#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n1p n PRO 41 N 0.00 0.23 -4.35 0.52 -0.04 -1.15 -4.94 135.00 125.26 3n1p n PRO 41 Ca 0.00 0.11 -0.27 0.00 -0.04 0.00 0.00 63.50 63.31 3n1p n PRO 41 Cb 0.00 -1.73 -0.10 0.00 -0.04 0.00 0.00 33.50 31.63 3n1p n PRO 41 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 3n1p s ARG 42 N -2.65 1.82 -0.17 0.54 1.70 -1.26 -5.05 118.95 113.88 3n1p s ARG 42 Ca 0.63 -1.40 -0.25 0.00 -0.47 0.00 0.00 55.73 54.24 3n1p s ARG 42 Cb -0.34 -2.01 -0.01 0.00 -0.57 0.00 0.00 34.95 32.01 3n1p s ARG 42 CO 0.60 0.41 0.82 -1.59 -1.08 0.00 0.00 175.30 174.46 3n1p s LYS 43 N -2.82 4.29 0.30 3.89 -2.85 -1.26 -5.04 119.74 116.26 3n1p s LYS 43 Ca 0.24 0.99 0.05 0.00 -1.00 0.00 0.00 55.97 56.25 3n1p s LYS 43 Cb -0.08 -3.58 -0.06 0.00 -2.06 0.00 0.00 37.83 32.05 3n1p s LYS 43 CO 0.13 -0.33 0.00 -0.51 0.10 0.00 0.00 175.35 174.75 3n1p s LEU 44 N 2.15 2.35 -0.44 2.77 1.43 -1.26 -5.11 118.68 120.57 3n1p s LEU 44 Ca 0.38 -1.29 -0.14 0.00 -1.03 0.00 0.00 54.13 52.05 3n1p s LEU 44 Cb -0.16 -0.51 0.06 0.00 0.03 0.00 0.00 46.19 45.61 3n1p s LEU 44 CO 0.12 -0.48 0.34 0.68 0.23 0.00 0.00 176.35 177.24 3n1p s VAL 45 N -3.15 4.97 0.58 -1.59 -7.23 -1.26 -5.07 120.40 107.65 3n1p s VAL 45 Ca 0.33 -1.06 -0.20 0.00 -1.81 0.00 0.00 61.98 59.24 3n1p s VAL 45 Cb 0.07 -3.94 -0.04 0.00 0.56 0.00 0.00 36.38 33.02 3n1p s VAL 45 CO 0.14 -0.50 1.19 -2.65 -0.31 0.00 0.00 175.10 172.96 3n1p n PRO 46 N 5.12 1.25 -2.87 4.82 -0.02 -1.26 -4.72 135.00 137.31 3n1p n PRO 46 Ca -0.12 0.47 -0.38 0.00 -2.02 0.00 0.00 63.50 61.46 3n1p n PRO 46 Cb 0.44 -2.39 -0.06 0.00 -0.02 0.00 0.00 33.50 31.47 3n1p n PRO 46 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3n1p s LEU 47 N -3.01 4.43 0.52 2.45 1.43 -1.01 -4.92 118.68 118.56 3n1p s LEU 47 Ca 0.75 1.74 -0.13 0.00 -1.03 0.00 0.00 54.13 55.46 3n1p s LEU 47 Cb -0.42 -3.75 -0.06 0.00 0.03 0.00 0.00 46.19 41.99 3n1p s LEU 47 CO 0.47 0.03 0.95 0.00 0.23 0.00 0.00 176.35 178.02 3n1p s ALA 48 N -1.46 3.15 0.20 4.21 0.00 -1.26 -4.45 121.76 122.14 3n1p s ALA 48 Ca 0.45 -0.01 -0.33 0.00 0.00 0.00 0.00 51.96 52.07 3n1p s ALA 48 Cb -0.20 -3.00 -0.13 0.00 0.00 0.00 0.00 23.12 19.79 3n1p s ALA 48 CO 0.25 -0.34 1.62 0.98 0.00 0.00 0.00 175.76 178.27 3n1p n TYR 49 N -1.92 2.49 -0.97 0.00 9.36 -1.26 -1.24 117.16 123.62 3n1p n TYR 49 Ca 0.05 0.20 0.00 0.00 3.32 0.00 0.00 57.90 61.47 3n1p n TYR 49 Cb 0.54 -2.59 0.00 0.00 -0.63 0.00 0.00 39.34 36.66 3n1p n TYR 49 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3n1p n LYS 50 N 3.40 -0.23 -2.94 2.98 4.76 0.40 -5.02 118.16 121.50 3n1p n LYS 50 Ca 0.15 0.06 -0.30 0.00 -2.87 0.00 0.00 58.31 55.35 3n1p n LYS 50 Cb 0.32 -3.18 -0.04 0.00 -1.84 0.00 0.00 35.03 30.29 3n1p n LYS 50 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 3n1p s GLN 51 N -0.28 3.80 0.03 1.97 0.74 -0.37 -4.81 119.66 120.75 3n1p s GLN 51 Ca 0.00 0.46 0.01 0.00 0.05 0.00 0.00 55.36 55.88 3n1p s GLN 51 Cb 0.00 -2.42 -0.02 0.00 1.10 0.00 0.00 33.01 31.66 3n1p s GLN 51 CO 0.00 0.02 -0.05 -0.59 -0.55 0.00 0.00 175.29 174.12 3n1p s PHE 52 N -2.28 0.46 -0.07 1.67 -0.71 -1.26 -1.18 117.98 114.61 3n1p s PHE 52 Ca 0.51 -0.59 -0.03 0.00 -1.04 0.00 0.00 56.93 55.78 3n1p s PHE 52 Cb -0.10 -0.30 0.04 0.00 -1.21 0.00 0.00 43.02 41.45 3n1p s PHE 52 CO 0.29 -0.17 0.15 0.45 -1.34 0.00 0.00 175.22 174.60 3n1p s SER 53 N -1.73 0.18 1.00 1.98 0.15 0.35 -3.77 113.70 111.86 3n1p s SER 53 Ca -0.10 0.31 -0.11 0.00 0.70 0.00 0.00 55.95 56.74 3n1p s SER 53 Cb -0.07 0.21 0.19 0.00 -1.71 0.00 0.00 66.02 64.64 3n1p s SER 53 CO -0.02 -0.18 1.09 -2.84 1.20 0.00 0.00 173.24 172.49 3n1p s PRO 54 N 1.55 0.41 -1.52 5.44 0.02 -1.26 -1.24 135.00 138.39 3n1p s PRO 54 Ca -0.05 1.13 -0.12 0.00 0.02 0.00 0.00 61.00 61.98 3n1p s PRO 54 Cb -0.12 -1.69 -0.02 0.00 0.02 0.00 0.00 34.50 32.69 3n1p s PRO 54 CO -0.06 -2.91 2.56 -1.71 -0.33 0.00 0.00 177.00 174.55 3n1p n ASN 55 N -4.39 6.11 -3.62 2.53 5.15 -1.25 -4.81 115.26 114.99 3n1p n ASN 55 Ca 0.08 -2.71 -0.11 0.00 -0.60 0.00 0.00 54.58 51.24 3n1p n ASN 55 Cb 0.53 -1.60 -0.04 0.00 -0.53 0.00 0.00 39.78 38.14 3n1p n ASN 55 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3n1p s VAL 56 N 2.76 0.06 0.57 3.44 -7.23 -1.26 -5.14 120.40 113.60 3n1p s VAL 56 Ca 0.58 -0.54 -0.19 0.00 -1.81 0.00 0.00 61.98 60.02 3n1p s VAL 56 Cb 0.16 -1.20 -0.06 0.00 0.56 0.00 0.00 36.38 35.84 3n1p s VAL 56 CO -0.07 -0.26 0.92 -2.65 -0.31 0.00 0.00 175.10 172.73 3n1p n PRO 57 N -0.25 0.93 -0.17 4.82 -0.02 -1.26 -4.90 135.00 134.14 3n1p n PRO 57 Ca -0.15 0.35 -0.00 0.00 -2.02 0.00 0.00 63.50 61.68 3n1p n PRO 57 Cb 0.64 -2.10 0.25 0.00 -0.02 0.00 0.00 33.50 32.27 3n1p n PRO 57 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3n1p h GLU 58 N 0.62 0.90 -0.22 -0.52 4.81 -1.95 -2.90 114.58 115.33 3n1p h GLU 58 Ca -0.48 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 58.67 3n1p h GLU 58 Cb 1.36 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.56 3n1p h GLU 58 CO 0.51 0.65 0.00 1.63 -0.73 0.00 0.00 179.01 181.08 3n1p n LYS 59 N -4.39 1.39 -2.66 1.92 4.76 -1.26 -1.27 118.16 116.65 3n1p n LYS 59 Ca 0.07 -0.54 -0.25 0.00 -2.87 0.00 0.00 58.31 54.71 3n1p n LYS 59 Cb 0.09 -1.17 0.02 0.00 -1.84 0.00 0.00 35.03 32.13 3n1p n LYS 59 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3n1p s THR 60 N -1.76 3.93 0.35 -0.18 -4.23 -1.09 -3.29 115.64 109.37 3n1p s THR 60 Ca 0.10 -0.18 0.15 0.00 -1.18 0.00 0.00 61.69 60.58 3n1p s THR 60 Cb 0.05 -3.51 0.11 0.00 1.34 0.00 0.00 72.50 70.50 3n1p s THR 60 CO 0.06 -0.45 1.83 -0.07 -0.54 0.00 0.00 174.62 175.45 3n1p h LEU 61 N 0.10 0.00 0.00 4.79 3.38 -1.89 -0.11 115.31 121.58 3n1p h LEU 61 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 3n1p h LEU 61 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 3n1p h LEU 61 CO 0.59 0.36 0.00 0.61 0.09 0.00 0.00 178.44 180.09 3n1p n GLY 62 N -0.39 -1.08 0.00 0.83 0.00 -1.26 -4.65 105.19 98.64 3n1p n GLY 62 Ca -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3n1p n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n1p n ALA 63 N -1.27 0.00 0.28 4.61 0.00 -0.76 -4.79 120.51 118.58 3n1p n ALA 63 Ca 0.12 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.62 3n1p n ALA 63 Cb 0.19 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.56 3n1p n ALA 63 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3n1p n SER 64 N 0.00 1.37 0.00 0.00 7.64 -0.39 -4.63 113.62 117.60 3n1p n SER 64 Ca 0.00 -0.40 0.00 0.00 1.01 0.00 0.00 58.87 59.48 3n1p n SER 64 Cb 0.00 1.28 0.00 0.00 -1.01 0.00 0.00 64.21 64.48 3n1p n SER 64 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3n1p n GLY 65 N 1.54 -0.24 3.84 0.23 0.00 -0.12 -3.84 105.19 106.59 3n1p n GLY 65 Ca 0.00 -1.88 -0.30 0.00 0.00 0.00 0.00 46.02 43.84 3n1p n GLY 65 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3n1p s ARG 66 N -1.07 2.50 0.02 1.61 0.52 -1.21 -4.13 118.95 117.19 3n1p s ARG 66 Ca 0.00 0.56 -0.30 0.00 -0.52 0.00 0.00 55.73 55.47 3n1p s ARG 66 Cb 0.00 -1.97 -0.04 0.00 0.52 0.00 0.00 34.95 33.46 3n1p s ARG 66 CO 0.00 -1.31 1.01 -0.47 0.02 0.00 0.00 175.30 174.54 3n1p s TYR 67 N -3.26 3.65 -1.65 -0.53 5.04 -1.26 -4.96 117.35 114.38 3n1p s TYR 67 Ca 0.59 1.66 0.15 0.00 -2.44 0.00 0.00 57.07 57.04 3n1p s TYR 67 Cb -0.13 -3.15 0.06 0.00 0.35 0.00 0.00 41.96 39.09 3n1p s TYR 67 CO 0.53 -0.15 0.90 0.39 -1.34 0.00 0.00 175.55 175.88 3n1p n GLU 68 N 3.80 1.49 0.00 4.97 1.02 -1.26 -5.07 120.64 125.58 3n1p n GLU 68 Ca 0.06 -1.09 0.00 0.00 -0.02 0.00 0.00 57.16 56.11 3n1p n GLU 68 Cb 0.50 -1.27 0.00 0.00 -0.02 0.00 0.00 31.44 30.66 3n1p n GLU 68 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3n1p n GLY 69 N 1.00 3.91 3.68 0.62 0.00 -1.26 -5.07 105.19 108.07 3n1p n GLY 69 Ca 0.08 -1.58 -0.42 0.00 0.00 0.00 0.00 46.02 44.09 3n1p n GLY 69 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3n1p s LYS 70 N -3.73 4.37 -0.32 1.61 2.20 -1.26 -4.66 119.74 117.95 3n1p s LYS 70 Ca 0.00 1.31 -0.20 0.00 -0.36 0.00 0.00 55.97 56.72 3n1p s LYS 70 Cb 0.00 -3.57 -0.01 0.00 -1.51 0.00 0.00 37.83 32.75 3n1p s LYS 70 CO 0.00 -0.38 0.63 0.42 -0.36 0.00 0.00 175.35 175.66 3n1p s ILE 71 N 2.26 4.93 0.55 5.43 1.01 -0.33 -4.98 121.20 130.06 3n1p s ILE 71 Ca 0.45 0.80 0.09 0.00 0.00 0.00 0.00 60.65 61.99 3n1p s ILE 71 Cb -0.17 -4.02 0.07 0.00 0.01 0.00 0.00 42.46 38.35 3n1p s ILE 71 CO 0.14 -0.18 0.68 0.00 0.00 0.00 0.00 174.94 175.59 3n1p s ALA 72 N 2.63 4.62 0.25 9.38 0.00 -1.26 -4.83 121.76 132.55 3n1p s ALA 72 Ca 0.25 -1.92 -0.04 0.00 0.00 0.00 0.00 51.96 50.25 3n1p s ALA 72 Cb -0.15 -1.31 0.29 0.00 0.00 0.00 0.00 23.12 21.96 3n1p s ALA 72 CO 0.12 -0.71 1.81 0.00 0.00 0.00 0.00 175.76 176.99 3n1p h ARG 73 N 0.36 1.03 0.00 0.00 3.08 -1.98 -2.58 114.38 114.29 3n1p h ARG 73 Ca -0.32 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 59.54 3n1p h ARG 73 Cb 1.29 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.17 3n1p h ARG 73 CO 0.45 0.85 0.00 0.66 -1.07 0.00 0.00 179.97 180.86 3n1p h SER 74 N 1.00 0.00 -3.55 7.04 4.64 -2.01 -3.45 113.55 117.22 3n1p h SER 74 Ca 0.23 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 61.02 3n1p h SER 74 Cb 0.22 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 62.40 3n1p h SER 74 CO -0.02 0.00 0.84 -0.44 -0.87 0.00 0.00 176.83 176.34 3n1p s SER 75 N -5.86 6.39 0.45 4.97 0.01 -0.97 -4.89 113.70 113.80 3n1p s SER 75 Ca 0.04 2.96 0.17 0.00 1.31 0.00 0.00 55.95 60.43 3n1p s SER 75 Cb 0.07 -2.65 1.11 0.00 0.21 0.00 0.00 66.02 64.77 3n1p s SER 75 CO 0.59 -0.88 1.96 -0.08 0.41 0.00 0.00 173.24 175.25 3n1p h GLU 76 N 4.20 0.32 -0.00 12.44 4.81 -1.88 -0.67 114.58 133.79 3n1p h GLU 76 Ca -0.48 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 3n1p h GLU 76 Cb 1.23 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.54 3n1p h GLU 76 CO 0.74 0.21 -0.03 0.54 -0.73 0.00 0.00 179.01 179.74 3n1p n ARG 77 N -4.46 0.40 0.08 1.92 1.74 -1.26 -3.54 116.66 111.55 3n1p n ARG 77 Ca 0.11 -0.03 0.15 0.00 -0.77 0.00 0.00 57.85 57.31 3n1p n ARG 77 Cb 0.48 -1.50 0.65 0.00 -1.02 0.00 0.00 32.46 31.07 3n1p n ARG 77 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 3n1p h PHE 78 N 0.08 0.05 0.00 -1.55 3.57 -1.33 0.34 116.94 118.10 3n1p h PHE 78 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3n1p h PHE 78 Cb 0.33 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.05 3n1p h PHE 78 CO 0.00 0.02 0.00 1.63 -2.23 0.00 0.00 178.31 177.73 3n1p n LYS 79 N -4.44 0.28 0.00 1.11 4.01 -1.23 -1.94 118.16 115.94 3n1p n LYS 79 Ca 0.05 0.10 0.14 0.00 -0.51 0.00 0.00 58.31 58.09 3n1p n LYS 79 Cb 0.40 -1.50 0.58 0.00 -0.51 0.00 0.00 35.03 34.00 3n1p n LYS 79 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 3n1p n GLU 80 N -1.28 0.89 -3.52 1.97 1.02 0.11 -4.77 120.64 115.05 3n1p n GLU 80 Ca 0.09 -0.38 -0.40 0.00 -0.02 0.00 0.00 57.16 56.46 3n1p n GLU 80 Cb 0.16 -1.49 -0.10 0.00 -0.02 0.00 0.00 31.44 29.98 3n1p n GLU 80 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3n1p s LEU 81 N -2.37 4.33 -0.09 -4.62 1.43 -0.82 -4.53 118.68 112.02 3n1p s LEU 81 Ca 0.31 -0.23 -0.10 0.00 -1.03 0.00 0.00 54.13 53.09 3n1p s LEU 81 Cb 0.20 -2.18 -0.05 0.00 0.03 0.00 0.00 46.19 44.20 3n1p s LEU 81 CO 0.45 -0.19 0.22 0.42 0.23 0.00 0.00 176.35 177.49 3n1p s THR 82 N 1.80 5.36 0.31 5.49 -4.23 -0.37 -4.79 115.64 119.20 3n1p s THR 82 Ca 0.08 0.41 -0.29 0.00 -1.18 0.00 0.00 61.69 60.71 3n1p s THR 82 Cb -0.17 -3.50 -0.10 0.00 1.34 0.00 0.00 72.50 70.07 3n1p s THR 82 CO 0.11 0.60 1.16 -2.84 -0.54 0.00 0.00 174.62 173.11 3n1p s PRO 83 N -0.96 4.48 -0.37 3.99 0.02 -1.26 -2.26 135.00 138.64 3n1p s PRO 83 Ca 0.17 1.92 -0.15 0.00 0.02 0.00 0.00 61.00 62.96 3n1p s PRO 83 Cb -0.13 -3.08 -0.00 0.00 0.02 0.00 0.00 34.50 31.31 3n1p s PRO 83 CO 0.07 0.03 0.33 1.21 -0.33 0.00 0.00 177.00 178.31 3n1p s ASN 84 N -0.82 6.14 -0.43 2.53 3.84 0.19 -4.94 114.94 121.45 3n1p s ASN 84 Ca 0.48 -0.49 0.04 0.00 0.21 0.00 0.00 52.86 53.09 3n1p s ASN 84 Cb -0.34 -2.18 0.47 0.00 -0.55 0.00 0.00 41.25 38.66 3n1p s ASN 84 CO 0.44 -0.37 1.56 -1.22 -2.79 0.00 0.00 177.10 174.71 3n1p n TYR 85 N 5.30 2.65 -1.90 0.43 4.01 -1.26 -4.78 117.16 121.61 3n1p n TYR 85 Ca -0.10 -2.40 -0.42 0.00 -0.16 0.00 0.00 57.90 54.82 3n1p n TYR 85 Cb 0.49 -0.78 -0.03 0.00 -0.31 0.00 0.00 39.34 38.71 3n1p n TYR 85 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 3n1p s ASN 86 N -2.73 6.57 0.51 7.72 3.84 -1.26 -4.89 114.94 124.70 3n1p s ASN 86 Ca 0.55 2.57 0.29 0.00 0.21 0.00 0.00 52.86 56.48 3n1p s ASN 86 Cb 0.45 -2.57 1.33 0.00 -0.55 0.00 0.00 41.25 39.91 3n1p s ASN 86 CO 0.02 -0.89 1.99 -0.65 -2.79 0.00 0.00 177.10 174.78 3n1p h PRO 87 N 7.87 0.00 -0.66 0.43 0.11 -2.04 -2.99 132.00 134.71 3n1p h PRO 87 Ca -0.43 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.49 3n1p h PRO 87 Cb 1.20 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.20 3n1p h PRO 87 CO 0.93 0.12 0.22 -0.25 -0.21 0.00 0.00 178.00 178.81 3n1p n ASP 88 N -3.39 4.57 -3.99 -2.05 8.00 -1.26 -4.83 116.55 113.60 3n1p n ASP 88 Ca -0.01 -3.25 -0.27 0.00 0.71 0.00 0.00 54.79 51.97 3n1p n ASP 88 Cb 0.30 -0.72 -0.17 0.00 -0.02 0.00 0.00 41.12 40.52 3n1p n ASP 88 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3n1p s ILE 89 N -3.00 1.24 -0.31 0.53 1.01 -1.13 -4.16 121.20 115.38 3n1p s ILE 89 Ca 0.53 -0.47 -0.21 0.00 0.00 0.00 0.00 60.65 60.50 3n1p s ILE 89 Cb 0.43 -1.17 -0.01 0.00 0.01 0.00 0.00 42.46 41.72 3n1p s ILE 89 CO 0.12 0.39 0.69 -0.63 0.00 0.00 0.00 174.94 175.51 3n1p s ILE 90 N 1.20 4.89 -0.24 2.92 1.01 -0.26 -4.87 121.20 125.85 3n1p s ILE 90 Ca -0.04 0.97 -0.10 0.00 0.00 0.00 0.00 60.65 61.49 3n1p s ILE 90 Cb -0.14 -4.05 -0.05 0.00 0.01 0.00 0.00 42.46 38.23 3n1p s ILE 90 CO -0.03 -0.18 0.13 -0.36 0.00 0.00 0.00 174.94 174.50 3n1p s PHE 91 N 2.73 3.26 0.11 3.97 0.08 -1.26 -0.26 117.98 126.60 3n1p s PHE 91 Ca 0.28 0.09 -0.24 0.00 0.12 0.00 0.00 56.93 57.17 3n1p s PHE 91 Cb -0.15 -2.24 -0.08 0.00 -0.57 0.00 0.00 43.02 39.98 3n1p s PHE 91 CO 0.12 -0.01 1.68 -0.22 -0.10 0.00 0.00 175.22 176.69 3n1p h LYS 92 N 7.58 -0.25 -6.90 0.44 3.64 -1.16 -3.46 116.57 116.44 3n1p h LYS 92 Ca -0.37 0.02 -0.58 0.00 -1.27 0.00 0.00 60.65 58.44 3n1p h LYS 92 Cb 1.17 0.06 -0.16 0.00 -0.41 0.00 0.00 32.23 32.89 3n1p h LYS 92 CO 0.64 -0.17 -0.95 -3.47 -2.27 0.00 0.00 179.45 173.23 3n1p n ASP 93 N -5.28 0.38 0.00 4.20 2.03 -1.26 -4.79 116.55 111.84 3n1p n ASP 93 Ca -0.06 -1.20 0.09 0.00 0.52 0.00 0.00 54.79 54.15 3n1p n ASP 93 Cb 0.19 -2.03 0.44 0.00 -0.72 0.00 0.00 41.12 39.00 3n1p n ASP 93 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 3n1p n GLU 94 N -4.55 0.10 0.13 -0.67 0.00 -1.26 -2.19 120.64 112.20 3n1p n GLU 94 Ca -0.32 0.15 0.06 0.00 0.00 0.00 0.00 57.16 57.05 3n1p n GLU 94 Cb 0.69 -1.50 0.04 0.00 0.00 0.00 0.00 31.44 30.67 3n1p n GLU 94 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 3n1p h GLU 95 N 0.00 0.00 -1.96 3.44 3.07 -2.00 -3.48 114.58 113.65 3n1p h GLU 95 Ca 0.00 0.00 -0.29 0.00 -0.50 0.00 0.00 59.36 58.57 3n1p h GLU 95 Cb 0.28 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.17 3n1p h GLU 95 CO 0.00 0.23 -0.36 0.09 -1.40 0.00 0.00 179.01 177.57 3n1p n ASN 96 N -3.03 -4.43 -0.00 1.42 3.02 -0.93 -4.87 115.26 106.44 3n1p n ASN 96 Ca -0.00 0.01 0.01 0.00 -0.03 0.00 0.00 54.58 54.57 3n1p n ASN 96 Cb 0.67 -3.56 -0.01 0.00 -0.61 0.00 0.00 39.78 36.27 3n1p n ASN 96 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3n1p n THR 97 N -3.91 0.00 -1.54 3.41 -2.24 -1.26 -5.00 114.28 103.74 3n1p n THR 97 Ca -0.17 -0.43 -0.12 0.00 -2.27 0.00 0.00 64.05 61.06 3n1p n THR 97 Cb 0.62 0.96 -0.04 0.00 -2.10 0.00 0.00 70.33 69.76 3n1p n THR 97 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3n1p n GLY 98 N 1.15 1.04 0.28 3.38 0.00 -1.26 -4.89 105.19 104.88 3n1p n GLY 98 Ca 0.00 -0.43 0.01 0.00 0.00 0.00 0.00 46.02 45.60 3n1p n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n1p h ALA 99 N 0.12 1.48 -0.55 4.61 0.00 -1.94 -2.68 119.26 120.29 3n1p h ALA 99 Ca -0.26 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.52 3n1p h ALA 99 Cb 0.89 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 3n1p h ALA 99 CO 0.37 0.38 0.37 -0.44 0.00 0.00 0.00 179.25 179.92 3n1p h ASP 100 N 0.47 0.56 0.99 0.00 3.32 -1.91 -0.87 116.42 118.98 3n1p h ASP 100 Ca 0.11 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.15 3n1p h ASP 100 Cb 0.24 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3n1p h ASP 100 CO 0.00 0.39 0.00 0.03 -1.72 0.00 0.00 179.24 177.94 3n1p h ARG 101 N 0.65 0.00 -6.25 3.56 3.08 -1.78 -3.36 114.38 110.28 3n1p h ARG 101 Ca 0.22 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.71 3n1p h ARG 101 Cb 0.08 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 3n1p h ARG 101 CO -0.06 0.00 0.68 -0.51 -1.07 0.00 0.00 179.97 179.02 3n1p s LEU 102 N -6.01 4.24 0.00 3.04 1.43 -0.33 0.55 118.68 121.60 3n1p s LEU 102 Ca 0.01 1.66 -0.14 0.00 -1.03 0.00 0.00 54.13 54.64 3n1p s LEU 102 Cb 0.09 -3.55 0.05 0.00 0.03 0.00 0.00 46.19 42.81 3n1p s LEU 102 CO 0.53 -0.56 0.73 1.15 0.23 0.00 0.00 176.35 178.42 3n1p n MET 103 N 5.38 0.87 -3.04 1.70 0.00 -0.96 -1.98 117.12 119.10 3n1p n MET 103 Ca 0.11 -1.74 -0.25 0.00 0.00 0.00 0.00 57.70 55.81 3n1p n MET 103 Cb 0.47 2.21 -0.01 0.00 0.00 0.00 0.00 33.22 35.89 3n1p n MET 103 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 3n1p s THR 104 N -2.21 4.93 0.44 3.17 -4.23 -0.86 -1.24 115.64 115.64 3n1p s THR 104 Ca 0.15 -0.19 0.15 0.00 -1.18 0.00 0.00 61.69 60.63 3n1p s THR 104 Cb -0.04 -3.83 0.34 0.00 1.34 0.00 0.00 72.50 70.31 3n1p s THR 104 CO 0.09 -0.66 1.96 -0.61 -0.54 0.00 0.00 174.62 174.85 3n1p h GLN 105 N 0.50 0.37 0.01 3.99 5.75 -1.92 0.31 115.11 124.12 3n1p h GLN 105 Ca -0.48 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 57.99 3n1p h GLN 105 Cb 1.22 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 29.68 3n1p h GLN 105 CO 0.61 0.24 -0.01 -0.09 -2.65 0.00 0.00 178.83 176.94 3n1p h ARG 106 N 0.38 -0.02 -0.42 1.69 2.43 -1.95 -1.47 114.38 115.02 3n1p h ARG 106 Ca 0.31 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.57 3n1p h ARG 106 Cb 0.68 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.21 3n1p h ARG 106 CO -0.08 0.65 0.29 0.00 -1.51 0.00 0.00 179.97 179.32 3n1p h LYS 108 N 0.17 0.56 -0.11 0.00 3.64 -0.30 -1.17 116.57 119.35 3n1p h LYS 108 Ca 0.19 -0.39 -0.01 0.00 -1.27 0.00 0.00 60.65 59.17 3n1p h LYS 108 Cb 0.55 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.43 3n1p h LYS 108 CO -0.03 1.01 0.01 -0.44 -2.27 0.00 0.00 179.45 177.73 3n1p h ASP 109 N 0.20 0.17 -0.95 4.20 3.32 -0.61 0.11 116.42 122.86 3n1p h ASP 109 Ca -0.01 -0.27 -0.01 0.00 0.02 0.00 0.00 57.03 56.77 3n1p h ASP 109 Cb 1.03 -0.05 -0.05 0.00 0.22 0.00 0.00 39.33 40.49 3n1p h ASP 109 CO 0.09 0.40 0.57 0.03 -1.72 0.00 0.00 179.24 178.61 3n1p h ARG 110 N -0.06 1.29 -0.08 3.56 -0.00 -1.34 -2.46 114.38 115.30 3n1p h ARG 110 Ca 0.03 -0.12 -0.02 0.00 -0.50 0.00 0.00 59.98 59.37 3n1p h ARG 110 Cb 0.30 -0.27 -0.00 0.00 0.00 0.00 0.00 29.97 30.00 3n1p h ARG 110 CO 0.00 0.90 -0.05 1.25 0.00 0.00 0.00 179.97 182.08 3n1p h LEU 111 N 1.31 0.17 -1.84 3.04 5.85 -1.09 -2.75 115.31 120.00 3n1p h LEU 111 Ca 0.34 -0.43 0.05 0.00 0.84 0.00 0.00 57.88 58.68 3n1p h LEU 111 Cb -0.05 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 3n1p h LEU 111 CO -0.06 0.57 0.22 0.78 -0.34 0.00 0.00 178.44 179.60 3n1p h ASN 112 N -0.22 0.17 1.07 1.25 2.35 -0.60 -1.06 115.58 118.54 3n1p h ASN 112 Ca 0.02 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 3n1p h ASN 112 Cb 0.51 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.84 3n1p h ASN 112 CO 0.01 0.12 -0.68 0.77 -1.65 0.00 0.00 177.43 176.00 3n1p h SER 113 N 0.20 0.00 0.62 5.81 4.64 -1.46 -3.23 113.55 120.13 3n1p h SER 113 Ca 0.14 -0.10 -0.17 0.00 -0.47 0.00 0.00 61.79 61.19 3n1p h SER 113 Cb 0.31 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.39 3n1p h SER 113 CO -0.02 0.05 -0.77 0.25 -0.87 0.00 0.00 176.83 175.46 3n1p h LEU 114 N 0.00 0.14 -1.43 5.97 5.85 -0.91 -2.57 115.31 122.37 3n1p h LEU 114 Ca 0.00 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 3n1p h LEU 114 Cb 0.87 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.84 3n1p h LEU 114 CO 0.00 0.86 0.19 0.00 -0.34 0.00 0.00 178.44 179.15 3n1p h ALA 115 N 1.14 1.56 -0.04 1.25 0.00 -1.38 0.38 119.26 122.16 3n1p h ALA 115 Ca -0.02 -0.10 -0.25 0.00 0.00 0.00 0.00 54.91 54.54 3n1p h ALA 115 Cb 1.36 -0.17 0.02 0.00 0.00 0.00 0.00 17.79 18.99 3n1p h ALA 115 CO 0.11 0.35 -0.96 0.82 0.00 0.00 0.00 179.25 179.58 3n1p h ILE 116 N 0.58 1.29 -0.56 0.00 2.04 -1.63 -2.98 117.51 116.25 3n1p h ILE 116 Ca 0.15 -2.19 -0.03 0.00 1.00 0.00 0.00 64.86 63.79 3n1p h ILE 116 Cb 0.08 2.27 -0.03 0.00 -0.74 0.00 0.00 36.82 38.40 3n1p h ILE 116 CO -0.02 0.68 0.24 -1.28 0.00 0.00 0.00 178.15 177.77 3n1p h SER 117 N 0.42 0.72 -0.08 1.72 0.87 -0.93 -1.87 113.55 114.41 3n1p h SER 117 Ca -0.10 -0.08 -0.12 0.00 -1.23 0.00 0.00 61.79 60.25 3n1p h SER 117 Cb 1.60 -0.19 0.01 0.00 -0.44 0.00 0.00 62.40 63.38 3n1p h SER 117 CO 0.19 0.64 -0.42 0.58 -0.53 0.00 0.00 176.83 177.29 3n1p h VAL 118 N 0.80 1.40 -0.12 2.23 2.07 -0.98 -2.21 116.25 119.43 3n1p h VAL 118 Ca 0.19 -1.79 -0.06 0.00 0.82 0.00 0.00 66.70 65.87 3n1p h VAL 118 Cb 0.13 2.27 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 3n1p h VAL 118 CO -0.02 0.53 -0.20 0.24 0.02 0.00 0.00 177.57 178.14 3n1p h MET 119 N -0.02 0.20 0.00 1.57 2.86 -1.43 -0.60 114.93 117.52 3n1p h MET 119 Ca -0.03 -0.06 -0.12 0.00 -2.06 0.00 0.00 59.70 57.43 3n1p h MET 119 Cb 1.07 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.69 3n1p h MET 119 CO 0.09 0.40 -0.59 -0.97 1.06 0.00 0.00 176.91 176.90 3n1p h ASN 120 N 0.19 0.00 0.01 1.22 -1.24 -1.32 -2.58 115.58 111.86 3n1p h ASN 120 Ca 0.03 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.04 3n1p h ASN 120 Cb 0.47 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.52 3n1p h ASN 120 CO 0.03 0.59 -0.00 -0.61 -1.29 0.00 0.00 177.43 176.14 3n1p h GLN 121 N 0.00 -0.01 -2.80 6.67 5.75 -0.89 -3.06 115.11 120.77 3n1p h GLN 121 Ca -0.01 0.00 -0.61 0.00 -0.15 0.00 0.00 58.65 57.88 3n1p h GLN 121 Cb 1.20 0.00 -0.41 0.00 1.07 0.00 0.00 27.48 29.34 3n1p h GLN 121 CO 0.08 0.75 -0.63 0.91 -2.65 0.00 0.00 178.83 177.28 3n1p n TRP 122 N -4.66 2.80 -1.70 3.99 8.01 -0.28 -4.65 117.44 120.95 3n1p n TRP 122 Ca -0.08 -4.16 -0.57 0.00 -1.31 0.00 0.00 57.50 51.38 3n1p n TRP 122 Cb 0.37 -0.51 -0.07 0.00 -2.01 0.00 0.00 31.31 29.08 3n1p n TRP 122 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.69 174.38 3n1p n PRO 123 N 1.81 1.12 0.00 -0.99 -0.02 -0.97 -0.23 135.00 135.72 3n1p n PRO 123 Ca 0.23 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 3n1p n PRO 123 Cb 0.38 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 3n1p n PRO 123 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3n1p n GLY 124 N 4.04 0.64 3.17 -1.23 0.00 -1.26 -5.09 105.19 105.46 3n1p n GLY 124 Ca 0.26 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.00 3n1p n GLY 124 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3n1p s VAL 125 N -2.00 1.64 0.30 1.61 1.01 0.68 -5.03 120.40 118.60 3n1p s VAL 125 Ca 0.00 -0.82 0.09 0.00 0.00 0.00 0.00 61.98 61.24 3n1p s VAL 125 Cb 0.00 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 3n1p s VAL 125 CO 0.00 0.46 0.07 -0.54 0.00 0.00 0.00 175.10 175.09 3n1p s LYS 126 N 0.04 2.36 0.22 2.72 1.02 -1.26 -3.80 119.74 121.03 3n1p s LYS 126 Ca -0.05 -1.46 -0.30 0.00 0.02 0.00 0.00 55.97 54.18 3n1p s LYS 126 Cb -0.13 -2.19 -0.08 0.00 -0.52 0.00 0.00 37.83 34.91 3n1p s LYS 126 CO 0.03 0.26 1.11 -1.17 -0.92 0.00 0.00 175.35 174.66 3n1p s LEU 127 N -3.75 4.51 -0.05 3.17 2.96 -1.26 -1.51 118.68 122.75 3n1p s LEU 127 Ca 0.34 2.17 0.05 0.00 -0.22 0.00 0.00 54.13 56.47 3n1p s LEU 127 Cb -0.05 -3.61 -0.01 0.00 0.50 0.00 0.00 46.19 43.02 3n1p s LEU 127 CO 0.21 -0.20 -0.22 -0.60 -1.32 0.00 0.00 176.35 174.22 3n1p s ARG 128 N -0.74 2.28 -0.18 1.98 3.52 -0.58 -1.10 118.95 124.13 3n1p s ARG 128 Ca 0.48 -0.78 -0.04 0.00 -0.13 0.00 0.00 55.73 55.25 3n1p s ARG 128 Cb -0.31 -1.93 -0.02 0.00 -1.56 0.00 0.00 34.95 31.13 3n1p s ARG 128 CO 0.37 0.31 -0.02 0.08 -0.81 0.00 0.00 175.30 175.23 3n1p s VAL 129 N -0.04 3.88 -0.04 7.11 1.01 0.64 -0.76 120.40 132.20 3n1p s VAL 129 Ca -0.05 -0.35 0.18 0.00 0.00 0.00 0.00 61.98 61.76 3n1p s VAL 129 Cb -0.13 -2.73 -0.27 0.00 0.00 0.00 0.00 36.38 33.25 3n1p s VAL 129 CO 0.03 0.46 0.36 0.35 0.00 0.00 0.00 175.10 176.31 3n1p n THR 130 N 3.90 0.09 -3.67 3.92 -2.24 0.77 -0.57 114.28 116.48 3n1p n THR 130 Ca -0.17 -0.43 -0.08 0.00 -2.27 0.00 0.00 64.05 61.10 3n1p n THR 130 Cb 0.52 0.04 -0.09 0.00 -2.10 0.00 0.00 70.33 68.70 3n1p n THR 130 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3n1p s GLU 131 N -3.17 0.45 0.00 -0.78 0.41 -1.13 -4.80 118.70 109.68 3n1p s GLU 131 Ca -0.07 1.04 0.00 0.00 -0.41 0.00 0.00 54.97 55.53 3n1p s GLU 131 Cb 0.11 0.25 0.00 0.00 -1.78 0.00 0.00 34.13 32.71 3n1p s GLU 131 CO 0.73 -0.19 0.00 0.41 -0.49 0.00 0.00 175.26 175.72 3n1p n GLY 132 N 4.82 1.56 3.74 -1.39 0.00 -1.26 -0.73 105.19 111.93 3n1p n GLY 132 Ca -0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 3n1p n GLY 132 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3n1p s TRP 133 N 3.81 2.24 0.01 1.61 -0.00 -0.84 -4.74 118.94 121.04 3n1p s TRP 133 Ca 0.00 1.42 0.03 0.00 -0.00 0.00 0.00 56.10 57.55 3n1p s TRP 133 Cb 0.00 -3.74 -0.01 0.00 -0.00 0.00 0.00 33.47 29.72 3n1p s TRP 133 CO 0.00 -2.83 -0.11 0.34 -0.00 0.00 0.00 176.95 174.35 3n1p s ASP 134 N -1.14 1.28 -0.01 5.86 2.15 -0.39 -4.34 116.67 120.09 3n1p s ASP 134 Ca 0.75 -0.29 0.01 0.00 0.43 0.00 0.00 52.55 53.45 3n1p s ASP 134 Cb -0.39 -0.11 0.01 0.00 -0.30 0.00 0.00 42.92 42.14 3n1p s ASP 134 CO 0.44 0.07 0.74 -1.84 -0.17 0.00 0.00 175.17 174.41 3n1p n GLU 135 N 2.46 0.27 0.04 4.34 0.28 -1.26 -4.52 120.64 122.26 3n1p n GLU 135 Ca -0.16 -0.84 -0.18 0.00 -0.16 0.00 0.00 57.16 55.82 3n1p n GLU 135 Cb 0.56 -0.58 -0.14 0.00 1.43 0.00 0.00 31.44 32.70 3n1p n GLU 135 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 3n1p h ASP 136 N 0.00 0.41 0.00 -1.84 3.32 -2.01 -3.49 116.42 112.80 3n1p h ASP 136 Ca 0.00 -0.67 0.00 0.00 0.02 0.00 0.00 57.03 56.38 3n1p h ASP 136 Cb 1.10 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.52 3n1p h ASP 136 CO 0.00 1.57 0.00 0.61 -1.72 0.00 0.00 179.24 179.70 3n1p n GLY 137 N 1.78 1.33 0.96 2.75 0.00 -1.26 -4.98 105.19 105.76 3n1p n GLY 137 Ca -0.22 -0.27 0.09 0.00 0.00 0.00 0.00 46.02 45.62 3n1p n GLY 137 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3n1p n HIS 138 N -1.98 0.65 -3.81 1.61 1.44 -1.26 -4.91 115.22 106.95 3n1p n HIS 138 Ca 0.00 -0.32 -0.35 0.00 -2.01 0.00 0.00 57.72 55.03 3n1p n HIS 138 Cb 0.10 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.15 3n1p n HIS 138 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 3n1p s HIS 139 N -1.35 3.59 0.20 -1.40 3.76 -1.26 -5.05 115.29 113.79 3n1p s HIS 139 Ca 0.36 0.54 -0.32 0.00 -0.15 0.00 0.00 55.06 55.49 3n1p s HIS 139 Cb 0.19 -1.96 -0.14 0.00 1.11 0.00 0.00 32.58 31.77 3n1p s HIS 139 CO 0.25 0.67 1.37 -1.13 -0.85 0.00 0.00 174.74 175.05 3n1p n SER 140 N 1.46 2.39 -4.52 1.40 3.41 -1.26 -4.83 113.62 111.67 3n1p n SER 140 Ca -0.15 1.13 -0.44 0.00 -0.26 0.00 0.00 58.87 59.15 3n1p n SER 140 Cb 0.54 -1.36 -0.01 0.00 -0.26 0.00 0.00 64.21 63.11 3n1p n SER 140 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3n1p n GLU 141 N 2.17 0.87 -1.84 4.33 1.02 -1.26 -1.46 120.64 124.47 3n1p n GLU 141 Ca 0.13 0.31 -0.08 0.00 -0.02 0.00 0.00 57.16 57.51 3n1p n GLU 141 Cb 0.29 -1.60 -0.01 0.00 -0.02 0.00 0.00 31.44 30.09 3n1p n GLU 141 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3n1p n GLU 142 N 0.70 -0.58 -2.62 3.49 1.02 -1.26 -5.02 120.64 116.37 3n1p n GLU 142 Ca 0.12 0.50 -0.41 0.00 -0.02 0.00 0.00 57.16 57.35 3n1p n GLU 142 Cb 0.33 -4.39 -0.05 0.00 -0.02 0.00 0.00 31.44 27.32 3n1p n GLU 142 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3n1p s SER 143 N -2.74 7.42 0.00 1.62 0.15 -0.54 -4.88 113.70 114.74 3n1p s SER 143 Ca 0.00 2.02 0.16 0.00 0.70 0.00 0.00 55.95 58.84 3n1p s SER 143 Cb 0.00 -2.61 0.91 0.00 -1.71 0.00 0.00 66.02 62.61 3n1p s SER 143 CO 0.00 -0.07 1.44 0.18 1.20 0.00 0.00 173.24 175.99 3n1p n LEU 144 N 1.98 0.00 0.07 3.45 4.77 -1.26 -1.87 117.00 124.14 3n1p n LEU 144 Ca 0.01 0.14 -0.06 0.00 -0.03 0.00 0.00 56.01 56.07 3n1p n LEU 144 Cb 0.47 -0.14 0.11 0.00 -2.33 0.00 0.00 43.42 41.52 3n1p n LEU 144 CO 0.52 -0.07 0.47 0.45 -1.33 0.00 0.00 177.39 177.44 3n1p h HIS 145 N 0.00 0.38 0.00 -1.77 3.86 -1.85 -0.61 115.15 115.16 3n1p h HIS 145 Ca 0.00 -0.14 0.00 0.00 -1.16 0.00 0.00 60.37 59.07 3n1p h HIS 145 Cb 0.07 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.48 3n1p h HIS 145 CO 0.00 0.82 0.00 0.66 0.86 0.00 0.00 177.93 180.27 3n1p n TYR 146 N -3.88 0.00 -0.10 2.45 4.01 -0.78 -1.26 117.16 117.59 3n1p n TYR 146 Ca -0.03 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.75 3n1p n TYR 146 Cb 0.62 -0.41 0.09 0.00 -0.31 0.00 0.00 39.34 39.33 3n1p n TYR 146 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3n1p n GLU 147 N -1.41 2.91 -2.47 -0.72 1.02 -1.14 -1.19 120.64 117.64 3n1p n GLU 147 Ca 0.06 -1.82 -0.17 0.00 -0.02 0.00 0.00 57.16 55.21 3n1p n GLU 147 Cb 0.18 -1.16 -0.01 0.00 -0.02 0.00 0.00 31.44 30.43 3n1p n GLU 147 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3n1p n GLY 148 N 0.11 -0.50 0.77 0.62 0.00 -0.75 -4.76 105.19 100.68 3n1p n GLY 148 Ca 0.07 0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.17 3n1p n GLY 148 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3n1p n ARG 149 N -2.98 2.13 -4.07 1.61 1.74 -0.26 -2.04 116.66 112.80 3n1p n ARG 149 Ca -0.19 -1.91 -0.08 0.00 -0.77 0.00 0.00 57.85 54.90 3n1p n ARG 149 Cb 0.65 -1.34 -0.10 0.00 -1.02 0.00 0.00 32.46 30.65 3n1p n ARG 149 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3n1p s ALA 150 N -1.11 0.45 -0.03 7.54 0.00 -1.09 -1.12 121.76 126.41 3n1p s ALA 150 Ca 0.26 -1.02 -0.03 0.00 0.00 0.00 0.00 51.96 51.16 3n1p s ALA 150 Cb 0.15 0.21 0.01 0.00 0.00 0.00 0.00 23.12 23.49 3n1p s ALA 150 CO 0.21 -0.28 0.09 0.14 0.00 0.00 0.00 175.76 175.92 3n1p s VAL 151 N -3.04 0.01 -0.27 0.00 -7.23 0.70 -4.32 120.40 106.24 3n1p s VAL 151 Ca 0.00 -0.07 -0.12 0.00 -1.81 0.00 0.00 61.98 59.98 3n1p s VAL 151 Cb 0.02 -0.16 -0.05 0.00 0.56 0.00 0.00 36.38 36.75 3n1p s VAL 151 CO -0.06 -0.04 0.26 -1.81 -0.31 0.00 0.00 175.10 173.14 3n1p s ASP 152 N -0.08 6.12 0.14 4.85 1.01 0.09 -1.16 116.67 127.65 3n1p s ASP 152 Ca -0.01 0.12 0.09 0.00 0.71 0.00 0.00 52.55 53.46 3n1p s ASP 152 Cb -0.01 -2.15 -0.04 0.00 1.01 0.00 0.00 42.92 41.72 3n1p s ASP 152 CO 0.00 -0.09 -0.22 0.27 0.21 0.00 0.00 175.17 175.34 3n1p s ILE 153 N 1.82 1.96 0.09 0.77 -4.36 0.09 -0.16 121.20 121.40 3n1p s ILE 153 Ca 0.10 -1.79 0.01 0.00 -0.26 0.00 0.00 60.65 58.71 3n1p s ILE 153 Cb -0.16 -1.83 -0.01 0.00 1.25 0.00 0.00 42.46 41.72 3n1p s ILE 153 CO 0.10 -0.13 0.09 0.35 0.24 0.00 0.00 174.94 175.59 3n1p n THR 154 N 0.64 0.00 -4.11 8.37 -2.24 0.06 -0.81 114.28 116.20 3n1p n THR 154 Ca -0.16 -0.60 -0.35 0.00 -2.27 0.00 0.00 64.05 60.67 3n1p n THR 154 Cb 0.55 0.31 -0.09 0.00 -2.10 0.00 0.00 70.33 69.01 3n1p n THR 154 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3n1p s THR 155 N -2.40 4.82 0.58 4.28 2.01 -1.26 -1.52 115.64 122.15 3n1p s THR 155 Ca 0.10 -0.04 0.31 0.00 0.31 0.00 0.00 61.69 62.37 3n1p s THR 155 Cb 0.00 -3.10 0.44 0.00 0.01 0.00 0.00 72.50 69.85 3n1p s THR 155 CO 0.07 0.56 1.74 0.77 -0.69 0.00 0.00 174.62 177.07 3n1p h SER 156 N 5.63 0.00 0.19 3.53 4.64 -1.58 1.53 113.55 127.49 3n1p h SER 156 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3n1p h SER 156 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3n1p h SER 156 CO 0.61 0.00 -0.31 -0.90 -0.87 0.00 0.00 176.83 175.36 3n1p n ASP 157 N -3.74 1.20 -1.51 4.97 5.68 -1.26 -4.95 116.55 116.93 3n1p n ASP 157 Ca 0.17 -0.99 -0.18 0.00 -0.50 0.00 0.00 54.79 53.29 3n1p n ASP 157 Cb 1.05 0.21 -0.06 0.00 -1.14 0.00 0.00 41.12 41.18 3n1p n ASP 157 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3n1p n ARG 158 N -0.56 -1.27 -2.31 0.11 3.00 0.52 -4.92 116.66 111.23 3n1p n ARG 158 Ca 0.11 1.06 -0.36 0.00 -0.01 0.00 0.00 57.85 58.65 3n1p n ARG 158 Cb 0.37 -5.36 -0.04 0.00 0.00 0.00 0.00 32.46 27.43 3n1p n ARG 158 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 3n1p s ASP 159 N -2.67 5.81 0.64 0.55 2.15 -1.26 -4.84 116.67 117.05 3n1p s ASP 159 Ca 0.00 -0.67 0.35 0.00 0.43 0.00 0.00 52.55 52.66 3n1p s ASP 159 Cb 0.00 -2.56 1.95 0.00 -0.30 0.00 0.00 42.92 42.01 3n1p s ASP 159 CO 0.00 -2.09 2.16 0.03 -0.17 0.00 0.00 175.17 175.09 3n1p h ARG 160 N 11.26 0.00 0.00 4.34 3.08 -1.91 0.25 114.38 131.41 3n1p h ARG 160 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3n1p h ARG 160 Cb 1.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.10 3n1p h ARG 160 CO 1.30 0.00 0.00 -0.91 -1.07 0.00 0.00 179.97 179.29 3n1p h ASN 161 N 0.00 0.00 0.37 7.04 2.35 -1.98 -1.38 115.58 121.99 3n1p h ASN 161 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3n1p h ASN 161 Cb 0.34 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.71 3n1p h ASN 161 CO -0.00 0.00 -0.55 0.29 -1.65 0.00 0.00 177.43 175.52 3n1p n LYS 162 N -2.58 0.13 -0.09 0.81 5.02 0.88 -4.42 118.16 117.92 3n1p n LYS 162 Ca -0.01 -0.09 -0.10 0.00 -2.02 0.00 0.00 58.31 56.09 3n1p n LYS 162 Cb 0.11 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 33.66 3n1p n LYS 162 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 3n1p h TYR 163 N 0.21 0.97 0.23 2.13 -1.99 -1.37 0.48 116.97 117.62 3n1p h TYR 163 Ca 0.00 -0.26 0.01 0.00 2.00 0.00 0.00 58.73 60.48 3n1p h TYR 163 Cb 0.51 -0.21 -0.04 0.00 2.00 0.00 0.00 36.73 38.99 3n1p h TYR 163 CO 0.00 1.04 -0.39 0.78 -0.00 0.00 0.00 178.16 179.59 3n1p h GLY 164 N 0.90 -0.84 0.64 3.88 0.00 -1.77 0.18 103.07 106.06 3n1p h GLY 164 Ca 0.07 0.46 0.05 0.00 0.00 0.00 0.00 47.33 47.92 3n1p h GLY 164 CO 0.08 -0.28 0.18 1.41 0.00 0.00 0.00 176.54 177.93 3n1p h LEU 165 N -0.69 0.22 -0.78 3.11 3.38 -1.80 -2.08 115.31 116.66 3n1p h LEU 165 Ca 0.00 0.04 0.16 0.00 0.09 0.00 0.00 57.88 58.17 3n1p h LEU 165 Cb 0.68 0.01 -0.10 0.00 0.09 0.00 0.00 40.66 41.34 3n1p h LEU 165 CO -0.16 0.16 0.30 0.25 0.09 0.00 0.00 178.44 179.07 3n1p h LEU 166 N 0.37 0.25 -0.32 1.67 5.85 -0.41 0.51 115.31 123.23 3n1p h LEU 166 Ca 0.21 0.12 -0.00 0.00 0.84 0.00 0.00 57.88 59.05 3n1p h LEU 166 Cb 0.18 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 3n1p h LEU 166 CO -0.19 0.07 0.18 0.00 -0.34 0.00 0.00 178.44 178.15 3n1p h ALA 167 N 1.58 0.41 -0.72 1.25 0.00 -0.31 -1.46 119.26 120.02 3n1p h ALA 167 Ca 0.44 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.33 3n1p h ALA 167 Cb 0.71 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 3n1p h ALA 167 CO -0.44 -0.07 0.43 -0.09 0.00 0.00 0.00 179.25 179.07 3n1p h ARG 168 N 0.40 0.78 -0.37 0.00 9.65 -0.59 -2.02 114.38 122.23 3n1p h ARG 168 Ca 0.11 -0.05 0.02 0.00 -1.10 0.00 0.00 59.98 58.97 3n1p h ARG 168 Cb 0.05 -0.18 -0.03 0.00 -1.39 0.00 0.00 29.97 28.42 3n1p h ARG 168 CO -0.02 0.51 0.21 -0.07 2.80 0.00 0.00 179.97 183.40 3n1p h LEU 169 N 0.80 0.33 -0.77 3.80 3.38 -0.57 -2.05 115.31 120.23 3n1p h LEU 169 Ca 0.31 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.37 3n1p h LEU 169 Cb 0.13 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 40.75 3n1p h LEU 169 CO -0.16 0.24 0.43 0.00 0.09 0.00 0.00 178.44 179.05 3n1p h ALA 170 N 1.17 1.08 -0.20 1.53 0.00 -0.70 0.12 119.26 122.27 3n1p h ALA 170 Ca 0.15 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.13 3n1p h ALA 170 Cb 0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3n1p h ALA 170 CO -0.08 0.08 -0.03 0.28 0.00 0.00 0.00 179.25 179.50 3n1p h VAL 171 N 0.75 0.83 0.00 0.00 2.07 -0.94 -1.96 116.25 117.00 3n1p h VAL 171 Ca 0.37 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.88 3n1p h VAL 171 Cb 0.31 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 3n1p h VAL 171 CO -0.23 0.00 0.00 -0.62 0.02 0.00 0.00 177.57 176.74 3n1p n GLU 172 N -5.17 0.08 0.00 1.57 1.02 -0.59 -2.30 120.64 115.26 3n1p n GLU 172 Ca -0.02 0.11 0.13 0.00 -0.02 0.00 0.00 57.16 57.36 3n1p n GLU 172 Cb 0.12 -1.50 0.48 0.00 -0.02 0.00 0.00 31.44 30.52 3n1p n GLU 172 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3n1p n ALA 173 N -1.45 2.88 0.00 0.62 0.00 0.32 -4.91 120.51 117.98 3n1p n ALA 173 Ca 0.07 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3n1p n ALA 173 Cb 0.24 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.38 3n1p n ALA 173 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3n1p n GLY 174 N 1.44 0.70 3.68 0.00 0.00 -0.97 -4.65 105.19 105.39 3n1p n GLY 174 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 3n1p n GLY 174 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3n1p n PHE 175 N -1.42 2.61 0.31 1.61 3.72 -1.07 -4.85 117.46 118.37 3n1p n PHE 175 Ca 0.00 -0.21 0.20 0.00 -0.05 0.00 0.00 57.45 57.38 3n1p n PHE 175 Cb 0.00 -2.75 0.94 0.00 -0.94 0.00 0.00 39.48 36.73 3n1p n PHE 175 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3n1p h ASP 176 N 9.05 0.00 -3.20 4.37 3.32 -1.57 -3.41 116.42 124.97 3n1p h ASP 176 Ca -0.47 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.48 3n1p h ASP 176 Cb 1.22 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 40.52 3n1p h ASP 176 CO 0.95 0.01 -0.25 0.86 -1.72 0.00 0.00 179.24 179.09 3n1p s TRP 177 N -3.94 -0.67 -0.05 4.55 -0.00 -0.78 -4.30 118.94 113.76 3n1p s TRP 177 Ca -0.02 1.41 0.03 0.00 -0.00 0.00 0.00 56.10 57.52 3n1p s TRP 177 Cb 0.11 0.32 0.00 0.00 -0.00 0.00 0.00 33.47 33.90 3n1p s TRP 177 CO 0.49 -0.37 -0.14 0.08 -0.00 0.00 0.00 176.95 177.00 3n1p s VAL 178 N 1.42 1.23 -0.21 5.86 1.01 -0.37 -1.03 120.40 128.30 3n1p s VAL 178 Ca -0.10 -0.59 -0.04 0.00 0.00 0.00 0.00 61.98 61.26 3n1p s VAL 178 Cb -0.08 -1.08 0.10 0.00 0.00 0.00 0.00 36.38 35.32 3n1p s VAL 178 CO -0.14 0.37 0.26 -0.47 0.00 0.00 0.00 175.10 175.12 3n1p s TYR 179 N 0.23 -0.41 -0.99 5.22 5.04 0.98 -0.49 117.35 126.92 3n1p s TYR 179 Ca -0.07 0.36 -0.26 0.00 -2.44 0.00 0.00 57.07 54.66 3n1p s TYR 179 Cb -0.12 -0.27 -0.20 0.00 0.35 0.00 0.00 41.96 41.71 3n1p s TYR 179 CO 0.02 -0.63 2.00 0.98 -1.34 0.00 0.00 175.55 176.58 3n1p n TYR 180 N 5.33 1.41 0.14 4.97 -0.00 -0.33 -0.21 117.16 128.47 3n1p n TYR 180 Ca -0.05 -0.67 0.01 0.00 -0.00 0.00 0.00 57.90 57.19 3n1p n TYR 180 Cb 0.50 -2.39 0.13 0.00 -0.00 0.00 0.00 39.34 37.59 3n1p n TYR 180 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.86 178.35 3n1p h GLU 181 N 10.73 0.00 -3.33 2.98 4.81 -1.86 0.12 114.58 128.02 3n1p h GLU 181 Ca 0.11 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.32 3n1p h GLU 181 Cb 0.93 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 30.21 3n1p h GLU 181 CO 1.22 0.59 0.01 0.45 -0.73 0.00 0.00 179.01 180.55 3n1p s SER 182 N -6.58 -0.25 0.50 1.04 0.15 -1.05 -4.87 113.70 102.64 3n1p s SER 182 Ca 0.01 -0.48 0.33 0.00 0.70 0.00 0.00 55.95 56.51 3n1p s SER 182 Cb 0.10 0.57 1.40 0.00 -1.71 0.00 0.00 66.02 66.38 3n1p s SER 182 CO 0.74 -1.03 1.97 0.11 1.20 0.00 0.00 173.24 176.23 3n1p h LYS 183 N 2.22 0.00 0.00 5.44 1.79 -2.02 -3.13 116.57 120.86 3n1p h LYS 183 Ca -0.29 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.18 3n1p h LYS 183 Cb 1.26 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.91 3n1p h LYS 183 CO 0.38 0.00 -1.00 0.00 -1.08 0.00 0.00 179.45 177.75 3n1p n ALA 184 N -2.02 4.57 -3.52 3.86 0.00 -1.26 -4.92 120.51 117.22 3n1p n ALA 184 Ca 0.00 -0.57 -0.09 0.00 0.00 0.00 0.00 53.44 52.78 3n1p n ALA 184 Cb 0.26 -0.80 -0.03 0.00 0.00 0.00 0.00 19.45 18.89 3n1p n ALA 184 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 3n1p s HIS 185 N -3.03 -0.34 -0.04 0.00 -3.43 -1.19 -4.83 115.29 102.43 3n1p s HIS 185 Ca 0.07 0.30 -0.02 0.00 -0.80 0.00 0.00 55.06 54.61 3n1p s HIS 185 Cb 0.16 0.52 -0.04 0.00 -1.43 0.00 0.00 32.58 31.79 3n1p s HIS 185 CO 0.86 -0.49 0.07 0.08 -2.00 0.00 0.00 174.74 173.25 3n1p s VAL 186 N -2.69 4.72 -0.17 -5.38 1.01 0.01 -2.54 120.40 115.35 3n1p s VAL 186 Ca 0.04 -0.27 -0.07 0.00 0.00 0.00 0.00 61.98 61.67 3n1p s VAL 186 Cb -0.01 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 3n1p s VAL 186 CO -0.07 0.46 0.05 -2.28 0.00 0.00 0.00 175.10 173.27 3n1p s HIS 187 N -1.08 3.24 0.03 5.22 5.04 0.71 -0.73 115.29 127.71 3n1p s HIS 187 Ca 0.19 0.06 0.03 0.00 -1.54 0.00 0.00 55.06 53.81 3n1p s HIS 187 Cb -0.12 -2.05 -0.02 0.00 0.04 0.00 0.00 32.58 30.44 3n1p s HIS 187 CO 0.09 0.18 -0.11 0.00 -2.34 0.00 0.00 174.74 172.56 3n1p s SER 189 N -1.05 -0.12 0.09 0.00 1.04 -0.20 -0.21 113.70 113.24 3n1p s SER 189 Ca -0.01 -0.67 0.01 0.00 0.48 0.00 0.00 55.95 55.76 3n1p s SER 189 Cb -0.07 0.52 -0.04 0.00 0.10 0.00 0.00 66.02 66.53 3n1p s SER 189 CO 0.01 -1.00 -0.06 0.68 0.98 0.00 0.00 173.24 173.85 3n1p s VAL 190 N -3.92 0.65 0.51 5.02 -7.23 -0.27 -1.51 120.40 113.65 3n1p s VAL 190 Ca 0.13 -1.91 -0.09 0.00 -1.81 0.00 0.00 61.98 58.31 3n1p s VAL 190 Cb 0.01 -1.65 0.13 0.00 0.56 0.00 0.00 36.38 35.43 3n1p s VAL 190 CO -0.01 -0.88 0.37 0.29 -0.31 0.00 0.00 175.10 174.57 3n1p n LYS 191 N -0.00 -2.45 0.00 4.82 5.02 -1.25 -4.85 118.16 119.44 3n1p n LYS 191 Ca -0.12 -0.61 0.02 0.00 -2.02 0.00 0.00 58.31 55.57 3n1p n LYS 191 Cb 0.61 -0.67 0.02 0.00 -0.02 0.00 0.00 35.03 34.96 3n1p n LYS 191 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33