0.33 0.00 0.00 177.00 177.64 3n1q s ASN 80 N 1.20 6.35 -0.07 2.53 3.84 0.14 -4.94 114.94 124.00 3n1q s ASN 80 Ca 0.74 0.39 0.12 0.00 0.21 0.00 0.00 52.86 54.32 3n1q s ASN 80 Cb -0.48 -2.25 0.35 0.00 -0.55 0.00 0.00 41.25 38.32 3n1q s ASN 80 CO 0.32 -0.26 1.28 -1.22 -2.79 0.00 0.00 177.10 174.43 3n1q n TYR 81 N 5.47 0.56 -1.45 0.43 4.01 -1.26 -4.71 117.16 120.21 3n1q n TYR 81 Ca -0.06 -0.65 -0.53 0.00 -0.16 0.00 0.00 57.90 56.50 3n1q n TYR 81 Cb 0.50 -0.13 -0.08 0.00 -0.31 0.00 0.00 39.34 39.32 3n1q n TYR 81 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3n1q n ASN 82 N -0.01 2.00 0.21 7.72 5.15 -1.26 -4.78 115.26 124.29 3n1q n ASN 82 Ca 0.14 0.54 0.14 0.00 -0.60 0.00 0.00 54.58 54.80 3n1q n ASN 82 Cb 0.58 -1.20 0.77 0.00 -0.53 0.00 0.00 39.78 39.39 3n1q n ASN 82 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3n1q h PRO 83 N 11.27 0.00 0.00 1.20 0.13 -2.04 -1.12 132.00 141.44 3n1q h PRO 83 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3n1q h PRO 83 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 3n1q h PRO 83 CO 1.02 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.54 3n1q n ASP 84 N -2.49 0.16 -4.23 1.44 8.00 -1.26 -4.74 116.55 113.43 3n1q n ASP 84 Ca -0.02 0.53 -0.29 0.00 0.71 0.00 0.00 54.79 55.73 3n1q n ASP 84 Cb 0.05 -0.57 -0.16 0.00 -0.02 0.00 0.00 41.12 40.42 3n1q n ASP 84 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3n1q s ILE 85 N -3.06 1.76 -0.11 0.53 1.01 -0.43 -3.86 121.20 117.04 3n1q s ILE 85 Ca 0.08 -0.93 -0.18 0.00 0.00 0.00 0.00 60.65 59.62 3n1q s ILE 85 Cb 0.11 -1.48 -0.04 0.00 0.01 0.00 0.00 42.46 41.06 3n1q s ILE 85 CO 0.35 0.50 0.46 -0.63 0.00 0.00 0.00 174.94 175.62 3n1q s ILE 86 N -0.33 5.18 -0.28 2.92 1.01 -0.10 -4.90 121.20 124.70 3n1q s ILE 86 Ca 0.03 0.92 -0.01 0.00 0.00 0.00 0.00 60.65 61.60 3n1q s ILE 86 Cb -0.10 -3.80 0.04 0.00 0.01 0.00 0.00 42.46 38.61 3n1q s ILE 86 CO 0.01 0.35 -0.04 -0.36 0.00 0.00 0.00 174.94 174.90 3n1q s PHE 87 N 0.46 3.21 0.14 3.97 0.08 -1.26 -0.09 117.98 124.49 3n1q s PHE 87 Ca 0.25 -1.86 -0.31 0.00 0.12 0.00 0.00 56.93 55.13 3n1q s PHE 87 Cb -0.15 -2.06 -0.06 0.00 -0.57 0.00 0.00 43.02 40.17 3n1q s PHE 87 CO 0.10 -0.80 1.55 -0.22 -0.10 0.00 0.00 175.22 175.76 3n1q h LYS 88 N 7.96 -0.30 -6.56 0.44 3.64 -1.59 -3.46 116.57 116.70 3n1q h LYS 88 Ca -0.24 0.02 -0.51 0.00 -1.27 0.00 0.00 60.65 58.65 3n1q h LYS 88 Cb 1.07 0.07 0.03 0.00 -0.41 0.00 0.00 32.23 32.98 3n1q h LYS 88 CO 0.53 -0.20 -0.97 -3.47 -2.27 0.00 0.00 179.45 173.07 3n1q n ASP 89 N -5.37 -4.25 0.02 4.20 2.03 -1.26 -4.83 116.55 107.08 3n1q n ASP 89 Ca -0.02 -1.14 0.10 0.00 0.52 0.00 0.00 54.79 54.25 3n1q n ASP 89 Cb 0.34 -2.61 0.43 0.00 -0.72 0.00 0.00 41.12 38.55 3n1q n ASP 89 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 3n1q n GLU 90 N -4.57 0.03 0.04 -0.67 0.00 -1.26 -2.44 120.64 111.77 3n1q n GLU 90 Ca -0.12 0.18 0.13 0.00 0.00 0.00 0.00 57.16 57.35 3n1q n GLU 90 Cb 0.59 -1.55 0.36 0.00 0.00 0.00 0.00 31.44 30.84 3n1q n GLU 90 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3n1q n GLU 91 N -1.60 0.13 -2.66 3.44 4.71 -1.26 -4.92 120.64 118.48 3n1q n GLU 91 Ca 0.05 0.07 -0.16 0.00 -0.01 0.00 0.00 57.16 57.10 3n1q n GLU 91 Cb 0.24 -1.61 -0.00 0.00 -1.01 0.00 0.00 31.44 29.06 3n1q n GLU 91 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3n1q n ASN 92 N -1.82 -4.30 -0.03 1.62 3.02 -1.02 -4.80 115.26 107.93 3n1q n ASN 92 Ca 0.05 0.02 -0.03 0.00 -0.03 0.00 0.00 54.58 54.59 3n1q n ASN 92 Cb 0.38 -3.60 -0.03 0.00 -0.61 0.00 0.00 39.78 35.92 3n1q n ASN 92 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3n1q n SER 93 N -1.99 3.71 0.00 6.41 3.41 -1.26 -5.03 113.62 118.87 3n1q n SER 93 Ca -0.13 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 3n1q n SER 93 Cb 0.61 0.32 0.00 0.00 -0.26 0.00 0.00 64.21 64.87 3n1q n SER 93 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3n1q n GLY 94 N 2.92 0.99 0.24 5.00 0.00 -1.26 -4.99 105.19 108.08 3n1q n GLY 94 Ca -0.09 -0.11 0.06 0.00 0.00 0.00 0.00 46.02 45.89 3n1q n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n1q h ALA 95 N 0.00 1.77 -0.01 4.61 0.00 -1.96 -2.96 119.26 120.71 3n1q h ALA 95 Ca 0.00 -0.12 -0.21 0.00 0.00 0.00 0.00 54.91 54.58 3n1q h ALA 95 Cb 0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3n1q h ALA 95 CO 0.00 0.16 -0.88 -0.44 0.00 0.00 0.00 179.25 178.09 3n1q h ASP 96 N 0.00 0.44 0.82 0.00 3.32 -1.92 -2.45 116.42 116.63 3n1q h ASP 96 Ca -0.00 -0.34 -0.02 0.00 0.02 0.00 0.00 57.03 56.69 3n1q h ASP 96 Cb 0.23 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 3n1q h ASP 96 CO 0.02 1.13 -0.08 0.03 -1.72 0.00 0.00 179.24 178.62 3n1q h ARG 97 N 0.20 0.00 -6.41 3.56 3.08 -1.80 -3.38 114.38 109.63 3n1q h ARG 97 Ca -0.06 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.45 3n1q h ARG 97 Cb 1.51 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.55 3n1q h ARG 97 CO 0.15 0.08 0.54 -0.51 -1.07 0.00 0.00 179.97 179.16 3n1q s LEU 98 N -6.50 4.34 0.04 3.04 1.43 -1.16 0.29 118.68 120.15 3n1q s LEU 98 Ca -0.00 1.86 -0.27 0.00 -1.03 0.00 0.00 54.13 54.68 3n1q s LEU 98 Cb 0.10 -3.57 0.09 0.00 0.03 0.00 0.00 46.19 42.84 3n1q s LEU 98 CO 0.57 -0.44 0.82 0.00 0.23 0.00 0.00 176.35 177.53 3n1q s MET 99 N 1.36 0.95 0.90 1.70 0.23 -1.23 -2.84 119.30 120.38 3n1q s MET 99 Ca 0.56 -0.36 -0.11 0.00 -1.03 0.00 0.00 55.69 54.75 3n1q s MET 99 Cb -0.26 0.43 0.13 0.00 -1.53 0.00 0.00 34.83 33.60 3n1q s MET 99 CO 0.27 -0.42 1.10 0.95 -2.03 0.00 0.00 175.02 174.89 3n1q s THR 100 N -3.27 2.61 0.13 3.16 -4.23 0.09 -2.92 115.64 111.20 3n1q s THR 100 Ca 0.04 0.20 -0.18 0.00 -1.18 0.00 0.00 61.69 60.57 3n1q s THR 100 Cb -0.01 -2.50 -0.03 0.00 1.34 0.00 0.00 72.50 71.30 3n1q s THR 100 CO -0.09 -0.26 1.78 -0.08 -0.54 0.00 0.00 174.62 175.43 3n1q h GLU 101 N -1.65 0.40 -0.77 3.99 4.81 -1.91 -2.10 114.58 117.35 3n1q h GLU 101 Ca -0.48 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 58.76 3n1q h GLU 101 Cb 1.27 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.52 3n1q h GLU 101 CO 0.50 0.28 0.51 -0.09 -0.73 0.00 0.00 179.01 179.47 3n1q h ARG 102 N 0.40 0.93 0.26 1.92 2.43 -1.92 -2.29 114.38 116.10 3n1q h ARG 102 Ca 0.11 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3n1q h ARG 102 Cb -0.03 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.30 3n1q h ARG 102 CO -0.02 0.61 -0.23 0.00 -1.51 0.00 0.00 179.97 178.82 3n1q h LYS 104 N -0.51 -0.18 -0.89 0.00 1.57 -0.91 0.12 116.57 115.77 3n1q h LYS 104 Ca -0.01 0.01 0.24 0.00 -1.87 0.00 0.00 60.65 59.02 3n1q h LYS 104 Cb 0.46 0.04 -0.15 0.00 0.08 0.00 0.00 32.23 32.66 3n1q h LYS 104 CO -0.03 -0.12 0.16 0.93 -0.57 0.00 0.00 179.45 179.81 3n1q h GLU 105 N -0.19 0.12 0.31 3.15 4.39 -1.44 0.22 114.58 121.15 3n1q h GLU 105 Ca 0.06 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.74 3n1q h GLU 105 Cb 0.35 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 3n1q h GLU 105 CO -0.44 0.08 -0.15 -0.09 -1.16 0.00 0.00 179.01 177.25 3n1q h ARG 106 N 0.13 -0.41 -0.12 2.33 9.65 -0.71 -2.67 114.38 122.59 3n1q h ARG 106 Ca 0.56 0.03 0.02 0.00 -1.10 0.00 0.00 59.98 59.48 3n1q h ARG 106 Cb 1.13 0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 29.78 3n1q h ARG 106 CO -0.73 -0.09 -0.00 0.28 2.80 0.00 0.00 179.97 182.23 3n1q h VAL 107 N -0.76 0.92 -0.89 0.20 2.07 0.23 -1.28 116.25 116.73 3n1q h VAL 107 Ca -0.04 -0.01 0.19 0.00 0.82 0.00 0.00 66.70 67.66 3n1q h VAL 107 Cb 0.50 0.87 -0.07 0.00 -1.52 0.00 0.00 31.29 31.08 3n1q h VAL 107 CO 0.07 0.01 0.59 0.78 0.02 0.00 0.00 177.57 179.04 3n1q h ASN 108 N 0.04 0.44 -0.14 0.57 2.35 -0.67 0.73 115.58 118.91 3n1q h ASN 108 Ca 0.06 0.04 -0.06 0.00 -0.55 0.00 0.00 56.30 55.79 3n1q h ASN 108 Cb 0.07 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 38.40 3n1q h ASN 108 CO -0.10 0.18 -0.15 0.00 -1.65 0.00 0.00 177.43 175.72 3n1q h ALA 109 N 1.61 0.20 -0.34 -0.83 0.00 -0.95 -2.83 119.26 116.13 3n1q h ALA 109 Ca 0.46 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 3n1q h ALA 109 Cb 1.10 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 3n1q h ALA 109 CO -0.18 0.09 -0.03 1.25 0.00 0.00 0.00 179.25 180.38 3n1q h LEU 110 N -0.04 0.50 -0.69 0.00 5.85 0.06 -1.56 115.31 119.43 3n1q h LEU 110 Ca 0.02 -0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.66 3n1q h LEU 110 Cb 0.69 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.54 3n1q h LEU 110 CO 0.04 0.59 0.44 0.00 -0.34 0.00 0.00 178.44 179.17 3n1q h ALA 111 N 1.47 0.89 0.06 1.25 0.00 0.46 0.09 119.26 123.48 3n1q h ALA 111 Ca 0.11 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3n1q h ALA 111 Cb 0.37 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3n1q h ALA 111 CO 0.01 0.24 -0.03 0.82 0.00 0.00 0.00 179.25 180.30 3n1q h ILE 112 N 0.88 1.18 -0.78 0.00 2.04 -1.24 -3.01 117.51 116.58 3n1q h ILE 112 Ca 0.27 -0.82 0.18 0.00 1.00 0.00 0.00 64.86 65.49 3n1q h ILE 112 Cb -0.03 1.72 -0.05 0.00 -0.74 0.00 0.00 36.82 37.71 3n1q h ILE 112 CO -0.09 0.20 0.53 0.00 0.00 0.00 0.00 178.15 178.80 3n1q h ALA 113 N 0.47 2.27 -0.13 1.87 0.00 -0.91 -0.04 119.26 122.78 3n1q h ALA 113 Ca -0.01 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3n1q h ALA 113 Cb 0.39 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3n1q h ALA 113 CO 0.01 -0.50 -0.07 0.28 0.00 0.00 0.00 179.25 178.98 3n1q h VAL 114 N 0.31 1.32 -0.09 0.00 2.07 -0.95 -2.50 116.25 116.41 3n1q h VAL 114 Ca 0.39 -1.11 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 3n1q h VAL 114 Cb 1.06 1.77 -0.00 0.00 -1.52 0.00 0.00 31.29 32.59 3n1q h VAL 114 CO -0.11 0.32 0.03 0.24 0.02 0.00 0.00 177.57 178.08 3n1q h MET 115 N -0.06 0.14 -0.11 1.57 2.86 -1.00 -0.60 114.93 117.73 3n1q h MET 115 Ca 0.03 -0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.67 3n1q h MET 115 Cb 0.53 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.17 3n1q h MET 115 CO 0.02 0.28 0.12 -0.91 1.06 0.00 0.00 176.91 177.48 3n1q h ASN 116 N -0.02 0.00 0.00 1.22 4.21 -1.14 -3.20 115.58 116.65 3n1q h ASN 116 Ca 0.03 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.54 3n1q h ASN 116 Cb 0.19 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.39 3n1q h ASN 116 CO -0.00 0.00 0.00 0.80 -1.29 0.00 0.00 177.43 176.94 3n1q n MET 117 N -3.82 0.00 -3.62 0.81 1.56 -0.81 -4.77 117.12 106.47 3n1q n MET 117 Ca -0.00 0.40 -0.40 0.00 -0.27 0.00 0.00 57.70 57.43 3n1q n MET 117 Cb 0.23 -0.91 -0.11 0.00 2.15 0.00 0.00 33.22 34.57 3n1q n MET 117 CO 0.00 0.00 0.00 -1.58 -0.73 0.00 0.00 175.97 173.66 3n1q s TRP 118 N -0.83 3.25 0.38 1.12 0.51 -0.30 -5.11 118.94 117.96 3n1q s TRP 118 Ca 0.00 -1.06 -0.28 0.00 -2.12 0.00 0.00 56.10 52.64 3n1q s TRP 118 Cb 0.00 -2.42 -0.11 0.00 -0.81 0.00 0.00 33.47 30.13 3n1q s TRP 118 CO 0.00 -0.67 1.49 -2.14 -0.51 0.00 0.00 176.95 175.12 3n1q s PRO 119 N 1.53 4.11 0.00 4.98 0.02 -1.23 -1.95 135.00 142.45 3n1q s PRO 119 Ca 0.01 2.57 0.00 0.00 0.02 0.00 0.00 61.00 63.61 3n1q s PRO 119 Cb -0.19 -2.97 0.00 0.00 0.02 0.00 0.00 34.50 31.36 3n1q s PRO 119 CO 0.06 -0.54 0.00 0.41 -0.33 0.00 0.00 177.00 176.60 3n1q n GLY 120 N 0.49 2.54 3.81 0.52 0.00 -1.26 -5.01 105.19 106.28 3n1q n GLY 120 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 3n1q n GLY 120 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3n1q s VAL 121 N -3.04 4.76 0.01 1.61 1.01 -0.82 -5.03 120.40 118.90 3n1q s VAL 121 Ca 0.00 -0.63 -0.02 0.00 0.00 0.00 0.00 61.98 61.33 3n1q s VAL 121 Cb 0.00 -3.29 -0.01 0.00 0.00 0.00 0.00 36.38 33.08 3n1q s VAL 121 CO 0.00 0.16 0.01 -0.13 0.00 0.00 0.00 175.10 175.14 3n1q s ARG 122 N -2.34 0.32 0.54 2.72 0.52 -1.26 -3.99 118.95 115.46 3n1q s ARG 122 Ca 0.30 -0.49 -0.22 0.00 -0.52 0.00 0.00 55.73 54.80 3n1q s ARG 122 Cb -0.12 0.12 -0.05 0.00 0.52 0.00 0.00 34.95 35.41 3n1q s ARG 122 CO 0.22 -0.06 1.30 -0.11 0.02 0.00 0.00 175.30 176.67 3n1q n LEU 123 N 1.73 5.15 -4.00 2.53 7.94 -1.25 -1.62 117.00 127.48 3n1q n LEU 123 Ca -0.22 0.96 -0.22 0.00 -1.11 0.00 0.00 56.01 55.42 3n1q n LEU 123 Cb 0.56 -1.54 -0.16 0.00 0.53 0.00 0.00 43.42 42.80 3n1q n LEU 123 CO 0.21 -0.77 -0.45 -0.60 -1.11 0.00 0.00 177.39 174.67 3n1q s ARG 124 N -2.82 1.25 -0.18 1.96 3.52 -0.20 -0.92 118.95 121.56 3n1q s ARG 124 Ca 0.72 -0.33 -0.04 0.00 -0.13 0.00 0.00 55.73 55.95 3n1q s ARG 124 Cb -0.43 -1.11 -0.02 0.00 -1.56 0.00 0.00 34.95 31.83 3n1q s ARG 124 CO 0.49 0.06 -0.04 0.08 -0.81 0.00 0.00 175.30 175.09 3n1q s VAL 125 N 0.46 3.69 -0.76 7.11 1.01 0.87 -0.78 120.40 132.00 3n1q s VAL 125 Ca -0.09 -0.41 0.14 0.00 0.00 0.00 0.00 61.98 61.63 3n1q s VAL 125 Cb -0.12 -2.64 -0.14 0.00 0.00 0.00 0.00 36.38 33.48 3n1q s VAL 125 CO 0.02 0.46 0.63 0.35 0.00 0.00 0.00 175.10 176.56 3n1q n THR 126 N 4.00 0.00 -3.53 3.92 -2.24 0.11 -1.44 114.28 115.10 3n1q n THR 126 Ca -0.18 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 3n1q n THR 126 Cb 0.52 1.02 -0.03 0.00 -2.10 0.00 0.00 70.33 69.74 3n1q n THR 126 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3n1q s GLU 127 N -2.28 0.54 0.00 -0.78 0.41 -1.23 -4.84 118.70 110.51 3n1q s GLU 127 Ca 0.06 1.28 0.00 0.00 -0.41 0.00 0.00 54.97 55.90 3n1q s GLU 127 Cb 0.11 0.76 0.00 0.00 -1.78 0.00 0.00 34.13 33.22 3n1q s GLU 127 CO 0.56 -0.26 0.00 0.41 -0.49 0.00 0.00 175.26 175.48 3n1q n GLY 128 N 5.40 0.94 3.68 -1.39 0.00 -1.26 -1.40 105.19 111.15 3n1q n GLY 128 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 3n1q n GLY 128 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3n1q s TRP 129 N 2.75 2.79 0.06 1.61 -0.00 -0.93 -4.73 118.94 120.50 3n1q s TRP 129 Ca 0.00 0.86 0.03 0.00 -0.00 0.00 0.00 56.10 56.99 3n1q s TRP 129 Cb 0.00 -3.61 -0.04 0.00 -0.00 0.00 0.00 33.47 29.82 3n1q s TRP 129 CO 0.00 -2.23 0.04 0.34 -0.00 0.00 0.00 176.95 175.10 3n1q s ASP 130 N 2.03 5.31 0.00 5.86 2.15 -0.84 -4.32 116.67 126.85 3n1q s ASP 130 Ca 0.61 -0.05 0.00 0.00 0.43 0.00 0.00 52.55 53.54 3n1q s ASP 130 Cb -0.28 -1.38 0.00 0.00 -0.30 0.00 0.00 42.92 40.97 3n1q s ASP 130 CO 0.23 0.20 0.28 -1.84 -0.17 0.00 0.00 175.17 173.86 3n1q n GLU 131 N 0.69 0.00 0.05 4.34 0.28 -1.26 -4.60 120.64 120.14 3n1q n GLU 131 Ca -0.10 -0.28 -0.07 0.00 -0.16 0.00 0.00 57.16 56.55 3n1q n GLU 131 Cb 0.52 -0.46 -0.12 0.00 1.43 0.00 0.00 31.44 32.81 3n1q n GLU 131 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 3n1q h ASP 132 N 0.00 0.01 0.00 -1.84 3.32 -2.02 -3.49 116.42 112.40 3n1q h ASP 132 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3n1q h ASP 132 Cb 0.80 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.35 3n1q h ASP 132 CO 0.00 1.01 0.00 0.61 -1.72 0.00 0.00 179.24 179.14 3n1q n GLY 133 N 1.39 0.47 0.49 2.75 0.00 -1.26 -4.95 105.19 104.08 3n1q n GLY 133 Ca -0.03 -0.85 0.13 0.00 0.00 0.00 0.00 46.02 45.27 3n1q n GLY 133 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3n1q n HIS 134 N -3.69 0.00 -3.24 1.61 1.44 -1.26 -4.90 115.22 105.19 3n1q n HIS 134 Ca 0.00 0.00 -0.34 0.00 -2.01 0.00 0.00 57.72 55.37 3n1q n HIS 134 Cb 0.41 -0.04 -0.06 0.00 0.12 0.00 0.00 29.99 30.42 3n1q n HIS 134 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 3n1q s HIS 135 N -2.23 3.54 0.92 -1.40 3.76 -1.26 -5.04 115.29 113.58 3n1q s HIS 135 Ca 0.29 1.17 -0.12 0.00 -0.15 0.00 0.00 55.06 56.25 3n1q s HIS 135 Cb 0.20 -2.47 0.07 0.00 1.11 0.00 0.00 32.58 31.49 3n1q s HIS 135 CO 0.42 0.30 0.70 0.00 -0.85 0.00 0.00 174.74 175.32 3n1q n ALA 136 N 0.38 -1.80 -1.67 -1.40 0.00 -1.26 -4.82 120.51 109.94 3n1q n ALA 136 Ca -0.02 -0.56 -0.44 0.00 0.00 0.00 0.00 53.44 52.43 3n1q n ALA 136 Cb 0.52 -1.96 -0.02 0.00 0.00 0.00 0.00 19.45 17.99 3n1q n ALA 136 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3n1q n GLN 137 N -2.58 1.97 -2.68 0.00 6.02 -1.26 -1.96 117.38 116.90 3n1q n GLN 137 Ca 0.09 0.70 -0.19 0.00 -0.01 0.00 0.00 57.00 57.59 3n1q n GLN 137 Cb 0.53 -2.30 0.02 0.00 1.02 0.00 0.00 30.24 29.50 3n1q n GLN 137 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3n1q n ASP 138 N 1.70 -5.39 -4.77 1.08 8.00 -1.26 -4.99 116.55 110.92 3n1q n ASP 138 Ca 0.10 -0.15 -0.38 0.00 0.71 0.00 0.00 54.79 55.06 3n1q n ASP 138 Cb 0.32 -4.32 -0.04 0.00 -0.02 0.00 0.00 41.12 37.06 3n1q n ASP 138 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3n1q s SER 139 N -2.52 6.86 0.13 -2.24 0.15 -0.83 -4.83 113.70 110.42 3n1q s SER 139 Ca 0.15 2.16 0.20 0.00 0.70 0.00 0.00 55.95 59.16 3n1q s SER 139 Cb -0.07 -2.60 0.83 0.00 -1.71 0.00 0.00 66.02 62.47 3n1q s SER 139 CO 0.19 -0.42 1.63 0.18 1.20 0.00 0.00 173.24 176.02 3n1q n LEU 140 N 0.32 0.35 0.03 3.45 4.77 -1.26 -2.43 117.00 122.23 3n1q n LEU 140 Ca 0.03 0.58 0.01 0.00 -0.03 0.00 0.00 56.01 56.60 3n1q n LEU 140 Cb 0.48 -0.52 0.35 0.00 -2.33 0.00 0.00 43.42 41.40 3n1q n LEU 140 CO 0.48 -0.37 0.98 0.45 -1.33 0.00 0.00 177.39 177.61 3n1q h HIS 141 N 0.00 0.47 0.00 -1.77 3.86 -1.85 -1.90 115.15 113.96 3n1q h HIS 141 Ca 0.00 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 3n1q h HIS 141 Cb 0.35 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.68 3n1q h HIS 141 CO 0.00 0.45 0.00 0.66 0.86 0.00 0.00 177.93 179.90 3n1q n TYR 142 N -4.33 0.00 -2.59 2.45 4.01 -1.02 -1.99 117.16 113.70 3n1q n TYR 142 Ca 0.01 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.77 3n1q n TYR 142 Cb 0.21 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.27 3n1q n TYR 142 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 3n1q n GLU 143 N -0.97 0.82 -3.94 -0.72 0.28 -1.01 -1.14 120.64 113.97 3n1q n GLU 143 Ca 0.13 -2.69 -0.31 0.00 -0.16 0.00 0.00 57.16 54.13 3n1q n GLU 143 Cb 0.06 -0.74 0.01 0.00 1.43 0.00 0.00 31.44 32.19 3n1q n GLU 143 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3n1q n GLY 144 N -0.02 -0.48 0.02 -1.84 0.00 -1.06 -4.63 105.19 97.18 3n1q n GLY 144 Ca 0.08 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.26 3n1q n GLY 144 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3n1q n ARG 145 N -4.46 -0.17 -4.12 1.61 1.74 -0.75 -0.73 116.66 109.77 3n1q n ARG 145 Ca 0.05 -0.48 -0.16 0.00 -0.77 0.00 0.00 57.85 56.49 3n1q n ARG 145 Cb 0.52 -0.96 -0.12 0.00 -1.02 0.00 0.00 32.46 30.88 3n1q n ARG 145 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3n1q s ALA 146 N -0.14 0.88 0.02 7.54 0.00 -1.18 -1.54 121.76 127.34 3n1q s ALA 146 Ca 0.01 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.09 3n1q s ALA 146 Cb 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.08 3n1q s ALA 146 CO 0.01 0.08 -0.03 -0.51 0.00 0.00 0.00 175.76 175.30 3n1q s LEU 147 N -1.65 2.15 -0.38 0.00 1.43 0.76 -4.42 118.68 116.58 3n1q s LEU 147 Ca -0.06 -0.32 -0.10 0.00 -1.03 0.00 0.00 54.13 52.63 3n1q s LEU 147 Cb -0.10 -0.01 0.04 0.00 0.03 0.00 0.00 46.19 46.15 3n1q s LEU 147 CO 0.01 -0.16 0.20 -1.81 0.23 0.00 0.00 176.35 174.83 3n1q s ASP 148 N -0.91 5.62 0.09 2.29 1.01 -0.49 -1.24 116.67 123.04 3n1q s ASP 148 Ca -0.08 -1.16 0.05 0.00 0.71 0.00 0.00 52.55 52.07 3n1q s ASP 148 Cb -0.06 -1.98 -0.04 0.00 1.01 0.00 0.00 42.92 41.85 3n1q s ASP 148 CO -0.00 -0.41 -0.04 0.27 0.21 0.00 0.00 175.17 175.20 3n1q s ILE 149 N 1.49 3.79 0.34 0.77 -4.36 -0.28 0.05 121.20 123.00 3n1q s ILE 149 Ca 0.01 -1.05 0.05 0.00 -0.26 0.00 0.00 60.65 59.40 3n1q s ILE 149 Cb -0.20 -2.78 -0.02 0.00 1.25 0.00 0.00 42.46 40.71 3n1q s ILE 149 CO 0.05 0.14 0.35 0.35 0.24 0.00 0.00 174.94 176.07 3n1q n THR 150 N 0.70 0.00 -3.55 8.37 -2.24 0.04 -1.41 114.28 116.18 3n1q n THR 150 Ca -0.12 -2.23 -0.33 0.00 -2.27 0.00 0.00 64.05 59.10 3n1q n THR 150 Cb 0.52 1.18 -0.05 0.00 -2.10 0.00 0.00 70.33 69.88 3n1q n THR 150 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3n1q s THR 151 N -3.18 5.06 0.66 4.28 -4.23 -1.26 -1.04 115.64 115.93 3n1q s THR 151 Ca 0.37 0.34 0.37 0.00 -1.18 0.00 0.00 61.69 61.59 3n1q s THR 151 Cb 0.01 -3.64 0.38 0.00 1.34 0.00 0.00 72.50 70.59 3n1q s THR 151 CO 0.26 0.10 2.15 0.77 -0.54 0.00 0.00 174.62 177.36 3n1q h SER 152 N 3.08 0.00 -0.16 3.99 4.64 -1.60 0.27 113.55 123.77 3n1q h SER 152 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3n1q h SER 152 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3n1q h SER 152 CO 0.69 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.75 3n1q n ASP 153 N -3.02 2.80 -2.29 4.97 5.68 -1.26 -4.94 116.55 118.48 3n1q n ASP 153 Ca -0.02 -1.90 -0.14 0.00 -0.50 0.00 0.00 54.79 52.22 3n1q n ASP 153 Cb 0.23 -0.09 -0.01 0.00 -1.14 0.00 0.00 41.12 40.10 3n1q n ASP 153 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3n1q n ARG 154 N 1.12 -1.99 -2.28 0.11 3.00 0.95 -4.88 116.66 112.69 3n1q n ARG 154 Ca 0.17 0.72 -0.41 0.00 -0.01 0.00 0.00 57.85 58.31 3n1q n ARG 154 Cb 0.54 -5.29 -0.03 0.00 0.00 0.00 0.00 32.46 27.69 3n1q n ARG 154 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 3n1q s ASP 155 N -2.06 5.95 0.52 0.55 2.15 -1.26 -4.86 116.67 117.66 3n1q s ASP 155 Ca 0.00 0.43 0.23 0.00 0.43 0.00 0.00 52.55 53.64 3n1q s ASP 155 Cb 0.00 -2.54 1.34 0.00 -0.30 0.00 0.00 42.92 41.42 3n1q s ASP 155 CO 0.00 -1.82 2.01 -0.09 -0.17 0.00 0.00 175.17 175.10 3n1q h ARG 156 N 11.97 0.04 0.00 4.34 9.65 -1.91 -1.06 114.38 137.42 3n1q h ARG 156 Ca -0.28 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.60 3n1q h ARG 156 Cb 1.11 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.68 3n1q h ARG 156 CO 1.16 0.03 0.00 0.09 2.80 0.00 0.00 179.97 184.05 3n1q n ASN 157 N -4.41 0.11 -0.41 -3.80 3.02 -1.26 -2.93 115.26 105.58 3n1q n ASN 157 Ca 0.09 0.52 0.11 0.00 -0.03 0.00 0.00 54.58 55.27 3n1q n ASN 157 Cb 0.53 -0.55 0.01 0.00 -0.61 0.00 0.00 39.78 39.16 3n1q n ASN 157 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3n1q n LYS 158 N -1.62 1.00 -0.00 3.52 5.02 -0.40 -4.53 118.16 121.16 3n1q n LYS 158 Ca 0.04 -0.82 -0.09 0.00 -2.02 0.00 0.00 58.31 55.42 3n1q n LYS 158 Cb 0.20 -1.48 0.06 0.00 -0.02 0.00 0.00 35.03 33.79 3n1q n LYS 158 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 3n1q h TYR 159 N 1.99 0.71 -0.65 2.13 0.05 -1.65 0.94 116.97 120.49 3n1q h TYR 159 Ca 0.00 -0.24 0.00 0.00 0.05 0.00 0.00 58.73 58.54 3n1q h TYR 159 Cb 0.70 -0.14 -0.03 0.00 1.01 0.00 0.00 36.73 38.27 3n1q h TYR 159 CO 0.00 0.97 0.42 0.78 -1.05 0.00 0.00 178.16 179.28 3n1q h GLY 160 N 1.04 0.92 1.55 3.88 0.00 -1.80 0.14 103.07 108.80 3n1q h GLY 160 Ca 0.02 -0.35 -0.17 0.00 0.00 0.00 0.00 47.33 46.82 3n1q h GLY 160 CO 0.10 0.35 -0.63 1.41 0.00 0.00 0.00 176.54 177.76 3n1q h LEU 161 N 0.88 0.53 -0.16 3.11 3.38 -1.81 -1.94 115.31 119.30 3n1q h LEU 161 Ca 0.24 -0.31 0.02 0.00 0.09 0.00 0.00 57.88 57.91 3n1q h LEU 161 Cb -0.09 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 3n1q h LEU 161 CO -0.05 1.03 0.04 0.25 0.09 0.00 0.00 178.44 179.80 3n1q h LEU 162 N 0.34 0.04 -0.58 1.67 5.85 -0.31 -0.97 115.31 121.35 3n1q h LEU 162 Ca -0.01 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.80 3n1q h LEU 162 Cb 1.19 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 42.18 3n1q h LEU 162 CO 0.11 0.05 0.26 0.00 -0.34 0.00 0.00 178.44 178.52 3n1q h ALA 163 N 1.11 0.74 -0.74 1.25 0.00 -0.68 -0.71 119.26 120.24 3n1q h ALA 163 Ca 0.07 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3n1q h ALA 163 Cb 0.05 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3n1q h ALA 163 CO -0.08 -0.12 0.34 -0.09 0.00 0.00 0.00 179.25 179.29 3n1q h ARG 164 N 0.48 1.07 0.00 0.00 9.65 -1.24 -1.39 114.38 122.94 3n1q h ARG 164 Ca 0.27 -0.16 -0.03 0.00 -1.10 0.00 0.00 59.98 58.96 3n1q h ARG 164 Cb 0.26 -0.19 -0.00 0.00 -1.39 0.00 0.00 29.97 28.65 3n1q h ARG 164 CO -0.23 0.84 -0.15 -0.07 2.80 0.00 0.00 179.97 183.15 3n1q h LEU 165 N 1.06 0.00 -1.03 3.80 3.38 0.12 -0.86 115.31 121.77 3n1q h LEU 165 Ca 0.25 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.13 3n1q h LEU 165 Cb 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3n1q h LEU 165 CO -0.03 0.15 -0.43 0.00 0.09 0.00 0.00 178.44 178.22 3n1q h ALA 166 N 1.85 1.10 0.13 1.53 0.00 -0.07 -0.29 119.26 123.52 3n1q h ALA 166 Ca -0.00 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 3n1q h ALA 166 Cb 0.27 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3n1q h ALA 166 CO 0.02 0.54 -0.06 0.28 0.00 0.00 0.00 179.25 180.03 3n1q h VAL 167 N 0.00 0.99 0.00 0.00 2.07 -0.77 -2.47 116.25 116.07 3n1q h VAL 167 Ca -0.00 -1.18 -0.01 0.00 0.82 0.00 0.00 66.70 66.33 3n1q h VAL 167 Cb 0.86 1.65 -0.00 0.00 -1.52 0.00 0.00 31.29 32.28 3n1q h VAL 167 CO 0.06 0.25 -0.03 -0.33 0.02 0.00 0.00 177.57 177.54 3n1q h GLU 168 N -0.80 0.00 0.00 1.57 4.39 -1.39 -0.56 114.58 117.78 3n1q h GLU 168 Ca -0.02 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.59 3n1q h GLU 168 Cb 0.55 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 3n1q h GLU 168 CO 0.03 0.03 -0.45 0.00 -1.16 0.00 0.00 179.01 177.45 3n1q h ALA 169 N 1.97 1.05 0.00 3.43 0.00 -0.95 -3.47 119.26 121.29 3n1q h ALA 169 Ca -0.00 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3n1q h ALA 169 Cb 0.13 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3n1q h ALA 169 CO 0.00 0.57 0.00 0.41 0.00 0.00 0.00 179.25 180.23 3n1q n GLY 170 N 0.10 1.24 3.65 0.00 0.00 -0.22 -4.78 105.19 105.18 3n1q n GLY 170 Ca -0.01 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.54 3n1q n GLY 170 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3n1q n PHE 171 N 0.00 2.09 0.48 1.61 3.72 -0.95 -4.84 117.46 119.58 3n1q n PHE 171 Ca 0.00 0.36 0.11 0.00 -0.05 0.00 0.00 57.45 57.87 3n1q n PHE 171 Cb 0.00 -2.49 0.44 0.00 -0.94 0.00 0.00 39.48 36.49 3n1q n PHE 171 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3n1q n ASP 172 N 3.23 0.48 -3.66 4.37 8.00 -0.76 -4.56 116.55 123.66 3n1q n ASP 172 Ca 0.17 0.60 -0.05 0.00 0.71 0.00 0.00 54.79 56.22 3n1q n ASP 172 Cb 0.26 -0.71 -0.07 0.00 -0.02 0.00 0.00 41.12 40.58 3n1q n ASP 172 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 3n1q s TRP 173 N -3.19 -1.04 -0.02 1.24 -0.00 -1.01 -3.95 118.94 110.96 3n1q s TRP 173 Ca 0.06 1.91 0.08 0.00 -0.00 0.00 0.00 56.10 58.15 3n1q s TRP 173 Cb 0.10 0.55 -0.02 0.00 -0.00 0.00 0.00 33.47 34.10 3n1q s TRP 173 CO 0.39 -0.55 -0.25 0.08 -0.00 0.00 0.00 176.95 176.61 3n1q s VAL 174 N 2.50 2.01 -0.18 5.86 1.01 0.18 -0.91 120.40 130.86 3n1q s VAL 174 Ca -0.05 -1.09 -0.07 0.00 0.00 0.00 0.00 61.98 60.77 3n1q s VAL 174 Cb -0.11 -1.67 0.08 0.00 0.00 0.00 0.00 36.38 34.68 3n1q s VAL 174 CO -0.16 0.57 0.39 -0.47 0.00 0.00 0.00 175.10 175.43 3n1q s TYR 175 N -0.57 -0.71 -1.00 5.22 5.04 0.81 -0.06 117.35 126.08 3n1q s TYR 175 Ca 0.09 1.40 -0.11 0.00 -2.44 0.00 0.00 57.07 56.01 3n1q s TYR 175 Cb -0.10 0.24 -0.07 0.00 0.35 0.00 0.00 41.96 42.37 3n1q s TYR 175 CO -0.01 -0.44 2.17 0.98 -1.34 0.00 0.00 175.55 176.91 3n1q n TYR 176 N 5.25 1.77 0.09 4.97 4.19 -0.90 0.46 117.16 132.99 3n1q n TYR 176 Ca -0.10 -2.13 -0.15 0.00 3.31 0.00 0.00 57.90 58.83 3n1q n TYR 176 Cb 0.50 -1.84 -0.09 0.00 0.49 0.00 0.00 39.34 38.40 3n1q n TYR 176 CO 0.00 0.00 0.00 1.49 0.91 0.00 0.00 176.86 179.26 3n1q h GLU 177 N 6.52 -0.64 -6.13 2.98 4.81 -1.89 -2.44 114.58 117.79 3n1q h GLU 177 Ca 0.53 0.04 -0.56 0.00 -0.13 0.00 0.00 59.36 59.24 3n1q h GLU 177 Cb 0.33 0.15 -0.18 0.00 0.63 0.00 0.00 28.75 29.68 3n1q h GLU 177 CO 1.65 -0.43 -0.80 0.45 -0.73 0.00 0.00 179.01 179.15 3n1q s SER 178 N -4.46 2.88 0.00 1.04 0.15 -0.87 -4.70 113.70 107.74 3n1q s SER 178 Ca -0.15 -0.85 0.09 0.00 0.70 0.00 0.00 55.95 55.74 3n1q s SER 178 Cb 0.06 -0.18 0.47 0.00 -1.71 0.00 0.00 66.02 64.66 3n1q s SER 178 CO 0.55 0.01 1.07 0.54 1.20 0.00 0.00 173.24 176.61 3n1q n ARG 179 N 0.33 0.19 0.00 5.44 1.74 -1.26 -1.73 116.66 121.37 3n1q n ARG 179 Ca -0.13 0.11 0.05 0.00 -0.77 0.00 0.00 57.85 57.11 3n1q n ARG 179 Cb 0.57 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.47 3n1q n ARG 179 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3n1q n ASN 180 N -1.16 0.72 -3.54 0.55 3.02 -1.26 -4.92 115.26 108.67 3n1q n ASN 180 Ca 0.05 -0.86 -0.09 0.00 -0.03 0.00 0.00 54.58 53.65 3n1q n ASN 180 Cb 0.05 0.82 -0.03 0.00 -0.61 0.00 0.00 39.78 40.01 3n1q n ASN 180 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 3n1q s HIS 181 N -1.73 -0.33 0.02 3.10 -3.43 -0.70 -4.86 115.29 107.35 3n1q s HIS 181 Ca 0.05 0.36 0.01 0.00 -0.80 0.00 0.00 55.06 54.68 3n1q s HIS 181 Cb 0.08 0.50 -0.04 0.00 -1.43 0.00 0.00 32.58 31.69 3n1q s HIS 181 CO 0.35 -0.44 0.04 0.08 -2.00 0.00 0.00 174.74 172.78 3n1q s VAL 182 N -2.30 4.40 -0.23 -5.38 1.01 -0.50 -2.05 120.40 115.35 3n1q s VAL 182 Ca 0.03 -0.59 -0.07 0.00 0.00 0.00 0.00 61.98 61.35 3n1q s VAL 182 Cb -0.01 -3.02 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 3n1q s VAL 182 CO -0.05 0.31 0.04 -2.28 0.00 0.00 0.00 175.10 173.13 3n1q s HIS 183 N -1.19 3.08 -0.03 5.22 2.46 0.17 -1.12 115.29 123.89 3n1q s HIS 183 Ca 0.23 -0.42 0.07 0.00 0.47 0.00 0.00 55.06 55.40 3n1q s HIS 183 Cb -0.12 -2.18 -0.01 0.00 -0.13 0.00 0.00 32.58 30.14 3n1q s HIS 183 CO 0.14 -0.30 -0.22 0.14 -2.47 0.00 0.00 174.74 172.03 3n1q s VAL 184 N 1.34 1.78 0.11 0.89 -7.23 -0.37 -0.14 120.40 116.78 3n1q s VAL 184 Ca 0.05 -0.95 -0.02 0.00 -1.81 0.00 0.00 61.98 59.25 3n1q s VAL 184 Cb -0.15 -1.49 -0.04 0.00 0.56 0.00 0.00 36.38 35.27 3n1q s VAL 184 CO 0.03 0.50 0.05 -0.94 -0.31 0.00 0.00 175.10 174.43 3n1q s SER 185 N -0.41 0.33 0.18 4.85 1.04 -0.09 -0.17 113.70 119.44 3n1q s SER 185 Ca 0.05 -1.09 0.03 0.00 0.48 0.00 0.00 55.95 55.42 3n1q s SER 185 Cb -0.10 0.28 -0.05 0.00 0.10 0.00 0.00 66.02 66.26 3n1q s SER 185 CO 0.00 -0.70 -0.02 0.68 0.98 0.00 0.00 173.24 174.18 3n1q s VAL 186 N -3.99 0.85 1.00 5.02 -7.23 -0.59 -1.83 120.40 113.63 3n1q s VAL 186 Ca 0.17 -2.01 -0.12 0.00 -1.81 0.00 0.00 61.98 58.22 3n1q s VAL 186 Cb 0.07 -2.12 0.19 0.00 0.56 0.00 0.00 36.38 35.08 3n1q s VAL 186 CO -0.03 -0.49 1.08 -0.54 -0.31 0.00 0.00 175.10 174.81 3n1q s LYS 187 N -3.87 0.38 1.04 4.82 1.02 -1.25 -4.80 119.74 117.08 3n1q s LYS 187 Ca 0.24 0.89 -0.14 0.00 0.02 0.00 0.00 55.97 56.97 3n1q s LYS 187 Cb 0.05 -1.70 0.21 0.00 -0.52 0.00 0.00 37.83 35.87 3n1q s LYS 187 CO 0.04 -2.86 1.12 0.00 -0.92 0.00 0.00 175.35 172.73 3n1q s ALA 188 N -2.74 1.03 -2.53 5.17 0.00 -1.26 -4.91 121.76 116.52 3n1q s ALA 188 Ca 0.66 -0.61 0.20 0.00 0.00 0.00 0.00 51.96 52.21 3n1q s ALA 188 Cb -0.21 -3.02 0.16 0.00 0.00 0.00 0.00 23.12 20.05 3n1q s ALA 188 CO 0.60 -2.96 1.14 -0.25 0.00 0.00 0.00 175.76 174.29