#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n1q n LEU 40 N 0.00 8.09 -4.53 1.08 4.77 -1.26 -4.91 117.00 120.24 3n1q n LEU 40 Ca 0.00 -4.29 -0.42 0.00 -0.03 0.00 0.00 56.01 51.27 3n1q n LEU 40 Cb 0.00 -1.60 -0.08 0.00 -2.33 0.00 0.00 43.42 39.42 3n1q n LEU 40 CO 0.00 1.72 0.25 0.54 -1.33 0.00 0.00 177.39 178.58 3n1q s VAL 41 N 2.55 4.97 0.92 4.08 0.11 -1.26 -5.06 120.40 126.70 3n1q s VAL 41 Ca 0.62 0.09 -0.13 0.00 -2.93 0.00 0.00 61.98 59.63 3n1q s VAL 41 Cb 0.17 -4.07 0.03 0.00 -1.53 0.00 0.00 36.38 30.98 3n1q s VAL 41 CO -0.07 -0.40 0.46 -2.65 -3.33 0.00 0.00 175.10 169.11 3n1q n PRO 42 N 5.89 -0.20 -2.80 1.54 -0.02 -1.26 -4.78 135.00 133.36 3n1q n PRO 42 Ca -0.04 -0.01 -0.26 0.00 -2.02 0.00 0.00 63.50 61.16 3n1q n PRO 42 Cb 0.48 -1.88 -0.00 0.00 -0.02 0.00 0.00 33.50 32.08 3n1q n PRO 42 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3n1q s LEU 43 N -1.21 3.69 0.30 2.45 1.43 0.00 -4.93 118.68 120.41 3n1q s LEU 43 Ca 0.59 0.78 0.03 0.00 -1.03 0.00 0.00 54.13 54.49 3n1q s LEU 43 Cb -0.23 -3.71 -0.03 0.00 0.03 0.00 0.00 46.19 42.25 3n1q s LEU 43 CO 0.66 -0.55 0.46 -0.76 0.23 0.00 0.00 176.35 176.38 3n1q s LEU 44 N -4.66 4.16 0.23 1.79 1.43 -1.26 -4.61 118.68 115.76 3n1q s LEU 44 Ca 0.46 0.27 -0.32 0.00 -1.03 0.00 0.00 54.13 53.51 3n1q s LEU 44 Cb -0.10 -3.10 -0.12 0.00 0.03 0.00 0.00 46.19 42.90 3n1q s LEU 44 CO 0.43 -0.19 1.61 0.00 0.23 0.00 0.00 176.35 178.43 3n1q n TYR 45 N -1.61 2.61 -1.05 0.29 9.36 -1.26 -1.42 117.16 124.08 3n1q n TYR 45 Ca -0.07 0.21 -0.02 0.00 3.32 0.00 0.00 57.90 61.34 3n1q n TYR 45 Cb 0.57 -2.59 -0.01 0.00 -0.63 0.00 0.00 39.34 36.67 3n1q n TYR 45 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3n1q n LYS 46 N 3.02 -0.96 -2.99 2.98 4.76 -0.48 -5.00 118.16 119.48 3n1q n LYS 46 Ca 0.13 0.34 -0.28 0.00 -2.87 0.00 0.00 58.31 55.64 3n1q n LYS 46 Cb 0.34 -4.13 -0.02 0.00 -1.84 0.00 0.00 35.03 29.38 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 -1.29 3.62 -0.07 1.97 0.74 -0.51 -4.84 119.66 119.28 3n1q s GLN 47 Ca 0.00 0.14 -0.06 0.00 0.05 0.00 0.00 55.36 55.49 3n1q s GLN 47 Cb 0.00 -2.50 0.02 0.00 1.10 0.00 0.00 33.01 31.64 3n1q s GLN 47 CO 0.00 0.01 0.19 -0.59 -0.55 0.00 0.00 175.29 174.34 3n1q s PHE 48 N -2.40 -0.21 -0.09 1.67 -0.71 -1.26 -0.98 117.98 114.00 3n1q s PHE 48 Ca 0.46 0.52 0.02 0.00 -1.04 0.00 0.00 56.93 56.89 3n1q s PHE 48 Cb -0.10 0.05 0.02 0.00 -1.21 0.00 0.00 43.02 41.77 3n1q s PHE 48 CO 0.36 -0.12 -0.13 0.08 -1.34 0.00 0.00 175.22 174.07 3n1q s VAL 49 N 0.36 1.25 0.94 -2.49 1.01 -0.17 -2.84 120.40 118.47 3n1q s VAL 49 Ca -0.02 -0.51 -0.11 0.00 0.00 0.00 0.00 61.98 61.33 3n1q s VAL 49 Cb -0.04 -1.16 0.16 0.00 0.00 0.00 0.00 36.38 35.34 3n1q s VAL 49 CO -0.02 0.39 1.09 -2.16 0.00 0.00 0.00 175.10 174.40 3n1q s PRO 50 N 0.93 0.84 0.00 2.72 0.04 -1.26 -1.50 135.00 136.77 3n1q s PRO 50 Ca -0.09 1.01 -0.00 0.00 0.04 0.00 0.00 61.00 61.96 3n1q s PRO 50 Cb -0.15 -1.75 -0.02 0.00 0.04 0.00 0.00 34.50 32.62 3n1q s PRO 50 CO 0.00 -2.58 2.03 0.41 0.04 0.00 0.00 177.00 176.90 3n1q n GLY 51 N -0.46 2.45 3.36 0.56 0.00 -1.13 -4.80 105.19 105.18 3n1q n GLY 51 Ca 0.07 -0.08 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 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 0.16 1.70 0.49 1.61 -7.23 -1.26 -5.08 120.40 110.79 3n1q s VAL 52 Ca 0.05 -2.19 -0.21 0.00 -1.81 0.00 0.00 61.98 57.82 3n1q s VAL 52 Cb 0.02 -2.15 -0.10 0.00 0.56 0.00 0.00 36.38 34.72 3n1q s VAL 52 CO 0.00 -0.52 0.71 -2.65 -0.31 0.00 0.00 175.10 172.34 3n1q n PRO 53 N -0.43 0.80 0.25 4.82 -0.02 -1.26 -4.83 135.00 134.33 3n1q n PRO 53 Ca -0.07 0.30 0.15 0.00 -2.02 0.00 0.00 63.50 61.86 3n1q n PRO 53 Cb 0.61 -1.79 0.85 0.00 -0.02 0.00 0.00 33.50 33.15 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 0.80 0.00 -0.27 -0.52 4.81 -1.96 -2.32 114.58 115.12 3n1q h GLU 54 Ca -0.44 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.78 3n1q h GLU 54 Cb 1.38 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.75 3n1q h GLU 54 CO 0.52 0.00 0.00 0.54 -0.73 0.00 0.00 179.01 179.34 3n1q n ARG 55 N -3.92 2.84 -2.15 1.92 1.74 -1.26 -0.75 116.66 115.07 3n1q n ARG 55 Ca -0.01 -2.86 -0.33 0.00 -0.77 0.00 0.00 57.85 53.88 3n1q n ARG 55 Cb 0.19 -1.84 -0.00 0.00 -1.02 0.00 0.00 32.46 29.78 3n1q n ARG 55 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3n1q s THR 56 N -2.86 4.02 0.58 0.55 2.01 -0.87 -3.49 115.64 115.58 3n1q s THR 56 Ca 0.42 0.96 0.28 0.00 0.31 0.00 0.00 61.69 63.67 3n1q s THR 56 Cb 0.35 -3.48 0.35 0.00 0.01 0.00 0.00 72.50 69.72 3n1q s THR 56 CO 0.08 -0.56 2.18 -0.07 -0.69 0.00 0.00 174.62 175.56 3n1q h LEU 57 N 0.57 0.00 0.00 4.42 3.38 -1.92 0.22 115.31 121.99 3n1q h LEU 57 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3n1q h LEU 57 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 3n1q h LEU 57 CO 0.59 0.00 -0.02 0.61 0.09 0.00 0.00 178.44 179.70 3n1q n GLY 58 N -1.38 -1.52 0.00 0.83 0.00 -1.26 -4.59 105.19 97.26 3n1q n GLY 58 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3n1q n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n1q n ALA 59 N -1.55 0.06 -0.31 4.61 0.00 0.74 -4.81 120.51 119.25 3n1q n ALA 59 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3n1q n ALA 59 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 3n1q n ALA 59 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3n1q n SER 60 N 0.00 0.61 -0.10 0.00 7.64 0.07 -4.43 113.62 117.42 3n1q n SER 60 Ca 0.00 -0.95 0.01 0.00 1.01 0.00 0.00 58.87 58.94 3n1q n SER 60 Cb 0.00 0.05 -0.00 0.00 -1.01 0.00 0.00 64.21 63.25 3n1q n SER 60 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3n1q n GLY 61 N 0.05 -1.82 3.71 0.23 0.00 -0.93 -4.07 105.19 102.36 3n1q n GLY 61 Ca 0.00 -1.48 -0.32 0.00 0.00 0.00 0.00 46.02 44.21 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 -1.84 1.71 -0.17 1.61 0.02 -1.23 -4.34 135.00 130.76 3n1q s PRO 62 Ca 0.00 1.59 -0.29 0.00 0.02 0.00 0.00 61.00 62.31 3n1q s PRO 62 Cb 0.00 -1.80 -0.00 0.00 0.02 0.00 0.00 34.50 32.71 3n1q s PRO 62 CO 0.00 -2.12 1.09 0.00 -0.33 0.00 0.00 177.00 175.64 3n1q s ALA 63 N -2.39 3.60 -1.20 -1.55 0.00 -1.26 -4.92 121.76 114.04 3n1q s ALA 63 Ca 0.69 0.32 -0.05 0.00 0.00 0.00 0.00 51.96 52.93 3n1q s ALA 63 Cb -0.25 -3.53 0.15 0.00 0.00 0.00 0.00 23.12 19.49 3n1q s ALA 63 CO 0.52 -0.94 2.33 0.39 0.00 0.00 0.00 175.76 178.06 3n1q n GLU 64 N 5.95 4.53 -0.94 0.00 1.02 -1.26 -4.98 120.64 124.96 3n1q n GLU 64 Ca 0.11 -3.55 0.12 0.00 -0.02 0.00 0.00 57.16 53.83 3n1q n GLU 64 Cb 0.46 -2.56 -0.04 0.00 -0.02 0.00 0.00 31.44 29.28 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 1.35 -2.09 3.88 0.62 0.00 -1.26 -4.89 105.19 102.81 3n1q n GLY 65 Ca 0.59 -1.26 -0.35 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.38 3.40 -0.32 1.61 3.52 -1.26 -4.62 118.95 118.90 3n1q s ARG 66 Ca 0.00 -0.27 -0.11 0.00 -0.13 0.00 0.00 55.73 55.22 3n1q s ARG 66 Cb 0.00 -3.11 -0.01 0.00 -1.56 0.00 0.00 34.95 30.27 3n1q s ARG 66 CO 0.00 0.71 0.19 0.08 -0.81 0.00 0.00 175.30 175.47 3n1q s VAL 67 N -1.20 4.92 0.64 7.11 1.01 -0.89 -4.98 120.40 127.01 3n1q s VAL 67 Ca 0.22 -0.32 -0.05 0.00 0.00 0.00 0.00 61.98 61.83 3n1q s VAL 67 Cb -0.12 -3.52 0.04 0.00 0.00 0.00 0.00 36.38 32.78 3n1q s VAL 67 CO 0.13 0.03 0.94 0.00 0.00 0.00 0.00 175.10 176.20 3n1q s ALA 68 N 1.66 3.30 0.15 5.51 0.00 -1.26 -4.79 121.76 126.33 3n1q s ALA 68 Ca 0.05 -0.89 -0.14 0.00 0.00 0.00 0.00 51.96 50.98 3n1q s ALA 68 Cb -0.17 -2.54 0.04 0.00 0.00 0.00 0.00 23.12 20.45 3n1q s ALA 68 CO 0.08 -1.05 1.73 -0.09 0.00 0.00 0.00 175.76 176.43 3n1q h ARG 69 N -0.36 0.71 0.00 0.00 2.43 -1.98 -3.05 114.38 112.12 3n1q h ARG 69 Ca -0.45 -0.11 -0.15 0.00 -0.81 0.00 0.00 59.98 58.47 3n1q h ARG 69 Cb 1.29 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.70 3n1q h ARG 69 CO 0.59 0.60 -0.70 0.78 -1.51 0.00 0.00 179.97 179.73 3n1q h GLY 70 N 0.65 0.00 -2.72 2.80 0.00 -2.00 -3.46 103.07 98.34 3n1q h GLY 70 Ca 0.17 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.93 3n1q h GLY 70 CO -0.02 0.00 -0.27 -1.14 0.00 0.00 0.00 176.54 175.11 3n1q n SER 71 N -3.55 -0.70 -0.16 0.19 3.41 -1.15 -4.90 113.62 106.75 3n1q n SER 71 Ca -0.00 0.67 -0.08 0.00 -0.26 0.00 0.00 58.87 59.20 3n1q n SER 71 Cb 0.72 -1.25 0.07 0.00 -0.26 0.00 0.00 64.21 63.49 3n1q n SER 71 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3n1q h GLU 72 N -0.06 0.95 0.00 4.33 4.39 -1.90 -2.59 114.58 119.71 3n1q h GLU 72 Ca -0.46 -0.32 0.00 0.00 0.34 0.00 0.00 59.36 58.92 3n1q h GLU 72 Cb 1.37 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.94 3n1q h GLU 72 CO 0.45 0.98 0.00 0.54 -1.16 0.00 0.00 179.01 179.82 3n1q n ARG 73 N -4.16 0.02 0.13 2.33 1.74 -1.26 -0.87 116.66 114.59 3n1q n ARG 73 Ca 0.02 0.46 0.01 0.00 -0.77 0.00 0.00 57.85 57.57 3n1q n ARG 73 Cb 0.37 -1.56 0.02 0.00 -1.02 0.00 0.00 32.46 30.27 3n1q n ARG 73 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 3n1q h PHE 74 N 0.00 0.00 0.00 -1.55 3.57 -1.69 -3.23 116.94 114.05 3n1q h PHE 74 Ca 0.00 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.45 3n1q h PHE 74 Cb 0.06 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 3n1q h PHE 74 CO 0.00 0.58 -0.23 0.00 -2.23 0.00 0.00 178.31 176.44 3n1q h ARG 75 N 0.00 0.00 0.00 1.11 3.08 -1.14 -2.61 114.38 114.82 3n1q h ARG 75 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3n1q h ARG 75 Cb 1.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.48 3n1q h ARG 75 CO 0.08 0.23 0.00 -0.25 -1.07 0.00 0.00 179.97 178.96 3n1q n ASP 76 N -3.29 0.00 -4.66 7.04 8.00 -1.22 -4.67 116.55 117.75 3n1q n ASP 76 Ca 0.01 -0.43 -0.39 0.00 0.71 0.00 0.00 54.79 54.70 3n1q n ASP 76 Cb 0.49 -0.15 -0.07 0.00 -0.02 0.00 0.00 41.12 41.36 3n1q n ASP 76 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3n1q s LEU 77 N -2.31 4.14 -0.10 0.64 1.43 -0.99 -4.80 118.68 116.69 3n1q s LEU 77 Ca 0.31 0.55 -0.00 0.00 -1.03 0.00 0.00 54.13 53.96 3n1q s LEU 77 Cb 0.18 -2.58 -0.03 0.00 0.03 0.00 0.00 46.19 43.79 3n1q s LEU 77 CO 0.35 -0.13 -0.08 -0.69 0.23 0.00 0.00 176.35 176.03 3n1q s VAL 78 N 1.55 3.60 0.26 -1.59 1.01 -1.11 -4.80 120.40 119.31 3n1q s VAL 78 Ca 0.21 -0.49 -0.30 0.00 0.00 0.00 0.00 61.98 61.39 3n1q s VAL 78 Cb -0.15 -2.50 -0.10 0.00 0.00 0.00 0.00 36.38 33.62 3n1q s VAL 78 CO 0.09 0.56 1.44 -2.84 0.00 0.00 0.00 175.10 174.34 3n1q s PRO 79 N -0.30 4.26 -0.47 2.72 0.02 -1.26 -3.01 135.00 136.95 3n1q s PRO 79 Ca 0.04 2.31 -0.19 0.00 0.02 0.00 0.00 61.00 63.18 3n1q s PRO 79 Cb -0.13 -3.10 0.04 0.00 0.02 0.00 0.00 34.50 31.33 3n1q s PRO 79 CO 0.02 -0.42 0.60 1.21 -0.33 0.00 0.00 177.00 178.09 3n1q s ASN 80 N 0.32 6.25 -0.37 2.53 3.04 -0.35 -4.90 114.94 121.46 3n1q s ASN 80 Ca 0.59 -0.70 0.08 0.00 0.04 0.00 0.00 52.86 52.87 3n1q s ASN 80 Cb -0.42 -2.29 0.73 0.00 -1.54 0.00 0.00 41.25 37.73 3n1q s ASN 80 CO 0.44 -0.81 1.86 -1.22 -3.04 0.00 0.00 177.10 174.32 3n1q n TYR 81 N 6.12 2.70 -1.68 0.43 4.01 -1.26 -4.74 117.16 122.75 3n1q n TYR 81 Ca -0.05 -1.43 -0.54 0.00 -0.16 0.00 0.00 57.90 55.72 3n1q n TYR 81 Cb 0.46 -0.79 -0.06 0.00 -0.31 0.00 0.00 39.34 38.65 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 -0.48 2.46 0.24 7.72 2.85 -1.26 -4.84 115.26 121.95 3n1q n ASN 82 Ca 0.48 1.07 0.16 0.00 -0.11 0.00 0.00 54.58 56.17 3n1q n ASN 82 Cb 1.50 -1.21 0.59 0.00 1.24 0.00 0.00 39.78 41.89 3n1q n ASN 82 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3n1q h PRO 83 N 6.90 0.00 -0.66 1.20 0.13 -2.04 -2.83 132.00 134.70 3n1q h PRO 83 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3n1q h PRO 83 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 3n1q h PRO 83 CO 0.91 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.43 3n1q n ASP 84 N -2.89 4.56 -4.06 1.44 8.00 -1.26 -4.86 116.55 117.47 3n1q n ASP 84 Ca 0.01 -2.65 -0.23 0.00 0.71 0.00 0.00 54.79 52.63 3n1q n ASP 84 Cb 0.32 -0.62 -0.16 0.00 -0.02 0.00 0.00 41.12 40.64 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 -2.26 1.10 -0.27 0.53 1.01 -1.07 -3.80 121.20 116.43 3n1q s ILE 85 Ca 0.42 -0.53 -0.11 0.00 0.00 0.00 0.00 60.65 60.43 3n1q s ILE 85 Cb 0.31 -0.96 -0.05 0.00 0.01 0.00 0.00 42.46 41.78 3n1q s ILE 85 CO 0.14 0.33 0.20 -0.63 0.00 0.00 0.00 174.94 174.98 3n1q s ILE 86 N 0.13 5.31 -0.30 2.92 1.01 0.10 -4.89 121.20 125.48 3n1q s ILE 86 Ca -0.04 0.20 -0.09 0.00 0.00 0.00 0.00 60.65 60.73 3n1q s ILE 86 Cb -0.10 -3.54 -0.01 0.00 0.01 0.00 0.00 42.46 38.82 3n1q s ILE 86 CO 0.01 0.25 0.12 -0.36 0.00 0.00 0.00 174.94 174.97 3n1q s PHE 87 N 1.70 3.16 0.15 3.97 0.08 -1.26 -0.00 117.98 125.77 3n1q s PHE 87 Ca 0.08 -0.66 -0.25 0.00 0.12 0.00 0.00 56.93 56.22 3n1q s PHE 87 Cb -0.16 -2.31 0.01 0.00 -0.57 0.00 0.00 43.02 39.98 3n1q s PHE 87 CO 0.10 -0.47 1.61 -0.22 -0.10 0.00 0.00 175.22 176.14 3n1q h LYS 88 N 8.31 -0.33 -6.54 0.44 3.64 -1.35 -3.46 116.57 117.28 3n1q h LYS 88 Ca -0.33 0.02 -0.50 0.00 -1.27 0.00 0.00 60.65 58.58 3n1q h LYS 88 Cb 1.14 0.07 0.04 0.00 -0.41 0.00 0.00 32.23 33.08 3n1q h LYS 88 CO 0.61 -0.22 -0.96 -3.47 -2.27 0.00 0.00 179.45 173.14 3n1q n ASP 89 N -5.40 -4.88 0.21 4.20 2.03 -1.26 -4.85 116.55 106.59 3n1q n ASP 89 Ca -0.02 -1.11 0.13 0.00 0.52 0.00 0.00 54.79 54.31 3n1q n ASP 89 Cb 0.32 -2.59 0.25 0.00 -0.72 0.00 0.00 41.12 38.39 3n1q n ASP 89 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 3n1q h GLU 90 N -2.04 0.00 0.00 -0.67 9.09 -1.92 -2.86 114.58 116.18 3n1q h GLU 90 Ca -0.67 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.74 3n1q h GLU 90 Cb 1.37 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.47 3n1q h GLU 90 CO 0.48 0.00 0.00 0.39 0.05 0.00 0.00 179.01 179.93 3n1q n GLU 91 N -2.96 0.26 -4.07 1.06 4.71 -1.26 -4.91 120.64 113.47 3n1q n GLU 91 Ca 0.04 0.05 -0.29 0.00 -0.01 0.00 0.00 57.16 56.95 3n1q n GLU 91 Cb 0.49 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 29.39 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 -1.35 -1.09 0.00 1.62 3.02 -1.08 -4.82 115.26 111.56 3n1q n ASN 92 Ca 0.10 -1.03 0.00 0.00 -0.03 0.00 0.00 54.58 53.62 3n1q n ASN 92 Cb 0.23 -2.82 0.00 0.00 -0.61 0.00 0.00 39.78 36.58 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 -2.88 0.12 -0.71 6.41 3.41 -1.26 -5.01 113.62 113.70 3n1q n SER 93 Ca -0.20 -0.44 -0.09 0.00 -0.26 0.00 0.00 58.87 57.88 3n1q n SER 93 Cb 0.63 0.31 -0.04 0.00 -0.26 0.00 0.00 64.21 64.85 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 0.31 1.08 0.35 5.00 0.00 -1.26 -4.91 105.19 105.76 3n1q n GLY 94 Ca 0.00 -0.56 -0.05 0.00 0.00 0.00 0.00 46.02 45.41 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 1.07 -0.98 4.61 0.00 -1.95 -2.88 119.26 119.13 3n1q h ALA 95 Ca -0.19 -0.18 0.16 0.00 0.00 0.00 0.00 54.91 54.69 3n1q h ALA 95 Cb 0.63 -0.32 -0.09 0.00 0.00 0.00 0.00 17.79 18.00 3n1q h ALA 95 CO 0.28 0.67 0.61 -0.44 0.00 0.00 0.00 179.25 180.37 3n1q h ASP 96 N 1.19 0.79 -0.73 0.00 3.32 -1.91 -1.11 116.42 117.97 3n1q h ASP 96 Ca 0.28 0.06 -0.06 0.00 0.02 0.00 0.00 57.03 57.33 3n1q h ASP 96 Cb 0.18 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 3n1q h ASP 96 CO -0.03 0.36 0.21 0.03 -1.72 0.00 0.00 179.24 178.10 3n1q h ARG 97 N 0.81 1.14 -6.58 3.56 3.08 -1.80 -3.37 114.38 111.22 3n1q h ARG 97 Ca 0.52 -0.25 -0.57 0.00 0.07 0.00 0.00 59.98 59.75 3n1q h ARG 97 Cb 0.73 -0.16 0.07 0.00 0.08 0.00 0.00 29.97 30.69 3n1q h ARG 97 CO -0.29 0.98 0.81 1.28 -1.07 0.00 0.00 179.97 181.68 3n1q n LEU 98 N -4.24 3.40 -3.69 3.04 4.77 -0.42 -1.21 117.00 118.65 3n1q n LEU 98 Ca 0.06 1.10 -0.02 0.00 -0.03 0.00 0.00 56.01 57.11 3n1q n LEU 98 Cb 0.24 -1.47 -0.01 0.00 -2.33 0.00 0.00 43.42 39.84 3n1q n LEU 98 CO 0.42 -0.19 0.83 0.00 -1.33 0.00 0.00 177.39 177.12 3n1q s MET 99 N 0.56 0.89 0.97 3.23 0.23 -1.17 -3.15 119.30 120.87 3n1q s MET 99 Ca 0.74 -0.47 -0.15 0.00 -1.03 0.00 0.00 55.69 54.78 3n1q s MET 99 Cb -0.62 0.31 0.18 0.00 -1.53 0.00 0.00 34.83 33.17 3n1q s MET 99 CO 0.40 -0.41 1.19 0.95 -2.03 0.00 0.00 175.02 175.13 3n1q s THR 100 N -2.98 1.92 0.02 3.16 -4.23 -0.91 -2.76 115.64 109.86 3n1q s THR 100 Ca 0.12 0.00 -0.22 0.00 -1.18 0.00 0.00 61.69 60.41 3n1q s THR 100 Cb 0.01 -2.80 -0.16 0.00 1.34 0.00 0.00 72.50 70.88 3n1q s THR 100 CO -0.01 0.00 1.32 -0.33 -0.54 0.00 0.00 174.62 175.06 3n1q h GLU 101 N -1.72 0.27 -0.80 3.99 4.39 -1.93 -2.85 114.58 115.93 3n1q h GLU 101 Ca -0.47 -0.14 0.04 0.00 0.34 0.00 0.00 59.36 59.13 3n1q h GLU 101 Cb 1.29 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.90 3n1q h GLU 101 CO 0.49 0.69 0.53 -0.09 -1.16 0.00 0.00 179.01 179.47 3n1q h ARG 102 N -0.14 0.92 0.34 2.33 2.43 -1.94 -2.10 114.38 116.22 3n1q h ARG 102 Ca 0.02 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 3n1q h ARG 102 Cb 0.64 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 3n1q h ARG 102 CO 0.03 0.61 -0.28 0.00 -1.51 0.00 0.00 179.97 178.82 3n1q h LYS 104 N -0.62 -0.02 -0.96 0.00 1.57 -1.15 0.16 116.57 115.55 3n1q h LYS 104 Ca -0.02 0.00 0.20 0.00 -1.87 0.00 0.00 60.65 58.95 3n1q h LYS 104 Cb 0.55 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.78 3n1q h LYS 104 CO -0.02 -0.01 0.61 0.93 -0.57 0.00 0.00 179.45 180.39 3n1q h GLU 105 N -0.02 0.56 0.05 3.15 5.08 -1.34 0.22 114.58 122.27 3n1q h GLU 105 Ca 0.21 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.47 3n1q h GLU 105 Cb 0.35 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.48 3n1q h GLU 105 CO -0.47 0.37 -0.32 0.00 -1.00 0.00 0.00 179.01 177.59 3n1q h ARG 106 N 0.58 0.13 -0.33 2.33 2.47 -0.74 -2.96 114.38 115.85 3n1q h ARG 106 Ca 0.52 -0.20 -0.01 0.00 -1.26 0.00 0.00 59.98 59.03 3n1q h ARG 106 Cb 1.05 0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 29.43 3n1q h ARG 106 CO -0.27 1.08 0.18 0.28 0.56 0.00 0.00 179.97 181.80 3n1q h VAL 107 N -0.72 1.14 -0.98 2.04 2.07 -0.30 0.15 116.25 119.65 3n1q h VAL 107 Ca -0.05 -0.36 0.06 0.00 0.82 0.00 0.00 66.70 67.16 3n1q h VAL 107 Cb 1.23 0.78 -0.07 0.00 -1.52 0.00 0.00 31.29 31.71 3n1q h VAL 107 CO 0.06 0.14 0.63 0.78 0.02 0.00 0.00 177.57 179.20 3n1q h ASN 108 N 0.41 1.02 -0.31 0.57 2.35 -0.71 0.27 115.58 119.18 3n1q h ASN 108 Ca 0.12 0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 55.79 3n1q h ASN 108 Cb 0.07 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 3n1q h ASN 108 CO -0.02 0.65 -0.14 0.00 -1.65 0.00 0.00 177.43 176.27 3n1q h ALA 109 N 1.44 0.43 -0.77 -0.83 0.00 -1.28 -2.84 119.26 115.41 3n1q h ALA 109 Ca 0.42 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3n1q h ALA 109 Cb 0.15 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3n1q h ALA 109 CO -0.17 0.33 0.33 1.25 0.00 0.00 0.00 179.25 180.99 3n1q h LEU 110 N 0.40 1.05 -1.14 0.00 5.85 -0.39 -1.64 115.31 119.45 3n1q h LEU 110 Ca 0.07 -0.16 0.11 0.00 0.84 0.00 0.00 57.88 58.74 3n1q h LEU 110 Cb 0.66 -0.27 -0.07 0.00 0.37 0.00 0.00 40.66 41.35 3n1q h LEU 110 CO 0.04 0.92 0.60 0.00 -0.34 0.00 0.00 178.44 179.67 3n1q h ALA 111 N 1.17 1.61 -0.29 1.25 0.00 -0.40 0.25 119.26 122.84 3n1q h ALA 111 Ca 0.26 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.08 3n1q h ALA 111 Cb 0.19 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3n1q h ALA 111 CO -0.02 0.18 -0.18 0.82 0.00 0.00 0.00 179.25 180.05 3n1q h ILE 112 N 0.92 1.30 -0.36 0.00 2.04 -1.18 -2.92 117.51 117.31 3n1q h ILE 112 Ca 0.45 -1.30 -0.05 0.00 1.00 0.00 0.00 64.86 64.96 3n1q h ILE 112 Cb 0.46 1.51 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 3n1q h ILE 112 CO -0.21 0.41 0.02 0.00 0.00 0.00 0.00 178.15 178.37 3n1q h ALA 113 N 0.74 1.37 0.09 1.87 0.00 -0.26 -2.48 119.26 120.58 3n1q h ALA 113 Ca 0.06 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3n1q h ALA 113 Cb 0.72 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3n1q h ALA 113 CO 0.05 0.44 -0.04 0.28 0.00 0.00 0.00 179.25 179.98 3n1q h VAL 114 N 0.53 1.11 -0.41 0.00 2.07 -0.53 -0.69 116.25 118.34 3n1q h VAL 114 Ca 0.12 -0.78 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 3n1q h VAL 114 Cb 0.31 1.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 3n1q h VAL 114 CO 0.01 0.19 0.24 0.24 0.02 0.00 0.00 177.57 178.27 3n1q h MET 115 N -0.48 0.55 -0.27 1.57 2.86 -1.48 -1.25 114.93 116.44 3n1q h MET 115 Ca -0.01 -0.04 -0.16 0.00 -2.06 0.00 0.00 59.70 57.42 3n1q h MET 115 Cb 0.40 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 31.94 3n1q h MET 115 CO 0.02 0.39 -0.50 -0.97 1.06 0.00 0.00 176.91 176.92 3n1q h ASN 116 N 0.56 0.81 -0.18 1.22 -1.24 -1.31 -3.25 115.58 112.19 3n1q h ASN 116 Ca 0.15 -0.41 -0.14 0.00 0.71 0.00 0.00 56.30 56.61 3n1q h ASN 116 Cb -0.01 -0.23 0.00 0.00 0.73 0.00 0.00 38.32 38.81 3n1q h ASN 116 CO -0.03 1.16 -0.42 -0.03 -1.29 0.00 0.00 177.43 176.82 3n1q h MET 117 N 0.58 0.60 -3.71 6.67 4.05 -0.47 -3.41 114.93 119.25 3n1q h MET 117 Ca 0.03 -0.41 -0.58 0.00 -0.28 0.00 0.00 59.70 58.45 3n1q h MET 117 Cb 1.06 0.06 -0.40 0.00 -0.80 0.00 0.00 31.60 31.52 3n1q h MET 117 CO 0.10 1.03 -0.76 -1.58 0.23 0.00 0.00 176.91 175.93 3n1q s TRP 118 N -3.98 1.87 0.08 1.39 0.51 -0.53 -5.10 118.94 113.16 3n1q s TRP 118 Ca -0.12 -1.76 -0.33 0.00 -2.12 0.00 0.00 56.10 51.77 3n1q s TRP 118 Cb 0.07 -1.74 -0.12 0.00 -0.81 0.00 0.00 33.47 30.87 3n1q s TRP 118 CO 0.83 -0.85 1.77 -2.30 -0.51 0.00 0.00 176.95 175.90 3n1q n PRO 119 N 4.80 2.44 0.00 4.98 -0.02 -1.23 -0.97 135.00 145.01 3n1q n PRO 119 Ca -0.03 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 3n1q n PRO 119 Cb 0.43 -2.73 0.00 0.00 -0.02 0.00 0.00 33.50 31.17 3n1q n PRO 119 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3n1q n GLY 120 N 4.04 0.82 3.95 -1.23 0.00 -1.26 -5.06 105.19 106.46 3n1q n GLY 120 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.27 4.75 0.09 1.61 1.01 -0.14 -5.04 120.40 120.41 3n1q s VAL 121 Ca 0.00 -0.61 -0.09 0.00 0.00 0.00 0.00 61.98 61.28 3n1q s VAL 121 Cb 0.00 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.66 3n1q s VAL 121 CO 0.00 -0.43 0.20 -0.13 0.00 0.00 0.00 175.10 174.75 3n1q s ARG 122 N -4.31 0.86 0.21 2.72 0.52 -1.26 -4.14 118.95 113.55 3n1q s ARG 122 Ca 0.42 -0.94 -0.30 0.00 -0.52 0.00 0.00 55.73 54.39 3n1q s ARG 122 Cb -0.10 0.35 -0.08 0.00 0.52 0.00 0.00 34.95 35.64 3n1q s ARG 122 CO 0.35 -0.28 1.12 -1.17 0.02 0.00 0.00 175.30 175.34 3n1q s LEU 123 N -2.84 4.50 -0.14 2.53 2.96 -1.25 -0.58 118.68 123.86 3n1q s LEU 123 Ca 0.05 2.17 0.01 0.00 -0.22 0.00 0.00 54.13 56.13 3n1q s LEU 123 Cb 0.05 -3.61 0.02 0.00 0.50 0.00 0.00 46.19 43.14 3n1q s LEU 123 CO -0.11 -0.22 -0.15 -0.60 -1.32 0.00 0.00 176.35 173.95 3n1q s ARG 124 N -0.66 2.28 -0.21 1.98 3.52 -0.66 0.02 118.95 125.23 3n1q s ARG 124 Ca 0.48 -0.56 -0.09 0.00 -0.13 0.00 0.00 55.73 55.43 3n1q s ARG 124 Cb -0.31 -2.05 -0.04 0.00 -1.56 0.00 0.00 34.95 30.99 3n1q s ARG 124 CO 0.37 -0.19 0.11 0.08 -0.81 0.00 0.00 175.30 174.86 3n1q s VAL 125 N 1.34 5.08 -0.61 7.11 1.01 1.00 0.14 120.40 135.46 3n1q s VAL 125 Ca 0.02 0.07 0.15 0.00 0.00 0.00 0.00 61.98 62.22 3n1q s VAL 125 Cb -0.13 -3.33 -0.17 0.00 0.00 0.00 0.00 36.38 32.75 3n1q s VAL 125 CO -0.08 0.41 0.59 0.35 0.00 0.00 0.00 175.10 176.36 3n1q n THR 126 N 3.89 0.00 -3.21 3.92 -2.24 0.19 -0.89 114.28 115.94 3n1q n THR 126 Ca -0.16 -0.18 -0.01 0.00 -2.27 0.00 0.00 64.05 61.44 3n1q n THR 126 Cb 0.52 0.90 -0.03 0.00 -2.10 0.00 0.00 70.33 69.62 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 -2.46 0.50 0.00 -0.78 0.41 -1.20 -4.78 118.70 110.40 3n1q s GLU 127 Ca 0.04 0.67 0.00 0.00 -0.41 0.00 0.00 54.97 55.27 3n1q s GLU 127 Cb 0.11 0.14 0.00 0.00 -1.78 0.00 0.00 34.13 32.60 3n1q s GLU 127 CO 0.60 -0.79 0.00 0.41 -0.49 0.00 0.00 175.26 174.99 3n1q n GLY 128 N 5.40 0.45 3.77 -1.39 0.00 -1.26 -1.17 105.19 110.99 3n1q n GLY 128 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 2.99 2.80 0.04 1.61 -0.00 -1.19 -4.71 118.94 120.49 3n1q s TRP 129 Ca 0.00 1.52 0.05 0.00 -0.00 0.00 0.00 56.10 57.67 3n1q s TRP 129 Cb 0.00 -3.42 -0.02 0.00 -0.00 0.00 0.00 33.47 30.03 3n1q s TRP 129 CO 0.00 -1.66 -0.14 0.34 -0.00 0.00 0.00 176.95 175.49 3n1q s ASP 130 N -1.33 1.61 0.00 5.86 2.15 0.73 -4.29 116.67 121.41 3n1q s ASP 130 Ca 0.65 -0.47 0.00 0.00 0.43 0.00 0.00 52.55 53.16 3n1q s ASP 130 Cb -0.30 -0.09 0.00 0.00 -0.30 0.00 0.00 42.92 42.23 3n1q s ASP 130 CO 0.36 0.01 0.02 -1.84 -0.17 0.00 0.00 175.17 173.55 3n1q n GLU 131 N 1.84 0.00 0.08 4.34 0.28 -1.26 -4.57 120.64 121.35 3n1q n GLU 131 Ca -0.18 -0.02 -0.08 0.00 -0.16 0.00 0.00 57.16 56.72 3n1q n GLU 131 Cb 0.55 -0.49 -0.06 0.00 1.43 0.00 0.00 31.44 32.87 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 0.11 -1.09 -1.84 3.45 -2.00 -3.48 116.42 111.56 3n1q h ASP 132 Ca 0.00 -0.10 -0.05 0.00 0.43 0.00 0.00 57.03 57.31 3n1q h ASP 132 Cb 0.52 -0.03 0.01 0.00 -0.56 0.00 0.00 39.33 39.27 3n1q h ASP 132 CO 0.00 0.99 -0.08 0.61 -1.57 0.00 0.00 179.24 179.20 3n1q n GLY 133 N 1.12 0.57 0.56 2.75 0.00 -1.26 -4.95 105.19 103.98 3n1q n GLY 133 Ca -0.02 -0.65 0.11 0.00 0.00 0.00 0.00 46.02 45.46 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 -3.29 0.00 -2.78 1.61 1.44 -1.26 -4.94 115.22 106.00 3n1q n HIS 134 Ca -0.01 0.00 -0.29 0.00 -2.01 0.00 0.00 57.72 55.40 3n1q n HIS 134 Cb 0.51 -0.01 -0.02 0.00 0.12 0.00 0.00 29.99 30.59 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 -2.39 3.50 1.07 -1.40 3.76 -1.26 -5.05 115.29 113.52 3n1q s HIS 135 Ca 0.21 0.97 -0.15 0.00 -0.15 0.00 0.00 55.06 55.94 3n1q s HIS 135 Cb 0.19 -2.40 0.14 0.00 1.11 0.00 0.00 32.58 31.62 3n1q s HIS 135 CO 0.52 -0.16 0.49 0.00 -0.85 0.00 0.00 174.74 174.74 3n1q n ALA 136 N -1.60 -3.07 -2.03 -1.40 0.00 -1.26 -4.86 120.51 106.29 3n1q n ALA 136 Ca 0.02 -1.01 -0.41 0.00 0.00 0.00 0.00 53.44 52.03 3n1q n ALA 136 Cb 0.54 -1.79 -0.03 0.00 0.00 0.00 0.00 19.45 18.17 3n1q n ALA 136 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3n1q s GLN 137 N -3.87 4.38 0.00 0.00 -0.21 -1.26 -2.35 119.66 116.35 3n1q s GLN 137 Ca 0.61 2.05 0.00 0.00 0.02 0.00 0.00 55.36 58.04 3n1q s GLN 137 Cb -0.19 -3.20 0.00 0.00 1.00 0.00 0.00 33.01 30.62 3n1q s GLN 137 CO 0.65 -0.27 0.00 -0.25 -2.12 0.00 0.00 175.29 173.31 3n1q n ASP 138 N 2.75 0.00 -4.52 5.90 9.92 -1.26 -4.99 116.55 124.35 3n1q n ASP 138 Ca 0.07 0.00 -0.43 0.00 -0.53 0.00 0.00 54.79 53.89 3n1q n ASP 138 Cb 0.43 0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 40.90 3n1q n ASP 138 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 3n1q n SER 139 N 0.00 0.15 0.22 -2.24 2.88 -0.99 -4.78 113.62 108.86 3n1q n SER 139 Ca 0.00 1.04 0.09 0.00 -1.33 0.00 0.00 58.87 58.67 3n1q n SER 139 Cb 0.00 -1.19 0.51 0.00 -0.75 0.00 0.00 64.21 62.77 3n1q n SER 139 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 3n1q h LEU 140 N 1.33 0.00 -2.19 2.46 3.38 -1.94 -2.79 115.31 115.56 3n1q h LEU 140 Ca -0.39 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.63 3n1q h LEU 140 Cb 1.37 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.12 3n1q h LEU 140 CO 0.56 0.24 0.27 0.45 0.09 0.00 0.00 178.44 180.05 3n1q h HIS 141 N 0.00 0.00 0.00 1.13 3.86 -1.84 0.99 115.15 119.29 3n1q h HIS 141 Ca -0.00 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.17 3n1q h HIS 141 Cb 0.65 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.11 3n1q h HIS 141 CO 0.00 0.00 -0.20 1.88 0.86 0.00 0.00 177.93 180.47 3n1q h TYR 142 N 0.00 0.00 -0.47 2.45 0.05 -1.74 0.21 116.97 117.48 3n1q h TYR 142 Ca 0.08 0.00 -0.29 0.00 0.05 0.00 0.00 58.73 58.57 3n1q h TYR 142 Cb 0.63 0.00 -0.18 0.00 1.01 0.00 0.00 36.73 38.18 3n1q h TYR 142 CO 0.00 0.20 -0.17 -0.85 -1.05 0.00 0.00 178.16 176.29 3n1q n GLU 143 N -3.17 2.24 -3.26 4.88 0.28 0.31 -2.10 120.64 119.83 3n1q n GLU 143 Ca 0.03 -3.41 -0.21 0.00 -0.16 0.00 0.00 57.16 53.41 3n1q n GLU 143 Cb 0.58 -1.94 -0.01 0.00 1.43 0.00 0.00 31.44 31.50 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 -1.03 -0.48 0.36 -1.84 0.00 -1.05 -4.77 105.19 96.37 3n1q n GLY 144 Ca 0.37 0.07 0.04 0.00 0.00 0.00 0.00 46.02 46.50 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 -3.55 0.95 -4.19 1.61 1.74 -1.01 -2.13 116.66 110.08 3n1q n ARG 145 Ca -0.02 -1.25 -0.18 0.00 -0.77 0.00 0.00 57.85 55.63 3n1q n ARG 145 Cb 0.54 -1.16 -0.12 0.00 -1.02 0.00 0.00 32.46 30.70 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 -0.76 1.28 0.00 7.54 0.00 -1.25 -1.25 121.76 127.32 3n1q s ALA 146 Ca 0.11 -1.08 0.01 0.00 0.00 0.00 0.00 51.96 51.00 3n1q s ALA 146 Cb 0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.09 3n1q s ALA 146 CO 0.10 0.16 -0.02 -0.51 0.00 0.00 0.00 175.76 175.49 3n1q s LEU 147 N -1.92 2.05 -0.30 0.00 1.43 0.34 -4.36 118.68 115.92 3n1q s LEU 147 Ca 0.01 -0.12 -0.09 0.00 -1.03 0.00 0.00 54.13 52.90 3n1q s LEU 147 Cb -0.09 -0.06 -0.00 0.00 0.03 0.00 0.00 46.19 46.07 3n1q s LEU 147 CO 0.02 -0.04 0.13 -1.81 0.23 0.00 0.00 176.35 174.89 3n1q s ASP 148 N -0.32 5.43 0.13 2.29 1.01 -0.32 -0.98 116.67 123.91 3n1q s ASP 148 Ca -0.02 -0.54 0.11 0.00 0.71 0.00 0.00 52.55 52.80 3n1q s ASP 148 Cb -0.02 -1.97 -0.04 0.00 1.01 0.00 0.00 42.92 41.90 3n1q s ASP 148 CO -0.00 -0.18 -0.27 0.27 0.21 0.00 0.00 175.17 175.20 3n1q s ILE 149 N 1.59 2.26 0.07 0.77 -4.36 -0.36 0.54 121.20 121.70 3n1q s ILE 149 Ca 0.04 -1.76 0.01 0.00 -0.26 0.00 0.00 60.65 58.69 3n1q s ILE 149 Cb -0.17 -2.00 -0.00 0.00 1.25 0.00 0.00 42.46 41.53 3n1q s ILE 149 CO 0.05 0.09 0.05 0.35 0.24 0.00 0.00 174.94 175.72 3n1q n THR 150 N 0.91 0.00 -3.93 8.37 -2.24 0.12 -1.73 114.28 115.79 3n1q n THR 150 Ca -0.18 -0.46 -0.31 0.00 -2.27 0.00 0.00 64.05 60.82 3n1q n THR 150 Cb 0.53 0.21 -0.04 0.00 -2.10 0.00 0.00 70.33 68.93 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 -2.14 5.31 0.39 4.28 -4.23 -1.26 -1.65 115.64 116.34 3n1q s THR 151 Ca 0.07 -0.38 0.19 0.00 -1.18 0.00 0.00 61.69 60.39 3n1q s THR 151 Cb 0.00 -3.56 0.39 0.00 1.34 0.00 0.00 72.50 70.67 3n1q s THR 151 CO 0.05 0.18 1.73 0.77 -0.54 0.00 0.00 174.62 176.81 3n1q h SER 152 N 3.27 0.45 -0.07 3.99 4.64 -1.15 0.30 113.55 124.97 3n1q h SER 152 Ca -0.46 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 3n1q h SER 152 Cb 1.17 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3n1q h SER 152 CO 0.73 0.03 0.00 -0.90 -0.87 0.00 0.00 176.83 175.82 3n1q n ASP 153 N -4.70 1.38 -2.98 4.97 5.75 -1.26 -4.93 116.55 114.78 3n1q n ASP 153 Ca 0.28 -1.54 -0.22 0.00 -0.01 0.00 0.00 54.79 53.30 3n1q n ASP 153 Cb 0.96 -0.04 0.02 0.00 -1.03 0.00 0.00 41.12 41.03 3n1q n ASP 153 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3n1q n ARG 154 N 0.10 -4.05 -3.01 0.11 3.00 0.11 -4.94 116.66 107.98 3n1q n ARG 154 Ca 0.18 0.82 -0.43 0.00 -0.01 0.00 0.00 57.85 58.40 3n1q n ARG 154 Cb 0.31 -5.61 -0.05 0.00 0.00 0.00 0.00 32.46 27.11 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 -2.58 6.27 0.53 0.55 2.15 -1.26 -4.91 116.67 117.42 3n1q s ASP 155 Ca 0.27 -0.68 0.23 0.00 0.43 0.00 0.00 52.55 52.80 3n1q s ASP 155 Cb -0.12 -2.36 1.46 0.00 -0.30 0.00 0.00 42.92 41.60 3n1q s ASP 155 CO 0.33 -1.06 2.15 0.03 -0.17 0.00 0.00 175.17 176.45 3n1q h ARG 156 N 9.15 0.00 0.00 4.34 3.08 -1.92 0.01 114.38 129.05 3n1q h ARG 156 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.78 3n1q h ARG 156 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.13 3n1q h ARG 156 CO 1.03 0.06 0.00 0.09 -1.07 0.00 0.00 179.97 180.08 3n1q n ASN 157 N -4.07 0.00 -0.00 7.04 3.02 -1.26 -1.17 115.26 118.82 3n1q n ASN 157 Ca -0.03 -0.00 0.04 0.00 -0.03 0.00 0.00 54.58 54.56 3n1q n ASN 157 Cb 0.14 -0.07 -0.06 0.00 -0.61 0.00 0.00 39.78 39.19 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 -1.07 1.33 0.11 3.52 5.02 -0.01 -4.65 118.16 122.41 3n1q n LYS 158 Ca 0.02 -0.05 0.05 0.00 -2.02 0.00 0.00 58.31 56.30 3n1q n LYS 158 Cb 0.01 -1.11 0.49 0.00 -0.02 0.00 0.00 35.03 34.41 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 0.00 0.28 -0.05 2.13 0.05 -1.22 0.33 116.97 118.49 3n1q h TYR 159 Ca 0.00 -0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 3n1q h TYR 159 Cb 0.32 -0.09 -0.00 0.00 1.01 0.00 0.00 36.73 37.97 3n1q h TYR 159 CO 0.00 0.22 0.03 0.78 -1.05 0.00 0.00 178.16 178.14 3n1q h GLY 160 N 0.39 0.08 1.11 3.88 0.00 -1.82 -1.34 103.07 105.37 3n1q h GLY 160 Ca 0.08 -0.04 -0.15 0.00 0.00 0.00 0.00 47.33 47.22 3n1q h GLY 160 CO -0.01 0.03 -0.36 -2.00 0.00 0.00 0.00 176.54 174.20 3n1q h LEU 161 N 0.02 0.98 -0.92 3.11 6.46 -1.67 0.07 115.31 123.36 3n1q h LEU 161 Ca 0.02 -0.46 0.15 0.00 -0.12 0.00 0.00 57.88 57.47 3n1q h LEU 161 Cb 0.06 -0.27 -0.09 0.00 -0.73 0.00 0.00 40.66 39.62 3n1q h LEU 161 CO -0.00 1.23 0.52 0.25 -0.62 0.00 0.00 178.44 179.82 3n1q h LEU 162 N 0.73 0.68 -0.60 2.25 5.85 -0.20 0.02 115.31 124.04 3n1q h LEU 162 Ca 0.06 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 3n1q h LEU 162 Cb 0.95 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.92 3n1q h LEU 162 CO 0.09 0.29 0.36 0.00 -0.34 0.00 0.00 178.44 178.84 3n1q h ALA 163 N 1.57 0.76 -0.45 1.25 0.00 -1.18 -1.80 119.26 119.41 3n1q h ALA 163 Ca 0.50 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.34 3n1q h ALA 163 Cb 0.67 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 3n1q h ALA 163 CO -0.34 0.25 0.28 -0.09 0.00 0.00 0.00 179.25 179.34 3n1q h ARG 164 N 0.81 0.55 0.00 0.00 9.65 -1.03 -2.08 114.38 122.27 3n1q h ARG 164 Ca 0.21 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 59.05 3n1q h ARG 164 Cb -0.01 -0.12 -0.00 0.00 -1.39 0.00 0.00 29.97 28.44 3n1q h ARG 164 CO -0.04 0.36 -0.03 -0.07 2.80 0.00 0.00 179.97 182.99 3n1q h LEU 165 N 0.56 0.00 -0.55 3.80 3.38 -0.73 -1.12 115.31 120.65 3n1q h LEU 165 Ca 0.18 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.99 3n1q h LEU 165 Cb -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3n1q h LEU 165 CO -0.07 0.03 -0.50 0.00 0.09 0.00 0.00 178.44 178.00 3n1q h ALA 166 N 1.97 0.73 -0.36 1.53 0.00 -0.66 0.14 119.26 122.62 3n1q h ALA 166 Ca -0.00 -0.49 -0.06 0.00 0.00 0.00 0.00 54.91 54.36 3n1q h ALA 166 Cb 0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3n1q h ALA 166 CO 0.00 0.67 -0.01 0.28 0.00 0.00 0.00 179.25 180.20 3n1q h VAL 167 N 0.46 1.26 0.00 0.00 2.07 -0.84 -1.90 116.25 117.31 3n1q h VAL 167 Ca 0.02 -1.00 -0.03 0.00 0.82 0.00 0.00 66.70 66.51 3n1q h VAL 167 Cb 1.03 1.21 -0.00 0.00 -1.52 0.00 0.00 31.29 32.00 3n1q h VAL 167 CO 0.10 0.33 -0.14 -0.33 0.02 0.00 0.00 177.57 177.55 3n1q h GLU 168 N 0.45 0.00 0.00 1.57 4.39 -1.23 -2.27 114.58 117.49 3n1q h GLU 168 Ca 0.10 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.80 3n1q h GLU 168 Cb 0.48 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 3n1q h GLU 168 CO 0.02 0.14 0.00 0.00 -1.16 0.00 0.00 179.01 178.01 3n1q h ALA 169 N 1.86 1.00 0.00 3.43 0.00 -0.46 -3.46 119.26 121.63 3n1q h ALA 169 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3n1q h ALA 169 Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3n1q h ALA 169 CO 0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.68 3n1q n GLY 170 N -0.06 1.20 3.75 0.00 0.00 -0.85 -4.72 105.19 104.50 3n1q n GLY 170 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3n1q n GLY 170 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3n1q s PHE 171 N -2.00 3.15 -0.36 1.61 0.08 -0.74 -4.92 117.98 114.81 3n1q s PHE 171 Ca 0.00 1.27 0.27 0.00 0.12 0.00 0.00 56.93 58.59 3n1q s PHE 171 Cb 0.00 -3.66 0.81 0.00 -0.57 0.00 0.00 43.02 39.60 3n1q s PHE 171 CO 0.00 -1.97 1.76 -0.44 -0.10 0.00 0.00 175.22 174.47 3n1q h ASP 172 N 4.55 0.00 -1.64 1.36 3.32 -1.70 -3.43 116.42 118.88 3n1q h ASP 172 Ca -0.46 0.00 0.07 0.00 0.02 0.00 0.00 57.03 56.65 3n1q h ASP 172 Cb 1.22 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.56 3n1q h ASP 172 CO 0.73 0.00 -0.21 0.86 -1.72 0.00 0.00 179.24 178.90 3n1q s TRP 173 N -3.32 -1.40 -0.18 4.55 -0.00 -1.11 -4.26 118.94 113.22 3n1q s TRP 173 Ca 0.06 2.01 -0.01 0.00 -0.00 0.00 0.00 56.10 58.16 3n1q s TRP 173 Cb 0.08 0.67 0.00 0.00 -0.00 0.00 0.00 33.47 34.22 3n1q s TRP 173 CO 0.58 -0.74 -0.13 0.08 -0.00 0.00 0.00 176.95 176.74 3n1q s VAL 174 N 2.86 2.77 -0.12 5.86 1.01 -0.56 -1.16 120.40 131.06 3n1q s VAL 174 Ca 0.05 -0.72 -0.01 0.00 0.00 0.00 0.00 61.98 61.31 3n1q s VAL 174 Cb -0.13 -2.20 0.03 0.00 0.00 0.00 0.00 36.38 34.07 3n1q s VAL 174 CO -0.19 0.49 -0.06 -0.47 0.00 0.00 0.00 175.10 174.87 3n1q s TYR 175 N 1.09 1.42 -1.12 5.22 5.04 0.13 -0.99 117.35 128.14 3n1q s TYR 175 Ca 0.00 -0.73 -0.23 0.00 -2.44 0.00 0.00 57.07 53.68 3n1q s TYR 175 Cb -0.14 -1.19 -0.05 0.00 0.35 0.00 0.00 41.96 40.92 3n1q s TYR 175 CO -0.04 -0.51 1.89 -0.47 -1.34 0.00 0.00 175.55 175.08 3n1q s TYR 176 N 1.73 2.04 -0.11 4.97 6.14 -0.15 -0.18 117.35 131.79 3n1q s TYR 176 Ca 0.04 0.19 -0.03 0.00 0.64 0.00 0.00 57.07 57.92 3n1q s TYR 176 Cb -0.13 -4.14 -0.01 0.00 0.42 0.00 0.00 41.96 38.10 3n1q s TYR 176 CO -0.08 -1.45 -0.04 1.49 0.64 0.00 0.00 175.55 176.12 3n1q h GLU 177 N 9.87 0.00 -6.06 4.97 4.81 -1.85 -1.27 114.58 125.06 3n1q h GLU 177 Ca 0.21 0.00 -0.56 0.00 -0.13 0.00 0.00 59.36 58.88 3n1q h GLU 177 Cb 0.95 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 30.24 3n1q h GLU 177 CO 1.26 0.02 -0.56 0.45 -0.73 0.00 0.00 179.01 179.44 3n1q s SER 178 N -5.61 4.50 0.00 1.04 0.15 -1.03 -4.67 113.70 108.08 3n1q s SER 178 Ca -0.04 -0.86 0.23 0.00 0.70 0.00 0.00 55.95 55.97 3n1q s SER 178 Cb 0.01 -0.65 1.12 0.00 -1.71 0.00 0.00 66.02 64.78 3n1q s SER 178 CO 0.07 -0.29 1.74 0.54 1.20 0.00 0.00 173.24 176.50 3n1q n ARG 179 N -1.09 0.27 -0.00 5.44 1.74 -1.26 -3.16 116.66 118.60 3n1q n ARG 179 Ca -0.03 0.08 0.06 0.00 -0.77 0.00 0.00 57.85 57.18 3n1q n ARG 179 Cb 0.62 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 30.49 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 -1.32 0.61 -3.60 0.55 3.02 -1.26 -4.90 115.26 108.36 3n1q n ASN 180 Ca 0.10 -0.75 -0.08 0.00 -0.03 0.00 0.00 54.58 53.82 3n1q n ASN 180 Cb 0.19 1.02 -0.02 0.00 -0.61 0.00 0.00 39.78 40.36 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 -2.13 -0.34 -0.07 3.10 -3.43 -1.19 -4.88 115.29 106.35 3n1q s HIS 181 Ca 0.04 0.08 0.04 0.00 -0.80 0.00 0.00 55.06 54.42 3n1q s HIS 181 Cb 0.09 0.60 -0.01 0.00 -1.43 0.00 0.00 32.58 31.82 3n1q s HIS 181 CO 0.48 -0.84 -0.21 0.08 -2.00 0.00 0.00 174.74 172.25 3n1q s VAL 182 N -3.52 2.42 -0.17 -5.38 1.01 -0.70 -2.47 120.40 111.59 3n1q s VAL 182 Ca 0.06 -0.93 -0.15 0.00 0.00 0.00 0.00 61.98 60.97 3n1q s VAL 182 Cb -0.02 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 3n1q s VAL 182 CO -0.05 0.56 0.33 -2.28 0.00 0.00 0.00 175.10 173.67 3n1q s HIS 183 N -0.12 3.44 -0.05 5.22 2.46 0.75 -1.23 115.29 125.77 3n1q s HIS 183 Ca -0.04 0.62 -0.01 0.00 0.47 0.00 0.00 55.06 56.10 3n1q s HIS 183 Cb -0.14 -2.40 0.03 0.00 -0.13 0.00 0.00 32.58 29.93 3n1q s HIS 183 CO 0.04 0.17 0.02 0.08 -2.47 0.00 0.00 174.74 172.58 3n1q s VAL 184 N 0.70 0.16 0.36 0.89 1.01 -0.15 0.22 120.40 123.59 3n1q s VAL 184 Ca 0.18 0.20 0.04 0.00 0.00 0.00 0.00 61.98 62.40 3n1q s VAL 184 Cb -0.14 -0.33 -0.06 0.00 0.00 0.00 0.00 36.38 35.85 3n1q s VAL 184 CO 0.05 0.20 0.06 -0.94 0.00 0.00 0.00 175.10 174.47 3n1q s SER 185 N 1.72 2.75 0.08 3.32 1.04 -0.31 -0.50 113.70 121.79 3n1q s SER 185 Ca 0.00 -1.44 0.02 0.00 0.48 0.00 0.00 55.95 55.02 3n1q s SER 185 Cb -0.13 -0.01 -0.04 0.00 0.10 0.00 0.00 66.02 65.95 3n1q s SER 185 CO -0.03 -0.65 -0.08 0.68 0.98 0.00 0.00 173.24 174.14 3n1q s VAL 186 N -3.18 0.70 0.87 5.02 -7.23 -0.38 -2.10 120.40 114.10 3n1q s VAL 186 Ca 0.33 -1.63 -0.11 0.00 -1.81 0.00 0.00 61.98 58.76 3n1q s VAL 186 Cb 0.08 -1.31 0.11 0.00 0.56 0.00 0.00 36.38 35.82 3n1q s VAL 186 CO 0.15 -0.67 1.10 -0.54 -0.31 0.00 0.00 175.10 174.83 3n1q s LYS 187 N -2.97 1.46 0.76 4.82 1.02 -1.26 -4.90 119.74 118.67 3n1q s LYS 187 Ca 0.04 1.11 -0.15 0.00 0.02 0.00 0.00 55.97 56.99 3n1q s LYS 187 Cb -0.01 -1.81 0.04 0.00 -0.52 0.00 0.00 37.83 35.54 3n1q s LYS 187 CO -0.02 -2.18 1.15 0.00 -0.92 0.00 0.00 175.35 173.37 3n1q n ALA 188 N -3.88 0.12 1.30 5.17 0.00 -1.26 -4.91 120.51 117.04 3n1q n ALA 188 Ca 0.09 -0.23 0.13 0.00 0.00 0.00 0.00 53.44 53.43 3n1q n ALA 188 Cb 0.54 -2.22 0.35 0.00 0.00 0.00 0.00 19.45 18.11 3n1q n ALA 188 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25