#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n4p s LEU 56 N 0.00 3.44 0.53 4.37 2.96 -1.26 -5.00 118.68 123.72 1n4p s LEU 56 Ca 0.00 0.12 -0.22 0.00 -0.22 0.00 0.00 54.13 53.81 1n4p s LEU 56 Cb 0.00 -3.16 -0.06 0.00 0.50 0.00 0.00 46.19 43.47 1n4p s LEU 56 CO 0.00 -1.50 1.29 -0.24 -1.32 0.00 0.00 176.35 174.58 1n4p n SER 57 N 8.52 2.42 0.20 3.68 2.88 -1.26 -4.90 113.62 125.15 1n4p n SER 57 Ca 0.09 0.98 0.14 0.00 -1.33 0.00 0.00 58.87 58.75 1n4p n SER 57 Cb 0.49 -1.54 0.65 0.00 -0.75 0.00 0.00 64.21 63.06 1n4p n SER 57 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1n4p h LEU 58 N 1.44 0.00 -3.00 2.46 3.38 -2.00 -2.45 115.31 115.13 1n4p h LEU 58 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1n4p h LEU 58 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1n4p h LEU 58 CO 0.57 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 178.20 1n4p n ASP 59 N -2.53 2.54 -4.77 -0.43 5.68 -1.26 -4.96 116.55 110.82 1n4p n ASP 59 Ca 0.00 -2.31 -0.37 0.00 -0.50 0.00 0.00 54.79 51.61 1n4p n ASP 59 Cb 0.18 -0.20 0.00 0.00 -1.14 0.00 0.00 41.12 39.96 1n4p n ASP 59 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1n4p s SER 60 N -1.44 5.95 0.49 -1.12 0.15 -0.92 -4.91 113.70 111.90 1n4p s SER 60 Ca 0.17 2.37 0.20 0.00 0.70 0.00 0.00 55.95 59.38 1n4p s SER 60 Cb 0.12 -2.61 1.24 0.00 -1.71 0.00 0.00 66.02 63.07 1n4p s SER 60 CO 0.06 -1.08 2.06 1.55 1.20 0.00 0.00 173.24 177.04 1n4p h PRO 61 N 1.83 0.00 -0.65 5.44 0.13 -1.96 -2.01 132.00 134.78 1n4p h PRO 61 Ca -0.50 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.60 1n4p h PRO 61 Cb 1.26 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 1n4p h PRO 61 CO 0.59 0.12 0.04 0.25 -0.23 0.00 0.00 178.00 178.78 1n4p n THR 62 N -4.13 2.55 -2.01 1.56 -2.24 -1.26 -4.97 114.28 103.77 1n4p n THR 62 Ca -0.02 -1.31 -0.39 0.00 -2.27 0.00 0.00 64.05 60.06 1n4p n THR 62 Cb 0.20 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.12 1n4p n THR 62 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1n4p s TYR 63 N -2.63 2.70 -0.06 4.78 6.14 -0.76 -5.02 117.35 122.50 1n4p s TYR 63 Ca 0.50 1.41 0.01 0.00 0.64 0.00 0.00 57.07 59.63 1n4p s TYR 63 Cb 0.38 -3.67 0.02 0.00 0.42 0.00 0.00 41.96 39.11 1n4p s TYR 63 CO 0.14 -2.22 -0.07 0.08 0.64 0.00 0.00 175.55 174.12 1n4p s VAL 64 N -1.31 0.78 0.75 3.14 1.01 -1.26 -5.04 120.40 118.46 1n4p s VAL 64 Ca 0.61 -0.24 -0.16 0.00 0.00 0.00 0.00 61.98 62.19 1n4p s VAL 64 Cb -0.37 -0.77 -0.01 0.00 0.00 0.00 0.00 36.38 35.22 1n4p s VAL 64 CO 0.47 0.29 0.67 0.18 0.00 0.00 0.00 175.10 176.70 1n4p n LEU 65 N 4.15 1.61 0.22 3.92 4.77 -1.26 -4.86 117.00 125.55 1n4p n LEU 65 Ca -0.22 0.58 0.06 0.00 -0.03 0.00 0.00 56.01 56.41 1n4p n LEU 65 Cb 0.51 -1.28 0.49 0.00 -2.33 0.00 0.00 43.42 40.81 1n4p n LEU 65 CO 0.22 -2.81 0.83 1.88 -1.33 0.00 0.00 177.39 176.19 1n4p h TYR 66 N -0.50 0.00 0.00 -1.77 0.05 -1.95 -2.18 116.97 110.62 1n4p h TYR 66 Ca -0.46 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.32 1n4p h TYR 66 Cb 1.34 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.08 1n4p h TYR 66 CO 0.37 0.25 0.00 0.07 -1.05 0.00 0.00 178.16 177.81 1n4p h ARG 67 N 0.00 0.00 -0.27 4.88 0.11 -1.90 -2.57 114.38 114.62 1n4p h ARG 67 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1n4p h ARG 67 Cb 0.49 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.57 1n4p h ARG 67 CO 0.03 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 179.85 1n4p n ASP 68 N -2.61 3.70 -4.67 0.08 8.00 -0.82 -4.97 116.55 115.25 1n4p n ASP 68 Ca 0.01 -2.85 -0.35 0.00 0.71 0.00 0.00 54.79 52.31 1n4p n ASP 68 Cb 0.22 -0.49 -0.09 0.00 -0.02 0.00 0.00 41.12 40.74 1n4p n ASP 68 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1n4p s ARG 69 N -2.52 4.06 0.13 -1.24 0.52 -0.97 -4.92 118.95 114.01 1n4p s ARG 69 Ca 0.39 -0.29 -0.21 0.00 -0.52 0.00 0.00 55.73 55.09 1n4p s ARG 69 Cb 0.30 -3.30 -0.03 0.00 0.52 0.00 0.00 34.95 32.44 1n4p s ARG 69 CO 0.10 0.28 1.69 0.00 0.02 0.00 0.00 175.30 177.39 1n4p h ALA 70 N 6.70 0.03 0.00 2.13 0.00 -1.93 -1.97 119.26 124.21 1n4p h ALA 70 Ca -0.39 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1n4p h ALA 70 Cb 1.16 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1n4p h ALA 70 CO 0.73 -0.54 0.04 0.39 0.00 0.00 0.00 179.25 179.87 1n4p n GLU 71 N -5.24 0.03 -0.09 0.00 4.71 -1.26 -0.83 120.64 117.97 1n4p n GLU 71 Ca -0.03 0.50 0.04 0.00 -0.01 0.00 0.00 57.16 57.66 1n4p n GLU 71 Cb 0.16 -1.64 0.09 0.00 -1.01 0.00 0.00 31.44 29.04 1n4p n GLU 71 CO 0.00 0.00 0.00 0.91 0.09 0.00 0.00 177.13 178.13 1n4p n TRP 72 N -1.64 0.24 -0.34 -0.32 7.02 -0.76 -4.69 117.44 116.94 1n4p n TRP 72 Ca -0.00 -0.35 0.08 0.00 -1.02 0.00 0.00 57.50 56.20 1n4p n TRP 72 Cb 0.05 -0.02 0.26 0.00 -2.42 0.00 0.00 31.31 29.18 1n4p n TRP 72 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1n4p h ALA 73 N 1.53 1.57 0.00 6.99 0.00 -0.79 -2.17 119.26 126.39 1n4p h ALA 73 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1n4p h ALA 73 Cb 0.57 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1n4p h ALA 73 CO 0.00 0.19 0.00 0.38 0.00 0.00 0.00 179.25 179.82 1n4p h ASP 74 N 0.95 0.00 -3.24 0.00 -0.00 -1.84 -3.44 116.42 108.86 1n4p h ASP 74 Ca 0.48 0.00 -0.58 0.00 -0.00 0.00 0.00 57.03 56.94 1n4p h ASP 74 Cb 0.51 0.00 -0.05 0.00 -0.00 0.00 0.00 39.33 39.79 1n4p h ASP 74 CO -0.25 0.00 -0.06 -0.63 -0.00 0.00 0.00 179.24 178.31 1n4p s ILE 75 N -3.61 4.86 -0.41 4.15 -1.09 -0.82 -5.05 121.20 119.23 1n4p s ILE 75 Ca 0.02 1.16 -0.14 0.00 -2.23 0.00 0.00 60.65 59.46 1n4p s ILE 75 Cb 0.09 -3.88 0.03 0.00 -1.58 0.00 0.00 42.46 37.12 1n4p s ILE 75 CO 0.51 0.50 0.28 -1.81 -1.23 0.00 0.00 174.94 173.20 1n4p s ASP 76 N -0.71 6.03 0.44 3.58 1.01 -1.26 -5.05 116.67 120.71 1n4p s ASP 76 Ca 0.29 -0.95 -0.24 0.00 0.71 0.00 0.00 52.55 52.36 1n4p s ASP 76 Cb -0.18 -2.13 -0.10 0.00 1.01 0.00 0.00 42.92 41.52 1n4p s ASP 76 CO 0.17 -0.45 1.02 -0.81 0.21 0.00 0.00 175.17 175.31 1n4p n PRO 77 N 5.12 1.33 -3.88 8.23 -0.04 -1.26 -4.78 135.00 139.73 1n4p n PRO 77 Ca -0.11 0.48 -0.35 0.00 -0.04 0.00 0.00 63.50 63.47 1n4p n PRO 77 Cb 0.47 -2.08 -0.14 0.00 -0.04 0.00 0.00 33.50 31.71 1n4p n PRO 77 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1n4p s VAL 78 N -1.31 3.36 0.50 0.52 1.01 0.24 -4.96 120.40 119.76 1n4p s VAL 78 Ca 0.65 -0.79 -0.13 0.00 0.00 0.00 0.00 61.98 61.71 1n4p s VAL 78 Cb -0.53 -2.68 -0.06 0.00 0.00 0.00 0.00 36.38 33.11 1n4p s VAL 78 CO 0.56 0.21 0.91 -2.16 0.00 0.00 0.00 175.10 174.62 1n4p s PRO 79 N 1.42 3.81 -0.05 2.72 0.04 -1.26 -4.40 135.00 137.28 1n4p s PRO 79 Ca 0.02 0.72 -0.16 0.00 0.04 0.00 0.00 61.00 61.62 1n4p s PRO 79 Cb -0.16 -2.22 -0.05 0.00 0.04 0.00 0.00 34.50 32.10 1n4p s PRO 79 CO -0.02 -0.24 0.44 -1.14 0.04 0.00 0.00 177.00 176.08 1n4p s GLN 80 N -4.23 4.12 -0.12 4.56 0.74 -1.26 -5.07 119.66 118.39 1n4p s GLN 80 Ca 0.55 0.44 -0.02 0.00 0.05 0.00 0.00 55.36 56.38 1n4p s GLN 80 Cb -0.10 -3.31 0.04 0.00 1.10 0.00 0.00 33.01 30.73 1n4p s GLN 80 CO 0.36 0.47 -0.00 0.54 -0.55 0.00 0.00 175.29 176.10 1n4p s ASN 81 N -0.37 2.14 -0.07 6.67 2.20 -1.26 -5.00 114.94 119.25 1n4p s ASN 81 Ca 0.25 -0.37 0.09 0.00 -0.94 0.00 0.00 52.86 51.89 1n4p s ASN 81 Cb -0.16 -0.57 0.39 0.00 -2.00 0.00 0.00 41.25 38.91 1n4p s ASN 81 CO 0.12 -0.22 1.22 0.47 -2.94 0.00 0.00 177.10 175.75 1n4p n ASP 82 N 5.07 2.85 -0.12 3.54 9.92 -1.26 -5.05 116.55 131.51 1n4p n ASP 82 Ca -0.09 -2.26 0.00 0.00 -0.53 0.00 0.00 54.79 51.91 1n4p n ASP 82 Cb 0.49 -0.44 0.00 0.00 -0.64 0.00 0.00 41.12 40.53 1n4p n ASP 82 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1n4p n GLY 83 N 0.69 -1.66 0.43 0.44 0.00 -1.26 -4.10 105.19 99.74 1n4p n GLY 83 Ca 0.14 -1.32 -0.17 0.00 0.00 0.00 0.00 46.02 44.67 1n4p n GLY 83 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n4p h PRO 84 N 0.00 -0.88 -3.44 1.61 0.13 -2.07 -3.37 132.00 123.98 1n4p h PRO 84 Ca 0.00 0.06 -0.67 0.00 -0.87 0.00 0.00 66.00 64.52 1n4p h PRO 84 Cb 0.00 0.20 -0.38 0.00 0.13 0.00 0.00 31.00 30.95 1n4p h PRO 84 CO 0.00 -0.58 -0.45 -1.12 -0.23 0.00 0.00 178.00 175.61 1n4p s SER 85 N -4.44 4.92 0.49 1.44 0.01 -1.26 -5.10 113.70 109.77 1n4p s SER 85 Ca -0.18 -3.06 -0.22 0.00 1.31 0.00 0.00 55.95 53.80 1n4p s SER 85 Cb 0.05 -1.77 -0.07 0.00 0.21 0.00 0.00 66.02 64.44 1n4p s SER 85 CO 0.62 -0.28 1.17 -2.16 0.41 0.00 0.00 173.24 172.99 1n4p s PRO 86 N -0.36 3.61 0.02 12.44 0.04 -1.26 -5.05 135.00 144.44 1n4p s PRO 86 Ca 0.18 1.76 0.08 0.00 0.04 0.00 0.00 61.00 63.06 1n4p s PRO 86 Cb -0.20 -2.29 -0.03 0.00 0.04 0.00 0.00 34.50 32.02 1n4p s PRO 86 CO -0.04 -0.67 -0.22 0.08 0.04 0.00 0.00 177.00 176.19 1n4p s VAL 87 N -1.59 2.46 -1.38 -0.36 1.01 -1.26 -4.71 120.40 114.56 1n4p s VAL 87 Ca 0.67 -1.20 -0.10 0.00 0.00 0.00 0.00 61.98 61.35 1n4p s VAL 87 Cb -0.28 -1.97 0.01 0.00 0.00 0.00 0.00 36.38 34.14 1n4p s VAL 87 CO 0.33 0.42 0.39 0.52 0.00 0.00 0.00 175.10 176.76 1n4p n VAL 88 N 1.87 -2.75 -3.01 2.92 0.31 -1.26 -4.89 118.33 111.53 1n4p n VAL 88 Ca -0.17 -0.59 -0.40 0.00 -0.01 0.00 0.00 64.34 63.18 1n4p n VAL 88 Cb 0.52 -2.31 -0.05 0.00 -0.91 0.00 0.00 33.84 31.09 1n4p n VAL 88 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1n4p s GLN 89 N -6.91 4.47 -0.17 5.55 0.74 -1.26 -5.06 119.66 117.03 1n4p s GLN 89 Ca 0.16 1.02 -0.07 0.00 0.05 0.00 0.00 55.36 56.53 1n4p s GLN 89 Cb -0.08 -3.36 -0.04 0.00 1.10 0.00 0.00 33.01 30.63 1n4p s GLN 89 CO 0.94 0.28 0.05 0.42 -0.55 0.00 0.00 175.29 176.43 1n4p s ILE 90 N -0.03 4.69 0.04 -2.34 1.01 -1.26 -5.08 121.20 118.22 1n4p s ILE 90 Ca 0.38 -0.08 -0.25 0.00 0.00 0.00 0.00 60.65 60.70 1n4p s ILE 90 Cb -0.20 -3.09 -0.05 0.00 0.01 0.00 0.00 42.46 39.13 1n4p s ILE 90 CO 0.22 0.49 0.78 0.27 0.00 0.00 0.00 174.94 176.69 1n4p s ILE 91 N 0.19 4.75 0.04 2.92 -5.25 -1.26 -5.06 121.20 117.53 1n4p s ILE 91 Ca 0.04 1.65 0.06 0.00 -0.99 0.00 0.00 60.65 61.41 1n4p s ILE 91 Cb -0.12 -4.12 -0.03 0.00 2.95 0.00 0.00 42.46 41.13 1n4p s ILE 91 CO 0.01 0.35 -0.16 -0.31 -1.79 0.00 0.00 174.94 173.03 1n4p s TYR 92 N 0.06 2.62 0.82 1.37 1.51 -1.26 -5.12 117.35 117.34 1n4p s TYR 92 Ca 0.39 -0.22 -0.11 0.00 -1.01 0.00 0.00 57.07 56.12 1n4p s TYR 92 Cb -0.20 -1.48 0.09 0.00 -0.11 0.00 0.00 41.96 40.25 1n4p s TYR 92 CO 0.23 0.28 1.09 -1.54 -1.11 0.00 0.00 175.55 174.50 1n4p s SER 93 N -1.47 4.19 0.15 2.29 1.04 -1.26 -4.77 113.70 113.87 1n4p s SER 93 Ca 0.15 1.41 -0.18 0.00 0.48 0.00 0.00 55.95 57.82 1n4p s SER 93 Cb -0.11 -2.13 0.04 0.00 0.10 0.00 0.00 66.02 63.92 1n4p s SER 93 CO 0.06 -2.17 1.71 -0.08 0.98 0.00 0.00 173.24 173.74 1n4p h GLU 94 N -1.23 0.10 -0.31 4.02 4.57 -2.00 -0.55 114.58 119.18 1n4p h GLU 94 Ca -0.47 -0.01 0.02 0.00 -1.18 0.00 0.00 59.36 57.72 1n4p h GLU 94 Cb 1.27 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.81 1n4p h GLU 94 CO 0.57 0.06 0.15 -0.22 -1.18 0.00 0.00 179.01 178.39 1n4p h LYS 95 N 0.10 0.31 0.53 1.92 3.64 -1.99 0.01 116.57 121.09 1n4p h LYS 95 Ca 0.14 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.48 1n4p h LYS 95 Cb 0.19 -0.07 0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1n4p h LYS 95 CO -0.23 0.20 -0.25 0.35 -2.27 0.00 0.00 179.45 177.24 1n4p h PHE 96 N 0.31 -0.66 -0.50 1.91 3.57 -1.83 -2.26 116.94 117.49 1n4p h PHE 96 Ca 0.13 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.67 1n4p h PHE 96 Cb 0.05 0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.98 1n4p h PHE 96 CO -0.10 -0.37 0.34 -0.09 -2.23 0.00 0.00 178.31 175.85 1n4p h ARG 97 N -0.80 0.44 -0.03 1.11 2.43 -1.03 -2.12 114.38 114.40 1n4p h ARG 97 Ca -0.07 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1n4p h ARG 97 Cb 0.58 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.03 1n4p h ARG 97 CO 0.12 0.29 0.01 0.22 -1.51 0.00 0.00 179.97 179.10 1n4p h ASP 98 N 0.45 0.04 -0.30 -3.80 1.82 -0.76 0.40 116.42 114.27 1n4p h ASP 98 Ca 0.22 -0.24 0.01 0.00 -0.39 0.00 0.00 57.03 56.62 1n4p h ASP 98 Cb 0.28 -0.01 -0.02 0.00 0.68 0.00 0.00 39.33 40.26 1n4p h ASP 98 CO -0.06 0.27 0.19 0.58 -1.61 0.00 0.00 179.24 178.61 1n4p h VAL 99 N -0.19 1.06 0.00 2.25 2.07 -0.87 -2.75 116.25 117.81 1n4p h VAL 99 Ca 0.01 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 1n4p h VAL 99 Cb 0.25 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1n4p h VAL 99 CO 0.00 0.07 -0.13 1.88 0.02 0.00 0.00 177.57 179.41 1n4p h TYR 100 N 0.39 0.00 -0.11 1.57 0.05 -1.36 -1.21 116.97 116.29 1n4p h TYR 100 Ca 0.11 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.76 1n4p h TYR 100 Cb -0.03 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.70 1n4p h TYR 100 CO -0.07 0.13 -0.51 -0.44 -1.05 0.00 0.00 178.16 176.22 1n4p h ASP 101 N 0.00 0.34 0.92 3.88 3.32 -0.65 -1.42 116.42 122.81 1n4p h ASP 101 Ca -0.00 -0.17 -0.22 0.00 0.02 0.00 0.00 57.03 56.66 1n4p h ASP 101 Cb 0.81 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.23 1n4p h ASP 101 CO 0.02 0.79 -1.13 1.88 -1.72 0.00 0.00 179.24 179.08 1n4p h TYR 102 N 0.24 0.00 -0.42 4.55 -1.99 -1.26 0.73 116.97 118.82 1n4p h TYR 102 Ca 0.01 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.72 1n4p h TYR 102 Cb 0.99 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.70 1n4p h TYR 102 CO 0.02 0.94 0.18 0.35 -0.00 0.00 0.00 178.16 179.65 1n4p h PHE 103 N 0.00 0.64 -0.84 4.88 3.57 -1.00 -0.76 116.94 123.43 1n4p h PHE 103 Ca -0.07 -0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.39 1n4p h PHE 103 Cb 1.78 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 40.29 1n4p h PHE 103 CO 0.00 0.55 0.56 0.00 -2.23 0.00 0.00 178.31 177.18 1n4p h ARG 104 N 0.54 1.09 0.32 1.11 3.08 -1.32 0.18 114.38 119.38 1n4p h ARG 104 Ca 0.14 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 1n4p h ARG 104 Cb 0.18 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 29.98 1n4p h ARG 104 CO -0.01 0.72 -0.15 0.00 -1.07 0.00 0.00 179.97 179.45 1n4p h ALA 105 N 1.48 -0.43 -0.94 0.04 0.00 -1.32 -0.01 119.26 118.09 1n4p h ALA 105 Ca 0.31 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.12 1n4p h ALA 105 Cb -0.10 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 1n4p h ALA 105 CO -0.07 -0.68 0.61 0.28 0.00 0.00 0.00 179.25 179.39 1n4p h VAL 106 N -0.57 1.17 0.11 0.00 2.07 -0.80 -2.71 116.25 115.53 1n4p h VAL 106 Ca -0.04 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 1n4p h VAL 106 Cb 0.42 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 1n4p h VAL 106 CO 0.07 0.22 -0.05 -0.07 0.02 0.00 0.00 177.57 177.76 1n4p h LEU 107 N 1.20 -0.13 -1.96 2.57 3.38 -0.86 -1.49 115.31 118.02 1n4p h LEU 107 Ca 0.37 -0.22 0.15 0.00 0.09 0.00 0.00 57.88 58.27 1n4p h LEU 107 Cb -0.03 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1n4p h LEU 107 CO -0.11 0.15 0.49 -0.61 0.09 0.00 0.00 178.44 178.44 1n4p h GLN 108 N -0.41 0.00 -0.22 1.13 4.15 -0.80 0.18 115.11 119.14 1n4p h GLN 108 Ca -0.02 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.40 1n4p h GLN 108 Cb 0.34 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.03 1n4p h GLN 108 CO 0.03 0.00 0.00 0.54 -1.93 0.00 0.00 178.83 177.47 1n4p n ARG 109 N -3.88 1.88 -4.17 1.69 1.74 -1.04 -4.97 116.66 107.91 1n4p n ARG 109 Ca 0.10 -1.80 -0.33 0.00 -0.77 0.00 0.00 57.85 55.05 1n4p n ARG 109 Cb 0.70 -1.34 -0.04 0.00 -1.02 0.00 0.00 32.46 30.76 1n4p n ARG 109 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1n4p n ASP 110 N 0.91 -1.73 -4.61 0.55 4.64 0.63 -4.84 116.55 112.11 1n4p n ASP 110 Ca 0.12 -1.06 -0.43 0.00 -1.38 0.00 0.00 54.79 52.04 1n4p n ASP 110 Cb 0.44 -2.63 -0.02 0.00 -1.04 0.00 0.00 41.12 37.87 1n4p n ASP 110 CO 0.00 0.00 0.00 -0.70 -0.82 0.00 0.00 177.20 175.68 1n4p s GLU 111 N -6.89 3.57 -1.18 -0.67 2.12 -0.85 -4.91 118.70 109.89 1n4p s GLU 111 Ca 0.42 1.14 -0.05 0.00 0.36 0.00 0.00 54.97 56.84 1n4p s GLU 111 Cb -0.23 -4.05 0.09 0.00 0.26 0.00 0.00 34.13 30.19 1n4p s GLU 111 CO 0.93 -1.57 2.51 0.54 -0.54 0.00 0.00 175.26 177.13 1n4p n ARG 112 N 8.06 4.15 -3.43 4.30 5.12 -1.26 -4.83 116.66 128.77 1n4p n ARG 112 Ca 0.18 -3.15 -0.19 0.00 -1.93 0.00 0.00 57.85 52.76 1n4p n ARG 112 Cb 0.47 -2.55 -0.01 0.00 -1.16 0.00 0.00 32.46 29.21 1n4p n ARG 112 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1n4p s SER 113 N 0.53 5.80 0.26 0.55 1.04 -1.26 -4.84 113.70 115.79 1n4p s SER 113 Ca 0.56 -0.28 0.07 0.00 0.48 0.00 0.00 55.95 56.78 1n4p s SER 113 Cb 0.22 -1.08 0.33 0.00 0.10 0.00 0.00 66.02 65.60 1n4p s SER 113 CO -0.11 -0.49 1.61 -0.08 0.98 0.00 0.00 173.24 175.15 1n4p h GLU 114 N 0.89 0.14 -0.13 4.02 4.22 -2.00 -2.48 114.58 119.25 1n4p h GLU 114 Ca -0.44 -0.09 -0.12 0.00 0.08 0.00 0.00 59.36 58.78 1n4p h GLU 114 Cb 1.26 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 1n4p h GLU 114 CO 0.52 0.68 -0.47 0.07 -2.18 0.00 0.00 179.01 177.63 1n4p h ARG 115 N 0.10 0.32 -0.48 1.92 0.11 -1.97 -2.41 114.38 111.98 1n4p h ARG 115 Ca -0.00 -0.17 -0.12 0.00 0.10 0.00 0.00 59.98 59.78 1n4p h ARG 115 Cb 1.05 0.01 -0.02 0.00 1.11 0.00 0.00 29.97 32.12 1n4p h ARG 115 CO 0.08 0.73 -0.17 0.00 0.10 0.00 0.00 179.97 180.71 1n4p h ALA 116 N 1.25 0.80 -0.56 0.08 0.00 -1.83 -1.01 119.26 117.99 1n4p h ALA 116 Ca 0.02 -0.37 0.02 0.00 0.00 0.00 0.00 54.91 54.58 1n4p h ALA 116 Cb 0.92 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1n4p h ALA 116 CO 0.08 0.66 0.35 0.35 0.00 0.00 0.00 179.25 180.69 1n4p h PHE 117 N 0.81 0.66 -0.12 0.00 3.57 -1.17 -1.43 116.94 119.27 1n4p h PHE 117 Ca 0.12 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.54 1n4p h PHE 117 Cb 0.72 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 1n4p h PHE 117 CO 0.04 0.40 -0.34 0.87 -2.23 0.00 0.00 178.31 177.05 1n4p h LYS 118 N 0.71 0.23 -0.58 1.11 1.57 -1.17 -2.77 116.57 115.67 1n4p h LYS 118 Ca 0.22 -0.09 -0.05 0.00 -1.87 0.00 0.00 60.65 58.85 1n4p h LYS 118 Cb -0.03 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 1n4p h LYS 118 CO -0.07 0.55 0.16 1.25 -0.57 0.00 0.00 179.45 180.77 1n4p h LEU 119 N 0.20 0.82 -1.55 2.94 5.85 -0.19 -2.54 115.31 120.84 1n4p h LEU 119 Ca 0.03 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 1n4p h LEU 119 Cb 0.71 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 1n4p h LEU 119 CO 0.05 0.79 -0.13 0.71 -0.34 0.00 0.00 178.44 179.52 1n4p h THR 120 N 0.86 1.14 -1.01 1.05 1.35 -1.02 -1.38 112.91 113.90 1n4p h THR 120 Ca 0.19 -0.64 0.01 0.00 -0.55 0.00 0.00 66.41 65.42 1n4p h THR 120 Cb 0.28 1.23 -0.05 0.00 -1.73 0.00 0.00 68.15 67.88 1n4p h THR 120 CO -0.00 0.19 0.67 -0.09 -0.25 0.00 0.00 175.52 176.04 1n4p h ARG 121 N 0.12 1.31 -0.14 4.72 2.43 -1.45 0.66 114.38 122.04 1n4p h ARG 121 Ca 0.03 -0.08 -0.18 0.00 -0.81 0.00 0.00 59.98 58.94 1n4p h ARG 121 Cb 0.31 -0.30 0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1n4p h ARG 121 CO 0.02 0.87 -0.61 -0.44 -1.51 0.00 0.00 179.97 178.30 1n4p h ASP 122 N 1.35 0.78 -0.93 -3.80 3.45 -1.35 -2.02 116.42 113.91 1n4p h ASP 122 Ca 0.38 -0.62 0.00 0.00 0.43 0.00 0.00 57.03 57.22 1n4p h ASP 122 Cb -0.13 -0.23 -0.05 0.00 -0.56 0.00 0.00 39.33 38.36 1n4p h ASP 122 CO -0.09 1.28 0.59 0.00 -1.57 0.00 0.00 179.24 179.45 1n4p h ALA 123 N 0.53 1.30 -0.31 3.45 0.00 -0.90 -1.23 119.26 122.10 1n4p h ALA 123 Ca -0.04 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.65 1n4p h ALA 123 Cb 1.24 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1n4p h ALA 123 CO 0.13 0.63 -0.39 0.82 0.00 0.00 0.00 179.25 180.44 1n4p h ILE 124 N 1.27 1.29 -0.13 0.00 2.04 -0.85 -1.17 117.51 119.96 1n4p h ILE 124 Ca 0.34 -1.57 -0.06 0.00 1.00 0.00 0.00 64.86 64.57 1n4p h ILE 124 Cb -0.11 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 1n4p h ILE 124 CO -0.07 0.51 -0.19 -0.08 0.00 0.00 0.00 178.15 178.32 1n4p h GLU 125 N 0.61 0.22 0.00 2.37 4.81 -0.61 -2.03 114.58 119.94 1n4p h GLU 125 Ca 0.05 -0.06 -0.19 0.00 -0.13 0.00 0.00 59.36 59.04 1n4p h GLU 125 Cb 0.94 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.27 1n4p h GLU 125 CO 0.09 0.40 -0.90 -0.07 -0.73 0.00 0.00 179.01 177.81 1n4p h LEU 126 N 0.20 0.00 -5.86 1.64 3.38 -0.98 -3.43 115.31 110.26 1n4p h LEU 126 Ca 0.04 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.02 1n4p h LEU 126 Cb 0.45 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.01 1n4p h LEU 126 CO 0.03 0.90 -0.34 0.21 0.09 0.00 0.00 178.44 179.32 1n4p s ASN 127 N -6.72 -1.27 0.00 -0.43 2.47 -0.47 -5.01 114.94 103.52 1n4p s ASN 127 Ca 0.01 -0.40 0.20 0.00 0.42 0.00 0.00 52.86 53.09 1n4p s ASN 127 Cb 0.10 1.66 1.08 0.00 -1.45 0.00 0.00 41.25 42.65 1n4p s ASN 127 CO 0.80 -0.17 1.61 0.00 -3.72 0.00 0.00 177.10 175.63 1n4p n ALA 128 N 4.57 2.12 0.90 1.71 0.00 -0.80 -2.91 120.51 126.09 1n4p n ALA 128 Ca 0.09 -0.11 0.11 0.00 0.00 0.00 0.00 53.44 53.53 1n4p n ALA 128 Cb 0.57 -1.32 0.30 0.00 0.00 0.00 0.00 19.45 19.00 1n4p n ALA 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n4p n ALA 129 N -1.18 2.48 -2.76 0.00 0.00 -1.26 -4.69 120.51 113.11 1n4p n ALA 129 Ca 0.12 -0.70 -0.42 0.00 0.00 0.00 0.00 53.44 52.43 1n4p n ALA 129 Cb 0.12 -0.99 -0.03 0.00 0.00 0.00 0.00 19.45 18.55 1n4p n ALA 129 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1n4p s ASN 130 N -1.62 6.34 0.44 0.00 3.84 -1.15 -4.89 114.94 117.90 1n4p s ASN 130 Ca 0.35 -1.22 0.13 0.00 0.21 0.00 0.00 52.86 52.32 1n4p s ASN 130 Cb 0.20 -2.47 1.03 0.00 -0.55 0.00 0.00 41.25 39.46 1n4p s ASN 130 CO 0.29 -1.44 2.01 0.10 -2.79 0.00 0.00 177.10 175.27 1n4p h TYR 131 N 9.53 0.40 -0.88 0.43 -0.00 -1.92 -1.81 116.97 122.72 1n4p h TYR 131 Ca -0.09 0.01 -0.02 0.00 0.00 0.00 0.00 58.73 58.63 1n4p h TYR 131 Cb 1.04 -0.13 -0.04 0.00 0.00 0.00 0.00 36.73 37.60 1n4p h TYR 131 CO 1.10 0.21 0.48 1.15 -0.00 0.00 0.00 178.16 181.10 1n4p h THR 132 N 0.39 1.25 -0.37 -0.90 2.02 -1.99 -0.76 112.91 112.55 1n4p h THR 132 Ca 0.23 -0.62 -0.01 0.00 0.77 0.00 0.00 66.41 66.78 1n4p h THR 132 Cb 0.41 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 66.87 1n4p h THR 132 CO -0.06 0.28 0.21 0.58 0.37 0.00 0.00 175.52 176.90 1n4p h VAL 133 N 1.22 1.14 -0.61 3.16 2.07 -1.74 -0.68 116.25 120.81 1n4p h VAL 133 Ca 0.31 -0.35 -0.05 0.00 0.82 0.00 0.00 66.70 67.44 1n4p h VAL 133 Cb 0.02 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 1n4p h VAL 133 CO -0.05 0.14 0.20 -0.50 0.02 0.00 0.00 177.57 177.38 1n4p h TRP 134 N 0.47 0.94 0.06 1.57 4.06 -1.32 -0.47 115.95 121.26 1n4p h TRP 134 Ca 0.13 -0.08 -0.00 0.00 2.06 0.00 0.00 58.89 61.00 1n4p h TRP 134 Cb 0.04 -0.28 0.00 0.00 -1.00 0.00 0.00 29.16 27.92 1n4p h TRP 134 CO -0.03 0.76 -0.03 1.25 -3.56 0.00 0.00 178.44 176.83 1n4p h HIS 135 N 0.90 -0.07 -0.79 0.49 2.76 -0.80 -1.55 115.15 116.08 1n4p h HIS 135 Ca 0.20 -0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.42 1n4p h HIS 135 Cb 0.25 0.02 -0.05 0.00 1.55 0.00 0.00 27.41 29.18 1n4p h HIS 135 CO 0.02 0.13 0.49 0.35 -1.30 0.00 0.00 177.93 177.62 1n4p h PHE 136 N -0.27 0.92 -0.73 5.26 3.57 -0.94 -0.34 116.94 124.41 1n4p h PHE 136 Ca -0.01 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.53 1n4p h PHE 136 Cb 0.24 -0.30 -0.04 0.00 2.79 0.00 0.00 35.95 38.64 1n4p h PHE 136 CO -0.01 0.50 0.49 -0.09 -2.23 0.00 0.00 178.31 176.96 1n4p h ARG 137 N 0.94 0.94 -0.42 1.11 2.43 -0.86 0.08 114.38 118.59 1n4p h ARG 137 Ca 0.33 -0.06 -0.13 0.00 -0.81 0.00 0.00 59.98 59.32 1n4p h ARG 137 Cb 0.08 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 1n4p h ARG 137 CO -0.14 0.62 -0.25 0.00 -1.51 0.00 0.00 179.97 178.69 1n4p h ARG 138 N 0.97 0.87 -0.26 0.20 3.08 -0.09 0.19 114.38 119.34 1n4p h ARG 138 Ca 0.28 -0.38 0.01 0.00 0.07 0.00 0.00 59.98 59.96 1n4p h ARG 138 Cb -0.07 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 1n4p h ARG 138 CO -0.07 1.02 0.15 0.28 -1.07 0.00 0.00 179.97 180.28 1n4p h VAL 139 N 0.75 1.02 -0.66 2.04 2.07 -0.03 -2.13 116.25 119.30 1n4p h VAL 139 Ca 0.09 -0.10 -0.05 0.00 0.82 0.00 0.00 66.70 67.46 1n4p h VAL 139 Cb 0.80 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 1n4p h VAL 139 CO 0.07 0.06 0.24 -0.07 0.02 0.00 0.00 177.57 177.88 1n4p h LEU 140 N 0.30 0.94 -1.03 2.57 3.38 -0.76 -0.26 115.31 120.45 1n4p h LEU 140 Ca 0.10 -0.19 0.15 0.00 0.09 0.00 0.00 57.88 58.03 1n4p h LEU 140 Cb 0.01 -0.25 -0.09 0.00 0.09 0.00 0.00 40.66 40.42 1n4p h LEU 140 CO -0.05 0.88 0.62 -0.07 0.09 0.00 0.00 178.44 179.91 1n4p h LEU 141 N 0.95 0.86 0.14 1.67 3.38 -0.16 0.21 115.31 122.37 1n4p h LEU 141 Ca 0.22 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.24 1n4p h LEU 141 Cb 0.25 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1n4p h LEU 141 CO -0.01 0.41 -0.07 -0.09 0.09 0.00 0.00 178.44 178.77 1n4p h ARG 142 N 0.90 -0.19 -0.55 1.13 9.65 -0.96 -1.73 114.38 122.63 1n4p h ARG 142 Ca 0.52 0.01 0.11 0.00 -1.10 0.00 0.00 59.98 59.53 1n4p h ARG 142 Cb 0.65 0.04 -0.11 0.00 -1.39 0.00 0.00 29.97 29.17 1n4p h ARG 142 CO -0.30 0.17 -0.18 0.77 2.80 0.00 0.00 179.97 183.24 1n4p h SER 143 N -0.96 -0.63 -0.17 -3.80 0.02 -0.74 0.63 113.55 107.90 1n4p h SER 143 Ca -0.02 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1n4p h SER 143 Cb 0.44 0.39 0.00 0.00 0.14 0.00 0.00 62.40 63.37 1n4p h SER 143 CO 0.03 -0.21 0.00 0.18 -1.14 0.00 0.00 176.83 175.69 1n4p n LEU 144 N -5.41 1.18 -4.11 5.07 4.77 0.04 -4.93 117.00 113.61 1n4p n LEU 144 Ca 0.05 -0.54 -0.41 0.00 -0.03 0.00 0.00 56.01 55.08 1n4p n LEU 144 Cb 0.31 -0.11 -0.01 0.00 -2.33 0.00 0.00 43.42 41.27 1n4p n LEU 144 CO 0.07 0.27 -0.25 0.00 -1.33 0.00 0.00 177.39 176.16 1n4p n GLN 145 N 0.07 -0.65 -1.71 3.23 6.02 0.21 -4.91 117.38 119.65 1n4p n GLN 145 Ca 0.12 0.12 -0.31 0.00 -0.01 0.00 0.00 57.00 56.91 1n4p n GLN 145 Cb 0.22 -3.01 0.04 0.00 1.02 0.00 0.00 30.24 28.51 1n4p n GLN 145 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1n4p s LYS 146 N -7.29 3.05 -0.36 -1.09 -0.14 -0.68 -4.95 119.74 108.28 1n4p s LYS 146 Ca 0.34 1.02 -0.28 0.00 -1.36 0.00 0.00 55.97 55.68 1n4p s LYS 146 Cb -0.18 -2.00 -0.01 0.00 -1.68 0.00 0.00 37.83 33.96 1n4p s LYS 146 CO 0.97 -1.01 1.70 0.34 -0.76 0.00 0.00 175.35 176.59 1n4p s ASP 147 N -3.52 5.99 0.42 2.83 3.68 -1.26 -4.87 116.67 119.95 1n4p s ASP 147 Ca 0.59 1.15 0.19 0.00 2.13 0.00 0.00 52.55 56.61 1n4p s ASP 147 Cb -0.14 -2.53 0.95 0.00 -1.45 0.00 0.00 42.92 39.75 1n4p s ASP 147 CO 0.50 -1.65 1.89 -0.07 0.13 0.00 0.00 175.17 175.97 1n4p h LEU 148 N 13.35 0.00 -1.47 -1.34 3.38 -1.95 -2.15 115.31 125.12 1n4p h LEU 148 Ca -0.32 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.59 1n4p h LEU 148 Cb 1.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 1n4p h LEU 148 CO 1.05 0.28 -0.27 1.56 0.09 0.00 0.00 178.44 181.15 1n4p h GLN 149 N 0.00 0.00 -0.10 1.13 1.08 -2.00 -1.34 115.11 113.88 1n4p h GLN 149 Ca -0.00 0.00 -0.23 0.00 -1.45 0.00 0.00 58.65 56.96 1n4p h GLN 149 Cb 0.59 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.03 1n4p h GLN 149 CO 0.04 0.27 -0.85 1.49 -0.95 0.00 0.00 178.83 178.82 1n4p h GLU 150 N 0.00 0.75 -0.19 1.46 4.57 -1.79 -3.06 114.58 116.32 1n4p h GLU 150 Ca -0.00 -0.68 -0.02 0.00 -1.18 0.00 0.00 59.36 57.47 1n4p h GLU 150 Cb 0.49 0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 29.23 1n4p h GLU 150 CO 0.03 1.27 0.01 1.49 -1.18 0.00 0.00 179.01 180.63 1n4p h GLU 151 N 0.47 0.27 -0.65 1.92 4.57 -1.18 -1.40 114.58 118.58 1n4p h GLU 151 Ca -0.08 -0.04 -0.05 0.00 -1.18 0.00 0.00 59.36 58.02 1n4p h GLU 151 Cb 1.49 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 30.00 1n4p h GLU 151 CO 0.17 0.29 0.22 0.52 -1.18 0.00 0.00 179.01 179.03 1n4p h MET 152 N 0.27 0.98 -0.43 1.92 2.86 -1.17 0.30 114.93 119.66 1n4p h MET 152 Ca 0.06 -0.19 -0.09 0.00 -2.06 0.00 0.00 59.70 57.43 1n4p h MET 152 Cb 0.18 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 1n4p h MET 152 CO 0.00 0.83 -0.09 -0.91 1.06 0.00 0.00 176.91 177.80 1n4p h ASN 153 N 0.95 0.82 0.61 1.22 2.35 -1.21 -0.83 115.58 119.48 1n4p h ASN 153 Ca 0.21 -0.36 -0.02 0.00 -0.55 0.00 0.00 56.30 55.59 1n4p h ASN 153 Cb 0.25 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 1n4p h ASN 153 CO -0.01 0.99 -0.41 0.22 -1.65 0.00 0.00 177.43 176.56 1n4p h TYR 154 N 0.64 -1.09 -0.04 1.19 3.20 -0.83 -2.35 116.97 117.70 1n4p h TYR 154 Ca 0.11 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.95 1n4p h TYR 154 Cb 0.62 0.40 -0.01 0.00 1.54 0.00 0.00 36.73 39.28 1n4p h TYR 154 CO 0.05 -0.61 -0.11 0.97 -1.64 0.00 0.00 178.16 176.83 1n4p h ILE 155 N -0.97 1.10 -0.58 1.81 6.09 -0.96 -1.78 117.51 122.21 1n4p h ILE 155 Ca -0.07 -0.46 -0.06 0.00 -1.37 0.00 0.00 64.86 62.89 1n4p h ILE 155 Cb 0.80 1.19 -0.03 0.00 0.47 0.00 0.00 36.82 39.26 1n4p h ILE 155 CO 0.05 0.14 0.13 0.40 -3.07 0.00 0.00 178.15 175.80 1n4p h ILE 156 N 0.06 1.24 -0.09 2.19 2.04 -0.81 -1.18 117.51 120.96 1n4p h ILE 156 Ca 0.01 -0.88 -0.06 0.00 1.00 0.00 0.00 64.86 64.93 1n4p h ILE 156 Cb 0.23 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 1n4p h ILE 156 CO 0.01 0.33 -0.16 0.00 0.00 0.00 0.00 178.15 178.33 1n4p h ALA 157 N 1.27 0.14 -0.32 1.87 0.00 -0.82 -2.88 119.26 118.52 1n4p h ALA 157 Ca 0.19 -0.35 0.06 0.00 0.00 0.00 0.00 54.91 54.80 1n4p h ALA 157 Cb 0.33 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 1n4p h ALA 157 CO 0.00 0.05 0.01 0.82 0.00 0.00 0.00 179.25 180.13 1n4p h ILE 158 N -0.18 0.77 -0.91 0.00 1.08 -1.16 -2.35 117.51 114.76 1n4p h ILE 158 Ca 0.01 -0.04 -0.02 0.00 -0.39 0.00 0.00 64.86 64.42 1n4p h ILE 158 Cb 0.73 0.66 -0.04 0.00 -3.07 0.00 0.00 36.82 35.10 1n4p h ILE 158 CO 0.04 0.02 0.50 0.40 -0.69 0.00 0.00 178.15 178.42 1n4p h ILE 159 N 0.10 1.26 -0.11 -0.67 2.04 -1.27 -0.54 117.51 118.33 1n4p h ILE 159 Ca 0.15 -0.63 -0.01 0.00 1.00 0.00 0.00 64.86 65.38 1n4p h ILE 159 Cb 0.21 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.31 1n4p h ILE 159 CO -0.25 0.29 0.04 -0.33 0.00 0.00 0.00 178.15 177.90 1n4p h GLU 160 N 1.27 0.14 0.00 2.37 5.08 -1.20 0.99 114.58 123.23 1n4p h GLU 160 Ca 0.32 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.59 1n4p h GLU 160 Cb 0.02 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1n4p h GLU 160 CO -0.05 0.12 -0.80 0.93 -1.00 0.00 0.00 179.01 178.21 1n4p h GLU 161 N 0.15 0.00 -1.90 2.33 5.08 -0.94 -3.39 114.58 115.91 1n4p h GLU 161 Ca 0.04 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.90 1n4p h GLU 161 Cb 0.03 0.00 -0.38 0.00 0.50 0.00 0.00 28.75 28.90 1n4p h GLU 161 CO -0.00 0.24 -1.13 1.04 -1.00 0.00 0.00 179.01 178.16 1n4p n GLN 162 N -2.98 0.87 0.00 2.33 6.02 -0.29 -4.97 117.38 118.35 1n4p n GLN 162 Ca -0.02 -3.24 0.02 0.00 -0.01 0.00 0.00 57.00 53.75 1n4p n GLN 162 Cb 0.69 -1.49 0.10 0.00 1.02 0.00 0.00 30.24 30.56 1n4p n GLN 162 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1n4p n PRO 163 N 0.75 0.02 -0.16 -1.09 -0.04 0.26 -2.36 135.00 132.38 1n4p n PRO 163 Ca 0.23 0.38 0.09 0.00 -0.04 0.00 0.00 63.50 64.16 1n4p n PRO 163 Cb 0.61 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.74 1n4p n PRO 163 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1n4p n LYS 164 N -1.44 2.24 -2.93 0.54 4.76 -1.26 -4.82 118.16 115.24 1n4p n LYS 164 Ca 0.01 -2.05 -0.41 0.00 -2.87 0.00 0.00 58.31 52.99 1n4p n LYS 164 Cb 0.05 -1.41 -0.04 0.00 -1.84 0.00 0.00 35.03 31.78 1n4p n LYS 164 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1n4p s ASN 165 N -1.27 6.97 0.16 4.39 3.84 -0.99 -4.98 114.94 123.05 1n4p s ASN 165 Ca 0.31 1.19 -0.12 0.00 0.21 0.00 0.00 52.86 54.45 1n4p s ASN 165 Cb 0.18 -2.44 0.03 0.00 -0.55 0.00 0.00 41.25 38.47 1n4p s ASN 165 CO 0.25 -0.31 1.63 1.88 -2.79 0.00 0.00 177.10 177.76 1n4p h TYR 166 N 7.17 0.96 -0.77 0.43 0.05 -1.92 -3.24 116.97 119.65 1n4p h TYR 166 Ca -0.33 -0.15 -0.02 0.00 0.05 0.00 0.00 58.73 58.28 1n4p h TYR 166 Cb 1.15 -0.26 -0.04 0.00 1.01 0.00 0.00 36.73 38.60 1n4p h TYR 166 CO 0.70 0.88 0.42 1.96 -1.05 0.00 0.00 178.16 181.06 1n4p h GLN 167 N 0.77 1.07 -0.22 4.88 7.50 -1.93 -2.24 115.11 124.94 1n4p h GLN 167 Ca 0.15 -0.12 -0.13 0.00 0.50 0.00 0.00 58.65 59.05 1n4p h GLN 167 Cb 0.46 -0.21 -0.01 0.00 0.05 0.00 0.00 27.48 27.77 1n4p h GLN 167 CO 0.02 0.79 -0.43 -0.39 -1.50 0.00 0.00 178.83 177.31 1n4p h VAL 168 N 1.08 1.31 -0.07 -0.54 -1.51 -1.83 -1.02 116.25 113.67 1n4p h VAL 168 Ca 0.27 -1.61 -0.16 0.00 -1.23 0.00 0.00 66.70 63.98 1n4p h VAL 168 Cb 0.03 1.61 -0.01 0.00 -2.13 0.00 0.00 31.29 30.78 1n4p h VAL 168 CO -0.04 0.50 -0.65 -0.50 -1.23 0.00 0.00 177.57 175.65 1n4p h TRP 169 N 0.43 0.35 -0.37 5.19 4.06 -1.55 -2.25 115.95 121.81 1n4p h TRP 169 Ca 0.03 -0.14 -0.09 0.00 2.06 0.00 0.00 58.89 60.75 1n4p h TRP 169 Cb 0.93 -0.06 -0.01 0.00 -1.00 0.00 0.00 29.16 29.02 1n4p h TRP 169 CO 0.03 0.84 -0.13 1.25 -3.56 0.00 0.00 178.44 176.87 1n4p h HIS 170 N 0.19 0.84 -0.40 0.49 2.76 -1.18 -2.21 115.15 115.63 1n4p h HIS 170 Ca -0.01 -0.19 0.03 0.00 -2.20 0.00 0.00 60.37 57.99 1n4p h HIS 170 Cb 1.18 -0.20 -0.03 0.00 1.55 0.00 0.00 27.41 29.91 1n4p h HIS 170 CO 0.03 0.91 0.20 1.25 -1.30 0.00 0.00 177.93 179.02 1n4p h HIS 171 N 0.53 0.38 -0.73 5.26 6.17 -1.09 -1.70 115.15 123.97 1n4p h HIS 171 Ca 0.09 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.19 1n4p h HIS 171 Cb 0.66 -0.11 -0.04 0.00 2.52 0.00 0.00 27.41 30.45 1n4p h HIS 171 CO 0.05 0.20 0.47 -0.09 0.71 0.00 0.00 177.93 179.27 1n4p h ARG 172 N 0.41 0.98 -0.71 5.26 2.43 -1.30 -2.04 114.38 119.41 1n4p h ARG 172 Ca 0.17 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.23 1n4p h ARG 172 Cb 0.07 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.38 1n4p h ARG 172 CO -0.12 0.66 0.28 -0.09 -1.51 0.00 0.00 179.97 179.19 1n4p h ARG 173 N 1.00 1.06 -0.68 0.20 2.43 -0.91 -0.96 114.38 116.52 1n4p h ARG 173 Ca 0.27 -0.18 -0.05 0.00 -0.81 0.00 0.00 59.98 59.20 1n4p h ARG 173 Cb -0.09 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.26 1n4p h ARG 173 CO -0.05 0.86 0.23 0.28 -1.51 0.00 0.00 179.97 179.78 1n4p h VAL 174 N 1.03 1.25 -0.17 0.20 2.07 -0.93 -1.53 116.25 118.18 1n4p h VAL 174 Ca 0.24 -0.83 -0.00 0.00 0.82 0.00 0.00 66.70 66.92 1n4p h VAL 174 Cb 0.21 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1n4p h VAL 174 CO -0.02 0.33 0.10 -0.07 0.02 0.00 0.00 177.57 177.93 1n4p h LEU 175 N 0.98 0.20 -1.24 2.57 3.38 -0.76 -0.18 115.31 120.26 1n4p h LEU 175 Ca 0.22 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1n4p h LEU 175 Cb 0.27 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 1n4p h LEU 175 CO -0.01 0.19 0.45 0.58 0.09 0.00 0.00 178.44 179.74 1n4p h VAL 176 N 0.19 1.19 -0.33 1.22 2.07 -1.04 0.07 116.25 119.63 1n4p h VAL 176 Ca 0.06 -0.40 -0.04 0.00 0.82 0.00 0.00 66.70 67.14 1n4p h VAL 176 Cb 0.03 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 29.95 1n4p h VAL 176 CO -0.01 0.20 0.06 -0.33 0.02 0.00 0.00 177.57 177.50 1n4p h GLU 177 N 0.98 0.54 -0.26 1.57 5.08 -0.83 0.13 114.58 121.79 1n4p h GLU 177 Ca 0.26 -0.14 0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1n4p h GLU 177 Cb -0.07 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 1n4p h GLU 177 CO -0.05 0.62 0.13 -1.49 -1.00 0.00 0.00 179.01 177.23 1n4p h TRP 178 N 0.37 0.25 0.00 4.33 6.55 -0.19 -2.64 115.95 124.61 1n4p h TRP 178 Ca 0.10 0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.95 1n4p h TRP 178 Cb 0.34 -0.08 0.00 0.00 -0.86 0.00 0.00 29.16 28.57 1n4p h TRP 178 CO 0.02 0.14 0.00 -0.07 -1.05 0.00 0.00 178.44 177.49 1n4p h LEU 179 N 0.28 0.00 1.24 -4.49 3.38 -0.93 -3.46 115.31 111.33 1n4p h LEU 179 Ca 0.10 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.72 1n4p h LEU 179 Cb 0.02 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1n4p h LEU 179 CO -0.06 0.00 -0.50 0.29 0.09 0.00 0.00 178.44 178.25 1n4p n LYS 180 N -2.62 -3.39 -3.90 1.13 5.02 0.43 -4.93 118.16 109.90 1n4p n LYS 180 Ca 0.04 0.62 -0.30 0.00 -2.02 0.00 0.00 58.31 56.65 1n4p n LYS 180 Cb 0.40 -5.34 -0.15 0.00 -0.02 0.00 0.00 35.03 29.92 1n4p n LYS 180 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1n4p s ASP 181 N -2.52 3.95 0.00 4.39 3.68 -1.19 -4.98 116.67 120.00 1n4p s ASP 181 Ca 0.26 -1.36 0.20 0.00 2.13 0.00 0.00 52.55 53.78 1n4p s ASP 181 Cb -0.13 -1.15 0.44 0.00 -1.45 0.00 0.00 42.92 40.62 1n4p s ASP 181 CO 0.32 -0.29 1.37 -0.81 0.13 0.00 0.00 175.17 175.90 1n4p n PRO 182 N 4.67 2.47 -0.06 4.34 -0.04 -1.26 -4.63 135.00 140.48 1n4p n PRO 182 Ca -0.08 -2.27 0.24 0.00 -0.04 0.00 0.00 63.50 61.35 1n4p n PRO 182 Cb 0.44 -1.47 0.72 0.00 -0.04 0.00 0.00 33.50 33.15 1n4p n PRO 182 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1n4p h SER 183 N 3.89 0.00 0.59 3.54 4.64 -2.01 -1.98 113.55 122.22 1n4p h SER 183 Ca 0.00 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.09 1n4p h SER 183 Cb 0.91 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.96 1n4p h SER 183 CO 0.00 0.00 -1.57 0.00 -0.87 0.00 0.00 176.83 174.39 1n4p n GLN 184 N -4.11 0.63 -0.02 4.77 6.02 -1.26 -4.72 117.38 118.68 1n4p n GLN 184 Ca 0.13 0.26 -0.11 0.00 -0.01 0.00 0.00 57.00 57.28 1n4p n GLN 184 Cb 0.80 -1.80 -0.07 0.00 1.02 0.00 0.00 30.24 30.19 1n4p n GLN 184 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1n4p h GLU 185 N 0.00 -0.37 -0.95 -1.09 4.39 -1.68 -2.27 114.58 112.61 1n4p h GLU 185 Ca -0.23 0.03 0.16 0.00 0.34 0.00 0.00 59.36 59.65 1n4p h GLU 185 Cb 1.81 0.08 -0.08 0.00 -0.10 0.00 0.00 28.75 30.46 1n4p h GLU 185 CO 0.06 -0.25 0.60 -0.07 -1.16 0.00 0.00 179.01 178.20 1n4p h LEU 186 N -0.39 0.72 -0.18 1.33 3.38 -1.85 -0.32 115.31 118.01 1n4p h LEU 186 Ca 0.03 0.06 -0.19 0.00 0.09 0.00 0.00 57.88 57.86 1n4p h LEU 186 Cb 0.47 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.14 1n4p h LEU 186 CO -0.33 0.33 -0.63 -0.08 0.09 0.00 0.00 178.44 177.82 1n4p h GLU 187 N 0.74 0.74 -0.15 1.13 4.81 -1.85 -1.85 114.58 118.15 1n4p h GLU 187 Ca 0.50 -0.56 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1n4p h GLU 187 Cb 0.77 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.25 1n4p h GLU 187 CO -0.26 1.18 0.08 0.35 -0.73 0.00 0.00 179.01 179.63 1n4p h PHE 188 N 0.45 0.21 -0.80 0.92 3.57 -0.76 -2.07 116.94 118.45 1n4p h PHE 188 Ca -0.03 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 1n4p h PHE 188 Cb 1.26 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.90 1n4p h PHE 188 CO 0.09 0.21 0.42 0.82 -2.23 0.00 0.00 178.31 177.61 1n4p h ILE 189 N 0.14 1.24 -0.04 1.41 2.04 -1.11 -1.48 117.51 119.72 1n4p h ILE 189 Ca 0.05 -0.63 -0.03 0.00 1.00 0.00 0.00 64.86 65.25 1n4p h ILE 189 Cb 0.07 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.32 1n4p h ILE 189 CO -0.01 0.28 -0.14 0.00 0.00 0.00 0.00 178.15 178.28 1n4p h ALA 190 N 1.33 1.70 -0.24 1.87 0.00 -1.03 0.12 119.26 123.00 1n4p h ALA 190 Ca 0.28 -0.15 -0.19 0.00 0.00 0.00 0.00 54.91 54.85 1n4p h ALA 190 Cb 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1n4p h ALA 190 CO -0.04 0.23 -0.60 -0.44 0.00 0.00 0.00 179.25 178.40 1n4p h ASP 191 N 0.06 0.95 -0.26 0.00 3.32 -0.58 -1.97 116.42 117.93 1n4p h ASP 191 Ca 0.01 -0.56 -0.05 0.00 0.02 0.00 0.00 57.03 56.45 1n4p h ASP 191 Cb 0.29 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1n4p h ASP 191 CO 0.02 1.34 -0.04 0.40 -1.72 0.00 0.00 179.24 179.24 1n4p h ILE 192 N 0.60 1.27 0.00 0.35 1.08 -0.88 -2.35 117.51 117.58 1n4p h ILE 192 Ca -0.01 -1.02 0.00 0.00 -0.39 0.00 0.00 64.86 63.45 1n4p h ILE 192 Cb 1.21 1.41 0.00 0.00 -3.07 0.00 0.00 36.82 36.37 1n4p h ILE 192 CO 0.13 0.32 0.00 0.18 -0.69 0.00 0.00 178.15 178.09 1n4p n LEU 193 N -4.57 0.48 0.18 1.44 4.77 0.37 -0.99 117.00 118.69 1n4p n LEU 193 Ca -0.03 0.67 0.12 0.00 -0.03 0.00 0.00 56.01 56.74 1n4p n LEU 193 Cb 0.28 -0.68 0.12 0.00 -2.33 0.00 0.00 43.42 40.82 1n4p n LEU 193 CO 0.39 -0.70 0.56 -1.13 -1.33 0.00 0.00 177.39 175.17 1n4p h ASN 194 N 0.00 0.00 0.27 -1.43 -0.73 -0.79 -2.06 115.58 110.84 1n4p h ASN 194 Ca 0.00 -0.00 -0.10 0.00 1.87 0.00 0.00 56.30 58.07 1n4p h ASN 194 Cb 0.14 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.72 1n4p h ASN 194 CO 0.00 0.00 -1.82 0.00 -0.37 0.00 0.00 177.43 175.24 1n4p n GLN 195 N -2.95 0.65 -3.24 6.67 6.02 -0.16 -4.78 117.38 119.59 1n4p n GLN 195 Ca 0.03 -0.05 -0.03 0.00 -0.01 0.00 0.00 57.00 56.94 1n4p n GLN 195 Cb 0.53 -1.61 -0.02 0.00 1.02 0.00 0.00 30.24 30.16 1n4p n GLN 195 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1n4p s ASP 196 N -5.04 -0.94 0.00 1.08 2.15 -0.71 -5.02 116.67 108.18 1n4p s ASP 196 Ca -0.06 -0.86 0.03 0.00 0.43 0.00 0.00 52.55 52.09 1n4p s ASP 196 Cb 0.11 1.66 0.16 0.00 -0.30 0.00 0.00 42.92 44.55 1n4p s ASP 196 CO 0.86 -0.20 0.96 0.00 -0.17 0.00 0.00 175.17 176.62 1n4p n ALA 197 N 4.49 1.31 -0.17 3.66 0.00 -0.78 -2.23 120.51 126.79 1n4p n ALA 197 Ca 0.10 -0.01 0.02 0.00 0.00 0.00 0.00 53.44 53.55 1n4p n ALA 197 Cb 0.54 -1.05 0.04 0.00 0.00 0.00 0.00 19.45 18.98 1n4p n ALA 197 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1n4p n LYS 198 N -1.33 2.77 -1.57 0.00 5.02 -1.26 -4.85 118.16 116.95 1n4p n LYS 198 Ca 0.01 -1.72 -0.45 0.00 -2.02 0.00 0.00 58.31 54.13 1n4p n LYS 198 Cb 0.03 -1.11 -0.04 0.00 -0.02 0.00 0.00 35.03 33.89 1n4p n LYS 198 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1n4p n ASN 199 N -0.50 3.05 -0.31 4.39 2.85 -0.94 -4.84 115.26 118.95 1n4p n ASN 199 Ca 0.04 0.31 -0.02 0.00 -0.11 0.00 0.00 54.58 54.80 1n4p n ASN 199 Cb 0.33 -1.48 0.10 0.00 1.24 0.00 0.00 39.78 39.97 1n4p n ASN 199 CO 0.00 0.00 0.00 0.22 -2.11 0.00 0.00 177.26 175.37 1n4p h TYR 200 N 14.00 1.04 -0.54 1.20 3.20 -1.95 -2.44 116.97 131.49 1n4p h TYR 200 Ca -0.38 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.55 1n4p h TYR 200 Cb 1.26 -0.35 -0.04 0.00 1.54 0.00 0.00 36.73 39.14 1n4p h TYR 200 CO 0.94 0.61 0.30 0.45 -1.64 0.00 0.00 178.16 178.82 1n4p h HIS 201 N 1.09 0.56 -0.13 -3.82 3.86 -1.88 -0.96 115.15 113.87 1n4p h HIS 201 Ca 0.33 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.56 1n4p h HIS 201 Cb -0.02 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.27 1n4p h HIS 201 CO -0.02 0.30 0.07 0.00 0.86 0.00 0.00 177.93 179.14 1n4p h ALA 202 N 1.26 0.16 -0.41 2.45 0.00 -1.77 -0.40 119.26 120.55 1n4p h ALA 202 Ca 0.23 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 1n4p h ALA 202 Cb 0.08 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1n4p h ALA 202 CO -0.13 -0.31 0.05 -1.49 0.00 0.00 0.00 179.25 177.37 1n4p h TRP 203 N 0.12 0.66 -0.22 0.00 4.06 -1.24 0.54 115.95 119.86 1n4p h TRP 203 Ca 0.05 -0.06 -0.04 0.00 2.06 0.00 0.00 58.89 60.89 1n4p h TRP 203 Cb 0.06 -0.19 -0.01 0.00 -1.00 0.00 0.00 29.16 28.02 1n4p h TRP 203 CO -0.05 0.60 -0.01 0.37 -3.56 0.00 0.00 178.44 175.80 1n4p h GLN 204 N 0.61 0.40 -0.73 0.49 4.15 -0.85 -1.12 115.11 118.06 1n4p h GLN 204 Ca 0.13 -0.13 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 1n4p h GLN 204 Cb 0.32 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.94 1n4p h GLN 204 CO 0.01 0.60 0.37 1.25 -1.93 0.00 0.00 178.83 179.12 1n4p h HIS 205 N 0.16 1.04 -0.72 3.99 2.76 -0.76 -1.63 115.15 119.98 1n4p h HIS 205 Ca 0.06 -0.04 0.01 0.00 -2.20 0.00 0.00 60.37 58.20 1n4p h HIS 205 Cb 0.42 -0.32 -0.04 0.00 1.55 0.00 0.00 27.41 29.02 1n4p h HIS 205 CO 0.04 0.75 0.47 -0.09 -1.30 0.00 0.00 177.93 177.81 1n4p h ARG 206 N 1.02 0.94 -0.26 5.26 2.43 -0.65 -0.20 114.38 122.92 1n4p h ARG 206 Ca 0.25 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 59.25 1n4p h ARG 206 Cb 0.09 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 1n4p h ARG 206 CO -0.03 0.62 -0.31 1.96 -1.51 0.00 0.00 179.97 180.70 1n4p h GLN 207 N 0.97 0.55 0.07 0.20 4.20 -0.90 -1.81 115.11 118.39 1n4p h GLN 207 Ca 0.26 -0.24 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 1n4p h GLN 207 Cb -0.11 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.66 1n4p h GLN 207 CO -0.06 0.79 -0.04 2.35 -0.67 0.00 0.00 178.83 181.21 1n4p h TRP 208 N 0.47 -0.09 0.16 2.96 7.01 -0.67 -1.82 115.95 123.97 1n4p h TRP 208 Ca 0.06 -0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.07 1n4p h TRP 208 Cb 0.77 0.03 -0.03 0.00 -2.10 0.00 0.00 29.16 27.84 1n4p h TRP 208 CO 0.03 0.13 -0.24 0.28 -2.79 0.00 0.00 178.44 175.85 1n4p h VAL 209 N -0.30 0.48 -0.73 2.65 2.07 -0.95 0.64 116.25 120.11 1n4p h VAL 209 Ca -0.01 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.61 1n4p h VAL 209 Cb 0.26 0.48 -0.08 0.00 -1.52 0.00 0.00 31.29 30.43 1n4p h VAL 209 CO 0.02 0.00 0.36 0.40 0.02 0.00 0.00 177.57 178.36 1n4p h ILE 210 N -0.46 0.82 -0.05 4.57 2.04 -1.32 -0.89 117.51 122.23 1n4p h ILE 210 Ca 0.02 -0.20 -0.03 0.00 1.00 0.00 0.00 64.86 65.64 1n4p h ILE 210 Cb 0.46 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 1n4p h ILE 210 CO -0.10 0.11 -0.11 -0.61 0.00 0.00 0.00 178.15 177.44 1n4p h GLN 211 N 0.59 0.15 -0.70 2.37 4.15 -1.09 -0.04 115.11 120.55 1n4p h GLN 211 Ca 0.37 -0.10 -0.01 0.00 0.77 0.00 0.00 58.65 59.67 1n4p h GLN 211 Cb 0.41 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.09 1n4p h GLN 211 CO -0.29 0.70 0.39 1.49 -1.93 0.00 0.00 178.83 179.20 1n4p h GLU 212 N -0.37 0.96 -0.21 1.69 4.57 -0.62 -3.02 114.58 117.57 1n4p h GLU 212 Ca -0.00 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 58.08 1n4p h GLU 212 Cb 0.70 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 29.10 1n4p h GLU 212 CO 0.02 0.70 0.00 1.19 -1.18 0.00 0.00 179.01 179.74 1n4p n PHE 213 N -4.38 0.54 -3.74 0.92 3.01 -0.36 -5.01 117.46 108.43 1n4p n PHE 213 Ca 0.07 -0.74 -0.30 0.00 1.01 0.00 0.00 57.45 57.49 1n4p n PHE 213 Cb 0.09 -0.17 0.02 0.00 -0.01 0.00 0.00 39.48 39.41 1n4p n PHE 213 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1n4p n ARG 214 N -0.36 -1.07 -2.46 -1.08 1.74 -0.23 -4.91 116.66 108.29 1n4p n ARG 214 Ca 0.15 0.56 -0.33 0.00 -0.77 0.00 0.00 57.85 57.45 1n4p n ARG 214 Cb 0.64 -3.39 0.01 0.00 -1.02 0.00 0.00 32.46 28.70 1n4p n ARG 214 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1n4p n LEU 215 N -3.71 5.99 0.15 0.55 4.77 -0.20 -4.77 117.00 119.79 1n4p n LEU 215 Ca -0.15 -5.25 0.05 0.00 -0.03 0.00 0.00 56.01 50.63 1n4p n LEU 215 Cb 0.60 -0.80 0.06 0.00 -2.33 0.00 0.00 43.42 40.95 1n4p n LEU 215 CO 0.66 2.09 0.51 -0.50 -1.33 0.00 0.00 177.39 178.83 1n4p h TRP 216 N 3.12 0.00 -0.91 -1.77 4.06 -1.91 -3.40 115.95 115.13 1n4p h TRP 216 Ca 0.39 0.00 0.30 0.00 2.06 0.00 0.00 58.89 61.63 1n4p h TRP 216 Cb 0.46 0.00 -0.17 0.00 -1.00 0.00 0.00 29.16 28.45 1n4p h TRP 216 CO 1.03 0.36 0.18 -0.25 -3.56 0.00 0.00 178.44 176.20 1n4p n ASP 217 N -3.16 0.04 -0.24 -3.49 10.43 -1.26 -2.42 116.55 116.44 1n4p n ASP 217 Ca 0.02 1.54 0.02 0.00 2.57 0.00 0.00 54.79 58.94 1n4p n ASP 217 Cb 0.68 -0.62 0.05 0.00 1.84 0.00 0.00 41.12 43.07 1n4p n ASP 217 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1n4p n ASN 218 N -5.25 1.99 -0.16 -2.24 4.13 -1.26 -4.74 115.26 107.72 1n4p n ASN 218 Ca 0.26 -1.67 -0.10 0.00 1.68 0.00 0.00 54.58 54.74 1n4p n ASN 218 Cb 0.86 -0.06 -0.00 0.00 -1.54 0.00 0.00 39.78 39.04 1n4p n ASN 218 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 1n4p h GLU 219 N 0.90 0.89 0.00 3.52 4.57 -1.71 -2.18 114.58 120.56 1n4p h GLU 219 Ca 0.00 -0.32 -0.01 0.00 -1.18 0.00 0.00 59.36 57.85 1n4p h GLU 219 Cb 0.44 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.96 1n4p h GLU 219 CO 0.00 0.96 -0.04 1.25 -1.18 0.00 0.00 179.01 180.00 1n4p h LEU 220 N 0.74 0.00 0.06 1.64 5.85 -1.85 0.85 115.31 122.59 1n4p h LEU 220 Ca 0.13 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.56 1n4p h LEU 220 Cb 0.61 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.66 1n4p h LEU 220 CO 0.04 0.04 -1.19 -0.61 -0.34 0.00 0.00 178.44 176.38 1n4p h GLN 221 N 0.00 0.54 -0.73 1.25 4.15 -1.83 -2.18 115.11 116.32 1n4p h GLN 221 Ca -0.00 -0.71 -0.05 0.00 0.77 0.00 0.00 58.65 58.66 1n4p h GLN 221 Cb 0.10 0.23 -0.03 0.00 0.21 0.00 0.00 27.48 27.99 1n4p h GLN 221 CO 0.01 1.31 0.25 -0.92 -1.93 0.00 0.00 178.83 177.55 1n4p h TYR 222 N 0.25 1.15 -0.19 3.99 3.20 -0.54 -1.74 116.97 123.07 1n4p h TYR 222 Ca -0.16 -0.10 -0.01 0.00 3.14 0.00 0.00 58.73 61.60 1n4p h TYR 222 Cb 1.86 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 39.78 1n4p h TYR 222 CO 0.10 0.90 0.08 0.28 -1.64 0.00 0.00 178.16 177.87 1n4p h VAL 223 N 1.06 1.16 -0.68 1.81 2.07 -0.90 -1.82 116.25 118.95 1n4p h VAL 223 Ca 0.24 -0.48 0.05 0.00 0.82 0.00 0.00 66.70 67.33 1n4p h VAL 223 Cb 0.27 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 1n4p h VAL 223 CO -0.01 0.15 0.45 0.44 0.02 0.00 0.00 177.57 178.62 1n4p h ASP 224 N 0.16 0.66 -0.26 0.57 3.32 -1.11 -0.67 116.42 119.09 1n4p h ASP 224 Ca 0.06 -0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.05 1n4p h ASP 224 Cb 0.17 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1n4p h ASP 224 CO -0.01 0.44 -0.09 -0.61 -1.72 0.00 0.00 179.24 177.26 1n4p h GLN 225 N 0.76 0.53 -0.09 3.56 4.15 -1.00 -2.99 115.11 120.03 1n4p h GLN 225 Ca 0.28 -0.21 -0.12 0.00 0.77 0.00 0.00 58.65 59.37 1n4p h GLN 225 Cb 0.15 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.81 1n4p h GLN 225 CO -0.08 0.76 -0.47 -0.07 -1.93 0.00 0.00 178.83 177.03 1n4p h LEU 226 N 0.27 0.23 -1.57 -2.39 3.38 -0.74 -2.52 115.31 111.98 1n4p h LEU 226 Ca 0.06 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1n4p h LEU 226 Cb 0.58 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1n4p h LEU 226 CO 0.03 0.67 0.00 -0.07 0.09 0.00 0.00 178.44 179.16 1n4p h LEU 227 N 0.18 0.00 0.12 1.67 3.38 -1.12 -1.15 115.31 118.39 1n4p h LEU 227 Ca 0.01 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.71 1n4p h LEU 227 Cb 0.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1n4p h LEU 227 CO 0.07 0.00 -1.24 0.11 0.09 0.00 0.00 178.44 177.47 1n4p h LYS 228 N 0.00 0.25 -0.11 1.13 6.56 -1.30 -2.42 116.57 120.68 1n4p h LYS 228 Ca 0.00 -0.43 -0.13 0.00 -1.06 0.00 0.00 60.65 59.02 1n4p h LYS 228 Cb 0.45 0.16 -0.01 0.00 -0.57 0.00 0.00 32.23 32.26 1n4p h LYS 228 CO 0.00 1.20 -0.51 0.93 -2.06 0.00 0.00 179.45 179.01 1n4p h GLU 229 N 0.07 0.30 -0.80 3.15 5.08 -1.07 -3.42 114.58 117.90 1n4p h GLU 229 Ca -0.13 -0.18 0.02 0.00 -1.00 0.00 0.00 59.36 58.07 1n4p h GLU 229 Cb 1.96 0.01 -0.19 0.00 0.50 0.00 0.00 28.75 31.04 1n4p h GLU 229 CO 0.20 0.75 -0.34 0.34 -1.00 0.00 0.00 179.01 178.96 1n4p s ASP 230 N -6.89 -1.25 0.00 1.42 2.15 -0.52 -5.01 116.67 106.57 1n4p s ASP 230 Ca -0.05 -0.38 0.07 0.00 0.43 0.00 0.00 52.55 52.62 1n4p s ASP 230 Cb 0.12 1.65 0.31 0.00 -0.30 0.00 0.00 42.92 44.70 1n4p s ASP 230 CO 0.80 -0.17 1.22 0.55 -0.17 0.00 0.00 175.17 177.40 1n4p n VAL 231 N 4.57 1.49 1.29 1.11 3.14 -0.91 -1.83 118.33 127.20 1n4p n VAL 231 Ca 0.09 0.37 0.13 0.00 -2.96 0.00 0.00 64.34 61.97 1n4p n VAL 231 Cb 0.58 -1.25 0.35 0.00 -1.06 0.00 0.00 33.84 32.46 1n4p n VAL 231 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1n4p n ARG 232 N -1.49 1.52 -2.17 1.45 1.74 -1.26 -4.76 116.66 111.68 1n4p n ARG 232 Ca 0.02 -1.02 -0.40 0.00 -0.77 0.00 0.00 57.85 55.68 1n4p n ARG 232 Cb 0.08 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.02 1n4p n ARG 232 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1n4p s ASN 233 N -2.18 5.67 0.53 0.55 3.84 -0.76 -4.85 114.94 117.73 1n4p s ASN 233 Ca 0.31 0.41 0.18 0.00 0.21 0.00 0.00 52.86 53.97 1n4p s ASN 233 Cb 0.20 -2.54 1.33 0.00 -0.55 0.00 0.00 41.25 39.70 1n4p s ASN 233 CO 0.40 -2.05 2.14 -1.13 -2.79 0.00 0.00 177.10 173.67 1n4p h ASN 234 N 13.20 0.00 -0.32 -4.21 -1.24 -1.90 -2.10 115.58 119.01 1n4p h ASN 234 Ca -0.27 0.00 -0.09 0.00 0.71 0.00 0.00 56.30 56.64 1n4p h ASN 234 Cb 1.14 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 40.17 1n4p h ASN 234 CO 1.18 0.00 -0.11 0.28 -1.29 0.00 0.00 177.43 177.49 1n4p h SER 235 N 0.00 0.74 0.01 1.15 0.02 -1.90 -2.24 113.55 111.33 1n4p h SER 235 Ca 0.03 -0.22 -0.18 0.00 -0.84 0.00 0.00 61.79 60.58 1n4p h SER 235 Cb 0.14 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.48 1n4p h SER 235 CO -0.00 0.88 -0.64 0.58 -1.14 0.00 0.00 176.83 176.50 1n4p h VAL 236 N 0.68 1.32 -0.40 2.27 2.07 -1.71 -1.37 116.25 119.12 1n4p h VAL 236 Ca 0.12 -1.91 -0.07 0.00 0.82 0.00 0.00 66.70 65.66 1n4p h VAL 236 Cb 0.58 1.88 -0.02 0.00 -1.52 0.00 0.00 31.29 32.21 1n4p h VAL 236 CO 0.04 0.60 -0.03 -0.50 0.02 0.00 0.00 177.57 177.69 1n4p h TRP 237 N 0.44 0.69 -0.65 1.57 4.06 -1.41 -0.26 115.95 120.40 1n4p h TRP 237 Ca -0.01 -0.09 -0.07 0.00 2.06 0.00 0.00 58.89 60.77 1n4p h TRP 237 Cb 1.22 -0.19 -0.03 0.00 -1.00 0.00 0.00 29.16 29.16 1n4p h TRP 237 CO 0.06 0.68 0.11 -0.97 -3.56 0.00 0.00 178.44 174.76 1n4p h ASN 238 N 0.61 1.02 -0.78 -3.49 -1.24 -1.16 -2.59 115.58 107.95 1n4p h ASN 238 Ca 0.12 -0.26 -0.05 0.00 0.71 0.00 0.00 56.30 56.82 1n4p h ASN 238 Cb 0.43 -0.27 -0.03 0.00 0.73 0.00 0.00 38.32 39.18 1n4p h ASN 238 CO 0.02 1.02 0.29 -0.61 -1.29 0.00 0.00 177.43 176.86 1n4p h GLN 239 N 0.98 1.18 -0.28 6.67 5.75 -0.50 -1.35 115.11 127.56 1n4p h GLN 239 Ca 0.20 -0.23 0.04 0.00 -0.15 0.00 0.00 58.65 58.51 1n4p h GLN 239 Cb 0.42 -0.19 -0.04 0.00 1.07 0.00 0.00 27.48 28.75 1n4p h GLN 239 CO 0.01 0.97 0.07 -0.09 -2.65 0.00 0.00 178.83 177.14 1n4p h ARG 240 N 1.15 0.17 -0.06 1.69 2.43 -0.75 0.47 114.38 119.47 1n4p h ARG 240 Ca 0.26 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.35 1n4p h ARG 240 Cb 0.25 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1n4p h ARG 240 CO -0.02 0.11 -0.26 1.25 -1.51 0.00 0.00 179.97 179.55 1n4p h HIS 241 N 0.18 0.12 -0.00 2.20 2.76 -1.15 -2.05 115.15 117.20 1n4p h HIS 241 Ca 0.13 -0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.28 1n4p h HIS 241 Cb 0.13 -0.03 -0.00 0.00 1.55 0.00 0.00 27.41 29.05 1n4p h HIS 241 CO -0.16 0.37 0.00 0.35 -1.30 0.00 0.00 177.93 177.19 1n4p h PHE 242 N 0.10 0.01 0.67 5.26 3.57 -0.10 -1.38 116.94 125.07 1n4p h PHE 242 Ca 0.02 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 1n4p h PHE 242 Cb 0.52 -0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.26 1n4p h PHE 242 CO 0.00 0.24 -0.32 0.28 -2.23 0.00 0.00 178.31 176.29 1n4p h VAL 243 N -0.23 0.33 0.10 1.41 2.07 -0.72 -2.74 116.25 116.46 1n4p h VAL 243 Ca 0.00 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1n4p h VAL 243 Cb 0.24 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 1n4p h VAL 243 CO 0.00 0.01 -0.11 0.40 0.02 0.00 0.00 177.57 177.89 1n4p h ILE 244 N -0.93 0.76 0.00 4.57 2.04 -1.43 -1.85 117.51 120.67 1n4p h ILE 244 Ca -0.09 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1n4p h ILE 244 Cb 0.70 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 1n4p h ILE 244 CO 0.15 0.00 0.00 0.77 0.00 0.00 0.00 178.15 179.07 1n4p h SER 245 N -0.23 0.00 0.01 1.72 4.64 -1.31 0.12 113.55 118.50 1n4p h SER 245 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1n4p h SER 245 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1n4p h SER 245 CO -0.03 0.00 -0.41 0.59 -0.87 0.00 0.00 176.83 176.10 1n4p n ASN 246 N -2.65 1.98 0.00 4.97 3.02 -0.94 -4.40 115.26 117.24 1n4p n ASN 246 Ca -0.01 -1.48 0.00 0.00 -0.03 0.00 0.00 54.58 53.06 1n4p n ASN 246 Cb 0.14 0.40 0.00 0.00 -0.61 0.00 0.00 39.78 39.71 1n4p n ASN 246 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1n4p n THR 247 N 0.01 0.00 -0.02 3.41 -2.24 -0.62 -4.93 114.28 109.90 1n4p n THR 247 Ca 0.10 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.82 1n4p n THR 247 Cb 0.46 -0.03 0.14 0.00 -2.10 0.00 0.00 70.33 68.80 1n4p n THR 247 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1n4p h THR 248 N 0.00 1.28 0.00 4.28 1.35 -1.79 -3.50 112.91 114.54 1n4p h THR 248 Ca 0.00 -1.40 0.00 0.00 -0.55 0.00 0.00 66.41 64.46 1n4p h THR 248 Cb 0.00 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 67.82 1n4p h THR 248 CO 0.00 0.45 0.00 0.61 -0.25 0.00 0.00 175.52 176.33 1n4p n GLY 249 N -0.21 -0.73 0.37 5.82 0.00 0.32 -4.71 105.19 106.05 1n4p n GLY 249 Ca -0.01 -1.72 0.06 0.00 0.00 0.00 0.00 46.02 44.35 1n4p n GLY 249 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1n4p n TYR 250 N -0.72 0.00 0.30 1.61 4.02 -1.26 -4.55 117.16 116.56 1n4p n TYR 250 Ca 0.00 0.00 0.19 0.00 -0.01 0.00 0.00 57.90 58.08 1n4p n TYR 250 Cb 0.00 0.00 0.88 0.00 -0.02 0.00 0.00 39.34 40.20 1n4p n TYR 250 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1n4p h SER 251 N 1.79 0.00 -3.37 7.72 4.64 -2.00 -3.38 113.55 118.96 1n4p h SER 251 Ca 0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 1n4p h SER 251 Cb 0.44 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.46 1n4p h SER 251 CO 0.00 0.00 1.00 -0.62 -0.87 0.00 0.00 176.83 176.34 1n4p s ASP 252 N -5.48 6.45 0.51 4.97 3.68 -1.26 -4.88 116.67 120.66 1n4p s ASP 252 Ca -0.01 0.43 0.36 0.00 2.13 0.00 0.00 52.55 55.45 1n4p s ASP 252 Cb 0.10 -2.55 1.51 0.00 -1.45 0.00 0.00 42.92 40.53 1n4p s ASP 252 CO 0.49 -1.42 1.74 0.03 0.13 0.00 0.00 175.17 176.15 1n4p h ARG 253 N 9.90 0.07 -0.21 4.34 3.08 -1.98 0.55 114.38 130.12 1n4p h ARG 253 Ca -0.25 -0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.66 1n4p h ARG 253 Cb 1.07 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.10 1n4p h ARG 253 CO 1.14 0.04 -0.45 0.00 -1.07 0.00 0.00 179.97 179.64 1n4p h ALA 254 N 1.39 0.83 -0.04 0.04 0.00 -1.93 -1.35 119.26 118.20 1n4p h ALA 254 Ca 0.66 -0.46 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 1n4p h ALA 254 Cb 2.44 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 20.14 1n4p h ALA 254 CO -0.09 0.66 -0.21 0.28 0.00 0.00 0.00 179.25 179.88 1n4p h VAL 255 N 0.43 1.46 -0.73 0.00 2.07 -0.29 -2.25 116.25 116.95 1n4p h VAL 255 Ca 0.03 -1.68 0.08 0.00 0.82 0.00 0.00 66.70 65.95 1n4p h VAL 255 Cb 0.96 2.43 -0.07 0.00 -1.52 0.00 0.00 31.29 33.09 1n4p h VAL 255 CO 0.08 0.47 0.39 0.25 0.02 0.00 0.00 177.57 178.78 1n4p h LEU 256 N -0.33 0.53 -0.48 2.57 5.85 -1.25 0.13 115.31 122.32 1n4p h LEU 256 Ca -0.01 0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.68 1n4p h LEU 256 Cb 0.87 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.84 1n4p h LEU 256 CO 0.04 0.32 -0.01 -0.08 -0.34 0.00 0.00 178.44 178.37 1n4p h GLU 257 N 0.67 0.86 -0.69 1.25 4.81 -1.27 0.29 114.58 120.50 1n4p h GLU 257 Ca 0.35 -0.28 0.01 0.00 -0.13 0.00 0.00 59.36 59.31 1n4p h GLU 257 Cb 0.32 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.59 1n4p h GLU 257 CO -0.24 0.91 0.45 -0.09 -0.73 0.00 0.00 179.01 179.31 1n4p h ARG 258 N 0.72 0.89 -0.15 1.92 2.43 -0.70 -0.29 114.38 119.20 1n4p h ARG 258 Ca 0.14 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.21 1n4p h ARG 258 Cb 0.53 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1n4p h ARG 258 CO 0.03 0.59 -0.08 0.93 -1.51 0.00 0.00 179.97 179.93 1n4p h GLU 259 N 0.92 0.32 -0.49 0.20 4.39 -0.80 0.03 114.58 119.15 1n4p h GLU 259 Ca 0.26 -0.14 -0.05 0.00 0.34 0.00 0.00 59.36 59.77 1n4p h GLU 259 Cb -0.09 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.53 1n4p h GLU 259 CO -0.06 0.65 0.11 0.28 -1.16 0.00 0.00 179.01 178.83 1n4p h VAL 260 N -0.02 1.21 -0.22 3.13 2.07 -0.83 -0.78 116.25 120.82 1n4p h VAL 260 Ca 0.03 -0.76 -0.05 0.00 0.82 0.00 0.00 66.70 66.74 1n4p h VAL 260 Cb 0.56 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1n4p h VAL 260 CO 0.02 0.28 -0.06 -0.61 0.02 0.00 0.00 177.57 177.22 1n4p h GLN 261 N 0.72 0.43 -0.55 1.57 5.75 -0.96 -2.40 115.11 119.67 1n4p h GLN 261 Ca 0.16 -0.17 0.04 0.00 -0.15 0.00 0.00 58.65 58.53 1n4p h GLN 261 Cb 0.27 -0.02 -0.04 0.00 1.07 0.00 0.00 27.48 28.76 1n4p h GLN 261 CO -0.00 0.68 0.31 -0.92 -2.65 0.00 0.00 178.83 176.24 1n4p h TYR 262 N 0.16 0.57 -0.31 3.99 3.20 -0.56 -1.81 116.97 122.20 1n4p h TYR 262 Ca 0.05 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.92 1n4p h TYR 262 Cb 0.52 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 1n4p h TYR 262 CO 0.05 0.30 0.09 1.15 -1.64 0.00 0.00 178.16 178.12 1n4p h THR 263 N 0.60 1.21 -0.62 1.81 2.02 -1.12 -2.02 112.91 114.79 1n4p h THR 263 Ca 0.23 -0.67 0.01 0.00 0.77 0.00 0.00 66.41 66.75 1n4p h THR 263 Cb 0.09 1.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 1n4p h THR 263 CO -0.13 0.23 0.41 -0.07 0.37 0.00 0.00 175.52 176.33 1n4p h LEU 264 N 0.35 0.71 -0.72 2.58 3.38 -1.17 0.23 115.31 120.66 1n4p h LEU 264 Ca 0.10 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 1n4p h LEU 264 Cb 0.26 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 1n4p h LEU 264 CO -0.00 0.51 0.24 -0.33 0.09 0.00 0.00 178.44 178.95 1n4p h GLU 265 N 0.83 1.11 -0.17 1.13 3.07 -0.92 -0.65 114.58 118.99 1n4p h GLU 265 Ca 0.23 -0.23 -0.14 0.00 -0.50 0.00 0.00 59.36 58.72 1n4p h GLU 265 Cb -0.08 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 27.66 1n4p h GLU 265 CO -0.05 0.94 -0.50 0.52 -1.40 0.00 0.00 179.01 178.53 1n4p h MET 266 N 1.06 0.46 -0.59 2.33 2.86 -0.50 -2.71 114.93 117.84 1n4p h MET 266 Ca 0.24 -0.26 -0.10 0.00 -2.06 0.00 0.00 59.70 57.51 1n4p h MET 266 Cb 0.28 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 1n4p h MET 266 CO -0.01 0.85 -0.03 0.82 1.06 0.00 0.00 176.91 179.60 1n4p h ILE 267 N 0.36 1.27 -0.32 -1.22 2.04 -0.26 -2.25 117.51 117.13 1n4p h ILE 267 Ca 0.02 -1.20 -0.04 0.00 1.00 0.00 0.00 64.86 64.64 1n4p h ILE 267 Cb 1.00 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 1n4p h ILE 267 CO 0.09 0.43 0.04 0.11 0.00 0.00 0.00 178.15 178.82 1n4p h LYS 268 N 0.97 0.48 -0.29 2.37 1.57 -0.96 0.26 116.57 120.96 1n4p h LYS 268 Ca 0.16 -0.08 -0.18 0.00 -1.87 0.00 0.00 60.65 58.68 1n4p h LYS 268 Cb 0.60 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.83 1n4p h LYS 268 CO 0.04 0.47 -0.54 -0.07 -0.57 0.00 0.00 179.45 178.78 1n4p h LEU 269 N 0.47 0.96 -6.21 2.94 4.07 -1.16 -3.39 115.31 112.99 1n4p h LEU 269 Ca 0.11 -0.51 -0.53 0.00 0.08 0.00 0.00 57.88 57.02 1n4p h LEU 269 Cb 0.24 -0.28 -0.35 0.00 1.08 0.00 0.00 40.66 41.35 1n4p h LEU 269 CO 0.00 1.31 -0.91 -0.69 -1.08 0.00 0.00 178.44 177.07 1n4p s VAL 270 N -4.14 0.14 0.54 1.22 1.01 -0.87 -5.02 120.40 113.28 1n4p s VAL 270 Ca -0.10 -2.36 0.27 0.00 0.00 0.00 0.00 61.98 59.79 1n4p s VAL 270 Cb 0.10 -1.08 0.42 0.00 0.00 0.00 0.00 36.38 35.83 1n4p s VAL 270 CO 0.89 -1.06 1.96 1.55 0.00 0.00 0.00 175.10 178.44 1n4p h PRO 271 N 5.66 0.00 -3.50 2.72 0.13 -0.70 -3.26 132.00 133.05 1n4p h PRO 271 Ca 0.23 0.00 -0.79 0.00 -0.87 0.00 0.00 66.00 64.57 1n4p h PRO 271 Cb 0.94 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 31.83 1n4p h PRO 271 CO 0.32 0.00 0.96 1.58 -0.23 0.00 0.00 178.00 180.62 1n4p n HIS 272 N -4.31 3.79 -3.49 1.56 -0.00 -1.26 -4.88 115.22 106.63 1n4p n HIS 272 Ca 0.12 -3.18 -0.24 0.00 0.46 0.00 0.00 57.72 54.88 1n4p n HIS 272 Cb 0.71 -1.66 -0.13 0.00 -0.12 0.00 0.00 29.99 28.80 1n4p n HIS 272 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 1n4p s ASN 273 N 0.36 2.73 0.31 0.26 2.47 -1.23 -5.02 114.94 114.82 1n4p s ASN 273 Ca 0.34 -1.02 0.04 0.00 0.42 0.00 0.00 52.86 52.64 1n4p s ASN 273 Cb -0.01 -0.01 0.64 0.00 -1.45 0.00 0.00 41.25 40.43 1n4p s ASN 273 CO 0.01 -0.41 1.86 -0.08 -3.72 0.00 0.00 177.10 174.76 1n4p h GLU 274 N 8.35 0.87 -0.21 0.43 4.81 -1.93 -2.69 114.58 124.21 1n4p h GLU 274 Ca -0.17 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.03 1n4p h GLU 274 Cb 1.05 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 30.20 1n4p h GLU 274 CO 0.39 0.57 0.04 0.77 -0.73 0.00 0.00 179.01 180.05 1n4p h SER 275 N 0.89 0.01 -0.33 1.04 0.02 -1.92 0.17 113.55 113.43 1n4p h SER 275 Ca 0.46 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.44 1n4p h SER 275 Cb 0.51 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.08 1n4p h SER 275 CO -0.22 0.03 0.18 0.00 -1.14 0.00 0.00 176.83 175.69 1n4p h ALA 276 N 1.16 0.42 -0.59 3.77 0.00 -1.78 -1.65 119.26 120.59 1n4p h ALA 276 Ca 0.10 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1n4p h ALA 276 Cb 0.10 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1n4p h ALA 276 CO -0.13 -0.05 0.17 -1.49 0.00 0.00 0.00 179.25 177.75 1n4p h TRP 277 N 0.41 0.92 -0.36 0.00 4.06 -1.23 -1.41 115.95 118.34 1n4p h TRP 277 Ca 0.12 -0.08 -0.09 0.00 2.06 0.00 0.00 58.89 60.90 1n4p h TRP 277 Cb 0.05 -0.27 -0.02 0.00 -1.00 0.00 0.00 29.16 27.93 1n4p h TRP 277 CO -0.03 0.75 -0.14 -0.91 -3.56 0.00 0.00 178.44 174.54 1n4p h ASN 278 N 0.87 0.65 0.02 -3.49 2.35 -0.36 -1.19 115.58 114.42 1n4p h ASN 278 Ca 0.19 -0.19 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1n4p h ASN 278 Cb 0.27 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.47 1n4p h ASN 278 CO -0.01 0.81 -0.01 0.22 -1.65 0.00 0.00 177.43 176.79 1n4p h TYR 279 N 0.59 -0.02 -0.29 1.19 3.20 -0.92 0.33 116.97 121.05 1n4p h TYR 279 Ca 0.10 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.03 1n4p h TYR 279 Cb 0.58 0.01 -0.05 0.00 1.54 0.00 0.00 36.73 38.81 1n4p h TYR 279 CO 0.03 0.30 -0.04 1.25 -1.64 0.00 0.00 178.16 178.06 1n4p h LEU 280 N -0.35 -0.20 -0.75 2.82 5.85 -1.12 -0.67 115.31 120.90 1n4p h LEU 280 Ca -0.00 0.08 -0.11 0.00 0.84 0.00 0.00 57.88 58.69 1n4p h LEU 280 Cb 0.33 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 1n4p h LEU 280 CO 0.00 -0.06 -0.23 0.50 -0.34 0.00 0.00 178.44 178.31 1n4p h LYS 281 N 0.04 0.69 -0.48 1.25 3.64 -1.18 -3.14 116.57 117.40 1n4p h LYS 281 Ca 0.14 -0.28 0.03 0.00 -1.27 0.00 0.00 60.65 59.28 1n4p h LYS 281 Cb 0.20 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.95 1n4p h LYS 281 CO -0.27 0.86 0.26 0.78 -2.27 0.00 0.00 179.45 178.81 1n4p h GLY 282 N 0.98 0.67 1.52 5.01 0.00 0.88 0.31 103.07 112.45 1n4p h GLY 282 Ca 0.08 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.23 1n4p h GLY 282 CO 0.06 0.14 0.00 0.29 0.00 0.00 0.00 176.54 177.02 1n4p n ILE 283 N -4.86 0.04 -0.01 2.60 -5.35 -0.38 -3.94 119.36 107.45 1n4p n ILE 283 Ca 0.03 0.01 -0.01 0.00 -0.27 0.00 0.00 62.75 62.52 1n4p n ILE 283 Cb 0.10 -0.53 -0.02 0.00 -1.74 0.00 0.00 39.64 37.46 1n4p n ILE 283 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1n4p n LEU 284 N -1.26 0.00 -0.33 7.28 4.77 -0.90 -4.76 117.00 121.81 1n4p n LEU 284 Ca 0.15 0.00 0.19 0.00 -0.03 0.00 0.00 56.01 56.31 1n4p n LEU 284 Cb 0.22 0.05 0.43 0.00 -2.33 0.00 0.00 43.42 41.78 1n4p n LEU 284 CO 0.22 0.05 1.20 0.06 -1.33 0.00 0.00 177.39 177.58 1n4p h GLN 285 N 0.00 0.53 0.00 3.23 3.07 -0.53 -0.77 115.11 120.64 1n4p h GLN 285 Ca -0.05 -0.03 -0.06 0.00 0.09 0.00 0.00 58.65 58.60 1n4p h GLN 285 Cb 0.96 -0.12 -0.01 0.00 0.08 0.00 0.00 27.48 28.39 1n4p h GLN 285 CO 0.00 0.35 -0.39 -0.44 0.09 0.00 0.00 178.83 178.44 1n4p h ASP 286 N 0.54 0.00 1.12 0.06 3.45 -1.84 -3.15 116.42 116.61 1n4p h ASP 286 Ca 0.60 0.00 -0.13 0.00 0.43 0.00 0.00 57.03 57.93 1n4p h ASP 286 Cb 1.25 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 40.00 1n4p h ASP 286 CO -0.37 0.27 -0.60 0.03 -1.57 0.00 0.00 179.24 177.01 1n4p h ARG 287 N 0.00 0.00 0.00 3.56 2.47 -1.47 -3.48 114.38 115.46 1n4p h ARG 287 Ca -0.01 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 1n4p h ARG 287 Cb 1.22 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.54 1n4p h ARG 287 CO 0.03 0.60 0.00 0.41 0.56 0.00 0.00 179.97 181.57 1n4p n GLY 288 N 0.90 1.42 0.37 0.04 0.00 -0.75 -4.86 105.19 102.29 1n4p n GLY 288 Ca 0.01 -0.81 0.14 0.00 0.00 0.00 0.00 46.02 45.37 1n4p n GLY 288 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1n4p h LEU 289 N 0.00 0.30 -0.41 0.99 3.38 -1.77 -1.37 115.31 116.44 1n4p h LEU 289 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1n4p h LEU 289 Cb 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1n4p h LEU 289 CO 0.00 0.17 0.00 -1.54 0.09 0.00 0.00 178.44 177.16 1n4p n SER 290 N -4.46 0.46 0.00 -0.43 3.41 -1.26 -2.61 113.62 108.73 1n4p n SER 290 Ca 0.11 0.60 0.16 0.00 -0.26 0.00 0.00 58.87 59.48 1n4p n SER 290 Cb 0.46 -0.70 0.92 0.00 -0.26 0.00 0.00 64.21 64.63 1n4p n SER 290 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1n4p n ARG 291 N -2.00 0.94 -3.57 4.33 1.74 -0.51 -4.35 116.66 113.24 1n4p n ARG 291 Ca 0.03 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.82 1n4p n ARG 291 Cb 0.23 -1.50 -0.09 0.00 -1.02 0.00 0.00 32.46 30.09 1n4p n ARG 291 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1n4p n TYR 292 N -1.02 3.51 -0.28 -1.55 4.01 -1.07 -4.96 117.16 115.80 1n4p n TYR 292 Ca 0.23 -4.13 0.08 0.00 -0.16 0.00 0.00 57.90 53.92 1n4p n TYR 292 Cb 0.12 -0.66 0.23 0.00 -0.31 0.00 0.00 39.34 38.72 1n4p n TYR 292 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1n4p h PRO 293 N 4.73 0.43 0.00 -0.72 0.13 -1.85 -1.01 132.00 133.72 1n4p h PRO 293 Ca 0.18 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 65.25 1n4p h PRO 293 Cb 0.70 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 31.72 1n4p h PRO 293 CO 0.83 0.29 -0.16 -0.91 -0.23 0.00 0.00 178.00 177.81 1n4p h ASN 294 N 0.45 0.00 -0.07 1.44 4.21 -1.98 -2.78 115.58 116.85 1n4p h ASN 294 Ca 0.47 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.95 1n4p h ASN 294 Cb 0.76 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.96 1n4p h ASN 294 CO -0.44 0.16 -0.04 0.25 -1.29 0.00 0.00 177.43 176.07 1n4p h LEU 295 N 0.00 0.15 -0.68 1.61 5.85 -1.58 -0.39 115.31 120.27 1n4p h LEU 295 Ca -0.00 -0.44 0.08 0.00 0.84 0.00 0.00 57.88 58.36 1n4p h LEU 295 Cb 0.49 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.42 1n4p h LEU 295 CO 0.02 0.56 0.35 0.25 -0.34 0.00 0.00 178.44 179.28 1n4p h LEU 296 N -0.25 0.48 -0.19 2.25 5.85 -1.38 0.43 115.31 122.50 1n4p h LEU 296 Ca 0.01 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 1n4p h LEU 296 Cb 0.50 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.49 1n4p h LEU 296 CO 0.01 0.29 -0.10 0.78 -0.34 0.00 0.00 178.44 179.08 1n4p h ASN 297 N 0.62 0.43 -0.42 1.25 2.35 -1.46 -1.68 115.58 116.67 1n4p h ASN 297 Ca 0.32 -0.42 0.04 0.00 -0.55 0.00 0.00 56.30 55.69 1n4p h ASN 297 Cb 0.28 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 1n4p h ASN 297 CO -0.23 0.75 0.28 -0.61 -1.65 0.00 0.00 177.43 175.97 1n4p h GLN 298 N 0.10 0.42 -0.02 0.81 4.15 -0.53 -1.04 115.11 118.99 1n4p h GLN 298 Ca 0.04 -0.03 -0.25 0.00 0.77 0.00 0.00 58.65 59.19 1n4p h GLN 298 Cb 0.59 -0.09 0.02 0.00 0.21 0.00 0.00 27.48 28.20 1n4p h GLN 298 CO 0.03 0.28 -0.98 -0.07 -1.93 0.00 0.00 178.83 176.16 1n4p h LEU 299 N 0.43 0.83 -1.85 -2.39 3.38 -0.78 -3.02 115.31 111.91 1n4p h LEU 299 Ca 0.17 -0.64 -0.03 0.00 0.09 0.00 0.00 57.88 57.47 1n4p h LEU 299 Cb 0.15 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 1n4p h LEU 299 CO -0.04 1.44 -0.14 -0.07 0.09 0.00 0.00 178.44 179.72 1n4p h LEU 300 N 0.38 0.00 -0.35 1.67 3.38 -0.45 -1.02 115.31 118.92 1n4p h LEU 300 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1n4p h LEU 300 Cb 1.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.37 1n4p h LEU 300 CO 0.19 0.14 0.00 0.44 0.09 0.00 0.00 178.44 179.30 1n4p h ASP 301 N 0.00 0.00 0.93 -0.43 3.32 -1.11 -3.14 116.42 115.99 1n4p h ASP 301 Ca -0.00 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.89 1n4p h ASP 301 Cb 0.31 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.83 1n4p h ASP 301 CO 0.02 0.00 -1.15 -0.07 -1.72 0.00 0.00 179.24 176.32 1n4p h LEU 302 N 0.00 0.00 -0.81 1.55 3.38 -1.08 -3.37 115.31 114.98 1n4p h LEU 302 Ca 0.00 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.17 1n4p h LEU 302 Cb 0.81 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.42 1n4p h LEU 302 CO 0.00 0.60 0.07 -0.61 0.09 0.00 0.00 178.44 178.59 1n4p h GLN 303 N 0.00 0.13 -0.20 1.13 4.15 -1.42 -1.63 115.11 117.26 1n4p h GLN 303 Ca -0.11 -0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.32 1n4p h GLN 303 Cb 1.56 -0.03 -0.04 0.00 0.21 0.00 0.00 27.48 29.18 1n4p h GLN 303 CO 0.06 0.08 -0.28 -1.35 -1.93 0.00 0.00 178.83 175.41 1n4p h PRO 304 N 0.13 -0.20 0.00 -2.39 0.11 -1.76 -3.28 132.00 124.61 1n4p h PRO 304 Ca 0.46 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.59 1n4p h PRO 304 Cb 0.86 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1n4p h PRO 304 CO -0.68 -0.13 0.00 -1.13 -0.21 0.00 0.00 178.00 175.85 1n4p n SER 305 N -4.06 0.00 -1.72 -2.05 3.41 -1.00 -4.61 113.62 103.59 1n4p n SER 305 Ca -0.02 0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 1n4p n SER 305 Cb 0.17 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 1n4p n SER 305 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1n4p n HIS 306 N -2.00 0.00 -1.25 7.33 8.25 -0.65 -4.88 115.22 122.01 1n4p n HIS 306 Ca 0.00 -0.22 -0.30 0.00 -0.26 0.00 0.00 57.72 56.94 1n4p n HIS 306 Cb 0.00 -0.28 0.12 0.00 1.12 0.00 0.00 29.99 30.95 1n4p n HIS 306 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1n4p s SER 307 N 1.82 3.91 0.00 0.41 0.15 -1.21 -4.75 113.70 114.03 1n4p s SER 307 Ca 0.00 1.58 0.00 0.00 0.70 0.00 0.00 55.95 58.23 1n4p s SER 307 Cb 0.00 -2.28 0.00 0.00 -1.71 0.00 0.00 66.02 62.03 1n4p s SER 307 CO 0.00 -2.38 0.00 -1.54 1.20 0.00 0.00 173.24 170.52 1n4p n SER 308 N -3.72 0.00 0.31 5.45 3.41 -1.26 -4.86 113.62 112.94 1n4p n SER 308 Ca 0.08 0.00 0.19 0.00 -0.26 0.00 0.00 58.87 58.88 1n4p n SER 308 Cb 0.55 0.00 1.01 0.00 -0.26 0.00 0.00 64.21 65.51 1n4p n SER 308 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1n4p h PRO 309 N 0.00 0.00 -0.33 4.33 0.13 -1.96 -1.49 132.00 132.69 1n4p h PRO 309 Ca 0.00 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.96 1n4p h PRO 309 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 1n4p h PRO 309 CO 0.00 0.02 -0.45 1.88 -0.23 0.00 0.00 178.00 179.22 1n4p h TYR 310 N 0.00 1.08 -0.12 1.56 0.99 -1.95 -1.73 116.97 116.81 1n4p h TYR 310 Ca -0.00 -0.35 -0.02 0.00 2.00 0.00 0.00 58.73 60.36 1n4p h TYR 310 Cb 0.12 -0.21 -0.00 0.00 1.00 0.00 0.00 36.73 37.64 1n4p h TYR 310 CO 0.00 1.18 -0.00 1.25 -0.00 0.00 0.00 178.16 180.58 1n4p h LEU 311 N 0.67 0.21 -0.40 3.88 6.46 -1.65 -1.46 115.31 123.02 1n4p h LEU 311 Ca 0.04 -0.32 0.02 0.00 -0.12 0.00 0.00 57.88 57.50 1n4p h LEU 311 Cb 1.05 -0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 40.89 1n4p h LEU 311 CO 0.11 0.48 0.22 0.40 -0.62 0.00 0.00 178.44 179.03 1n4p h ILE 312 N -0.07 1.02 -0.76 4.05 1.08 -1.45 -1.47 117.51 119.91 1n4p h ILE 312 Ca 0.03 -0.16 0.02 0.00 -0.39 0.00 0.00 64.86 64.36 1n4p h ILE 312 Cb 0.37 0.52 -0.04 0.00 -3.07 0.00 0.00 36.82 34.61 1n4p h ILE 312 CO 0.01 0.08 0.50 0.00 -0.69 0.00 0.00 178.15 178.05 1n4p h ALA 313 N 1.19 1.49 -0.27 1.87 0.00 -1.24 -0.57 119.26 121.73 1n4p h ALA 313 Ca 0.17 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1n4p h ALA 313 Cb 0.04 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1n4p h ALA 313 CO -0.09 0.46 0.09 0.35 0.00 0.00 0.00 179.25 180.06 1n4p h PHE 314 N 1.00 0.42 -0.78 0.00 3.57 -0.52 -1.45 116.94 119.18 1n4p h PHE 314 Ca 0.29 -0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.79 1n4p h PHE 314 Cb -0.07 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 38.50 1n4p h PHE 314 CO -0.00 0.45 0.49 -0.07 -2.23 0.00 0.00 178.31 176.95 1n4p h LEU 315 N 0.27 0.78 -0.51 0.59 3.38 -0.46 0.35 115.31 119.72 1n4p h LEU 315 Ca 0.09 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.09 1n4p h LEU 315 Cb 0.22 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1n4p h LEU 315 CO -0.00 0.52 0.30 0.58 0.09 0.00 0.00 178.44 179.93 1n4p h VAL 316 N 0.92 1.05 -0.48 1.22 2.07 -0.78 -0.85 116.25 119.39 1n4p h VAL 316 Ca 0.33 -0.21 -0.05 0.00 0.82 0.00 0.00 66.70 67.59 1n4p h VAL 316 Cb 0.09 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 1n4p h VAL 316 CO -0.14 0.11 0.08 0.44 0.02 0.00 0.00 177.57 178.08 1n4p h ASP 317 N 0.60 0.70 0.06 0.57 3.45 -0.32 0.35 116.42 121.83 1n4p h ASP 317 Ca 0.21 -0.13 -0.00 0.00 0.43 0.00 0.00 57.03 57.53 1n4p h ASP 317 Cb 0.02 -0.18 0.00 0.00 -0.56 0.00 0.00 39.33 38.61 1n4p h ASP 317 CO -0.09 0.72 -0.03 0.40 -1.57 0.00 0.00 179.24 178.67 1n4p h ILE 318 N 0.72 1.07 -0.88 0.35 2.04 -0.41 -1.05 117.51 119.36 1n4p h ILE 318 Ca 0.16 -0.42 0.03 0.00 1.00 0.00 0.00 64.86 65.63 1n4p h ILE 318 Cb 0.32 1.35 -0.05 0.00 -0.74 0.00 0.00 36.82 37.70 1n4p h ILE 318 CO 0.00 0.11 0.57 1.88 0.00 0.00 0.00 178.15 180.71 1n4p h TYR 319 N -0.26 1.06 -0.31 1.37 0.99 -0.88 -1.23 116.97 117.71 1n4p h TYR 319 Ca -0.01 0.03 -0.05 0.00 2.00 0.00 0.00 58.73 60.70 1n4p h TYR 319 Cb 0.23 -0.35 -0.02 0.00 1.00 0.00 0.00 36.73 37.59 1n4p h TYR 319 CO -0.01 0.61 -0.03 1.49 -0.00 0.00 0.00 178.16 180.22 1n4p h GLU 320 N 1.10 0.49 -0.47 4.88 4.81 -0.69 -0.76 114.58 123.93 1n4p h GLU 320 Ca 0.35 -0.11 -0.09 0.00 -0.13 0.00 0.00 59.36 59.39 1n4p h GLU 320 Cb 0.01 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 1n4p h GLU 320 CO -0.12 0.54 -0.06 0.22 -0.73 0.00 0.00 179.01 178.86 1n4p h ASP 321 N 0.47 0.81 0.39 1.04 -0.00 -0.06 -0.67 116.42 118.39 1n4p h ASP 321 Ca 0.10 -0.23 -0.02 0.00 -0.00 0.00 0.00 57.03 56.88 1n4p h ASP 321 Cb 0.35 -0.22 0.00 0.00 -0.00 0.00 0.00 39.33 39.46 1n4p h ASP 321 CO 0.01 0.91 -0.19 0.24 -0.00 0.00 0.00 179.24 180.22 1n4p h MET 322 N 0.76 -0.50 -0.73 0.28 2.86 -0.41 -1.65 114.93 115.54 1n4p h MET 322 Ca 0.14 0.03 0.15 0.00 -2.06 0.00 0.00 59.70 57.96 1n4p h MET 322 Cb 0.55 0.11 -0.05 0.00 0.06 0.00 0.00 31.60 32.27 1n4p h MET 322 CO 0.03 -0.29 0.49 -0.07 1.06 0.00 0.00 176.91 178.14 1n4p h LEU 323 N -0.60 0.36 -1.23 1.22 3.38 -0.99 0.23 115.31 117.67 1n4p h LEU 323 Ca -0.05 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1n4p h LEU 323 Cb 0.45 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1n4p h LEU 323 CO 0.09 0.19 -0.25 -0.08 0.09 0.00 0.00 178.44 178.48 1n4p h GLU 324 N 0.38 0.22 -1.93 1.13 4.57 -0.56 -3.22 114.58 115.16 1n4p h GLU 324 Ca 0.36 -0.07 -0.70 0.00 -1.18 0.00 0.00 59.36 57.77 1n4p h GLU 324 Cb 0.86 -0.02 -0.33 0.00 -0.16 0.00 0.00 28.75 29.10 1n4p h GLU 324 CO -0.11 0.46 0.33 0.09 -1.18 0.00 0.00 179.01 178.60 1n4p n ASN 325 N -4.17 6.31 -2.51 1.04 3.02 0.79 -4.96 115.26 114.77 1n4p n ASN 325 Ca -0.01 -3.76 -0.03 0.00 -0.03 0.00 0.00 54.58 50.74 1n4p n ASN 325 Cb 0.35 -0.85 0.00 0.00 -0.61 0.00 0.00 39.78 38.68 1n4p n ASN 325 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n4p n GLN 326 N -0.41 -0.20 -1.21 3.52 10.64 -1.21 -4.90 117.38 123.61 1n4p n GLN 326 Ca 0.46 0.11 -0.16 0.00 -1.83 0.00 0.00 57.00 55.57 1n4p n GLN 326 Cb 0.38 -0.28 0.11 0.00 -0.86 0.00 0.00 30.24 29.59 1n4p n GLN 326 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1n4p s ASP 328 N -3.65 6.73 -0.48 0.00 1.01 -1.26 -4.13 116.67 114.88 1n4p s ASP 328 Ca 0.41 0.87 -0.03 0.00 0.71 0.00 0.00 52.55 54.51 1n4p s ASP 328 Cb -0.01 -2.22 0.00 0.00 1.01 0.00 0.00 42.92 41.70 1n4p s ASP 328 CO 0.29 0.32 0.42 0.59 0.21 0.00 0.00 175.17 177.00 1n4p n ASN 329 N 1.97 -3.53 -0.25 0.27 4.13 -1.26 -4.83 115.26 111.76 1n4p n ASN 329 Ca -0.15 -0.19 -0.00 0.00 1.68 0.00 0.00 54.58 55.92 1n4p n ASN 329 Cb 0.53 -2.11 0.07 0.00 -1.54 0.00 0.00 39.78 36.73 1n4p n ASN 329 CO 0.00 0.00 0.00 0.50 0.28 0.00 0.00 177.26 178.04 1n4p h LYS 330 N -0.96 -0.03 0.00 3.52 3.64 -1.99 0.40 116.57 121.15 1n4p h LYS 330 Ca -0.20 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.15 1n4p h LYS 330 Cb 1.13 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.95 1n4p h LYS 330 CO 0.20 -0.02 -0.16 1.49 -2.27 0.00 0.00 179.45 178.69 1n4p h GLU 331 N -0.04 0.00 0.00 1.90 4.57 -1.92 -1.30 114.58 117.81 1n4p h GLU 331 Ca 0.33 0.00 -0.26 0.00 -1.18 0.00 0.00 59.36 58.25 1n4p h GLU 331 Cb 0.55 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.16 1n4p h GLU 331 CO -0.76 0.16 -1.04 0.22 -1.18 0.00 0.00 179.01 176.41 1n4p h ASP 332 N 0.00 0.86 -0.19 1.04 3.58 -0.66 -3.06 116.42 117.99 1n4p h ASP 332 Ca -0.00 -0.70 -0.02 0.00 0.42 0.00 0.00 57.03 56.73 1n4p h ASP 332 Cb 0.29 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.07 1n4p h ASP 332 CO 0.02 1.50 0.04 0.40 -2.88 0.00 0.00 179.24 178.31 1n4p h ILE 333 N 0.37 1.22 -1.00 2.25 1.08 -0.69 -2.40 117.51 118.34 1n4p h ILE 333 Ca -0.13 -0.71 0.16 0.00 -0.39 0.00 0.00 64.86 63.79 1n4p h ILE 333 Cb 1.69 1.32 -0.10 0.00 -3.07 0.00 0.00 36.82 36.67 1n4p h ILE 333 CO 0.20 0.22 0.62 0.25 -0.69 0.00 0.00 178.15 178.75 1n4p h LEU 334 N 0.12 0.82 -0.75 1.44 5.85 -1.32 0.88 115.31 122.35 1n4p h LEU 334 Ca 0.06 0.07 -0.13 0.00 0.84 0.00 0.00 57.88 58.72 1n4p h LEU 334 Cb 0.30 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1n4p h LEU 334 CO 0.00 0.36 -0.62 0.78 -0.34 0.00 0.00 178.44 178.61 1n4p h ASN 335 N 0.84 0.00 -0.12 1.25 2.35 -1.39 -0.02 115.58 118.48 1n4p h ASN 335 Ca 0.54 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 56.20 1n4p h ASN 335 Cb 0.75 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.11 1n4p h ASN 335 CO -0.32 0.62 -0.19 0.11 -1.65 0.00 0.00 177.43 176.00 1n4p h LYS 336 N 0.00 0.53 0.48 0.81 1.57 -0.38 -0.12 116.57 119.47 1n4p h LYS 336 Ca -0.01 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.57 1n4p h LYS 336 Cb 1.11 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1n4p h LYS 336 CO 0.08 0.70 -0.23 0.00 -0.57 0.00 0.00 179.45 179.43 1n4p h ALA 337 N 1.32 -0.66 -0.95 3.86 0.00 -0.87 -2.79 119.26 119.16 1n4p h ALA 337 Ca 0.08 -0.14 0.23 0.00 0.00 0.00 0.00 54.91 55.07 1n4p h ALA 337 Cb 0.61 0.25 -0.07 0.00 0.00 0.00 0.00 17.79 18.57 1n4p h ALA 337 CO 0.04 -0.61 0.63 -0.07 0.00 0.00 0.00 179.25 179.24 1n4p h LEU 338 N -1.15 0.38 -0.89 0.00 3.38 -0.97 0.27 115.31 116.33 1n4p h LEU 338 Ca -0.07 0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 1n4p h LEU 338 Cb 0.50 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1n4p h LEU 338 CO 0.11 0.13 -0.22 -0.08 0.09 0.00 0.00 178.44 178.47 1n4p h GLU 339 N 0.37 0.57 -0.08 1.13 4.81 -1.02 -2.08 114.58 118.29 1n4p h GLU 339 Ca 0.50 -0.21 -0.20 0.00 -0.13 0.00 0.00 59.36 59.33 1n4p h GLU 339 Cb 1.32 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 30.68 1n4p h GLU 339 CO -0.19 0.75 -0.73 -0.07 -0.73 0.00 0.00 179.01 178.04 1n4p h LEU 340 N 0.51 0.78 -0.41 1.64 3.38 -0.27 -2.50 115.31 118.44 1n4p h LEU 340 Ca 0.08 -0.68 0.07 0.00 0.09 0.00 0.00 57.88 57.44 1n4p h LEU 340 Cb 0.65 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.11 1n4p h LEU 340 CO 0.05 1.34 0.04 0.00 0.09 0.00 0.00 178.44 179.96 1n4p h GLU 342 N 0.16 0.51 -0.70 0.00 4.57 -1.40 -0.41 114.58 117.31 1n4p h GLU 342 Ca 0.20 -0.14 -0.05 0.00 -1.18 0.00 0.00 59.36 58.19 1n4p h GLU 342 Cb 0.27 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.77 1n4p h GLU 342 CO -0.30 0.62 0.24 0.82 -1.18 0.00 0.00 179.01 179.20 1n4p h ILE 343 N 0.47 1.25 0.21 2.32 2.04 -0.68 0.23 117.51 123.35 1n4p h ILE 343 Ca 0.09 -0.83 -0.01 0.00 1.00 0.00 0.00 64.86 65.10 1n4p h ILE 343 Cb 0.48 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 1n4p h ILE 343 CO 0.03 0.33 -0.10 -0.07 0.00 0.00 0.00 178.15 178.34 1n4p h LEU 344 N 1.03 -0.24 -1.32 1.44 3.38 -0.18 -0.25 115.31 119.17 1n4p h LEU 344 Ca 0.23 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1n4p h LEU 344 Cb 0.26 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1n4p h LEU 344 CO -0.01 0.04 0.13 0.00 0.09 0.00 0.00 178.44 178.69 1n4p h ALA 345 N 0.20 1.46 0.00 1.53 0.00 -0.90 0.22 119.26 121.77 1n4p h ALA 345 Ca -0.03 -0.14 -0.23 0.00 0.00 0.00 0.00 54.91 54.51 1n4p h ALA 345 Cb 0.40 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1n4p h ALA 345 CO 0.05 0.40 -1.40 0.87 0.00 0.00 0.00 179.25 179.17 1n4p h LYS 346 N 0.58 0.00 0.00 0.00 1.57 -0.54 -3.41 116.57 114.78 1n4p h LYS 346 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1n4p h LYS 346 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1n4p h LYS 346 CO -0.01 0.53 0.00 -0.85 -0.57 0.00 0.00 179.45 178.55 1n4p n GLU 347 N -3.07 0.28 -0.09 3.15 0.00 -0.20 -4.91 120.64 115.79 1n4p n GLU 347 Ca -0.10 0.00 -0.08 0.00 0.00 0.00 0.00 57.16 56.97 1n4p n GLU 347 Cb 0.95 -0.02 -0.16 0.00 0.00 0.00 0.00 31.44 32.21 1n4p n GLU 347 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1n4p n LYS 348 N 0.00 0.69 -2.81 3.44 4.76 -0.62 -4.67 118.16 118.95 1n4p n LYS 348 Ca 0.00 -0.02 -0.11 0.00 -2.87 0.00 0.00 58.31 55.31 1n4p n LYS 348 Cb 0.00 -1.52 0.04 0.00 -1.84 0.00 0.00 35.03 31.71 1n4p n LYS 348 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1n4p n ASP 349 N -2.72 0.18 -0.16 4.39 4.64 0.76 -4.51 116.55 119.14 1n4p n ASP 349 Ca -0.31 -2.85 0.22 0.00 -1.38 0.00 0.00 54.79 50.47 1n4p n ASP 349 Cb 1.12 0.04 0.61 0.00 -1.04 0.00 0.00 41.12 41.85 1n4p n ASP 349 CO 0.00 0.00 0.00 0.71 -0.82 0.00 0.00 177.20 177.09 1n4p h THR 350 N 2.30 0.67 0.00 5.18 1.35 -1.75 0.11 112.91 120.77 1n4p h THR 350 Ca -0.09 -0.07 -0.00 0.00 -0.55 0.00 0.00 66.41 65.71 1n4p h THR 350 Cb 1.14 0.46 -0.00 0.00 -1.73 0.00 0.00 68.15 68.02 1n4p h THR 350 CO 0.34 0.04 -0.00 -0.29 -0.25 0.00 0.00 175.52 175.36 1n4p h ILE 351 N 0.19 0.02 -0.33 6.82 2.10 -1.90 -0.25 117.51 124.16 1n4p h ILE 351 Ca 0.39 -0.17 0.00 0.00 1.08 0.00 0.00 64.86 66.16 1n4p h ILE 351 Cb 1.24 1.16 0.00 0.00 -1.09 0.00 0.00 36.82 38.14 1n4p h ILE 351 CO -0.08 0.00 0.00 0.54 -1.08 0.00 0.00 178.15 177.54 1n4p n ARG 352 N -3.10 2.97 -0.29 2.19 1.74 0.02 -4.77 116.66 115.41 1n4p n ARG 352 Ca -0.02 -2.47 0.08 0.00 -0.77 0.00 0.00 57.85 54.67 1n4p n ARG 352 Cb 0.15 -1.57 0.19 0.00 -1.02 0.00 0.00 32.46 30.20 1n4p n ARG 352 CO 0.00 0.00 0.00 1.57 -1.52 0.00 0.00 177.63 177.68 1n4p h LYS 353 N 2.06 0.06 -0.12 5.56 2.10 -0.94 0.60 116.57 125.90 1n4p h LYS 353 Ca 0.00 -0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.58 1n4p h LYS 353 Cb 1.11 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 32.41 1n4p h LYS 353 CO 0.12 0.04 -0.24 0.93 -2.00 0.00 0.00 179.45 178.30 1n4p h GLU 354 N 0.07 0.20 0.03 0.07 5.08 -1.86 -2.01 114.58 116.16 1n4p h GLU 354 Ca 0.47 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.77 1n4p h GLU 354 Cb 0.87 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.10 1n4p h GLU 354 CO -0.78 0.44 -0.01 -0.92 -1.00 0.00 0.00 179.01 176.74 1n4p h TYR 355 N 0.19 -0.03 -0.71 4.33 3.20 -0.25 -2.05 116.97 121.65 1n4p h TYR 355 Ca 0.03 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 1n4p h TYR 355 Cb 0.54 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.78 1n4p h TYR 355 CO 0.01 0.38 0.42 -1.49 -1.64 0.00 0.00 178.16 175.84 1n4p h TRP 356 N -0.46 0.93 -0.26 -3.82 -0.00 -0.96 0.12 115.95 111.51 1n4p h TRP 356 Ca -0.00 -0.00 -0.09 0.00 -0.00 0.00 0.00 58.89 58.79 1n4p h TRP 356 Cb 0.43 -0.31 -0.01 0.00 -0.00 0.00 0.00 29.16 29.27 1n4p h TRP 356 CO 0.07 0.63 -0.23 0.00 -0.00 0.00 0.00 178.44 178.91 1n4p h ARG 357 N 0.98 0.49 -0.39 0.49 3.08 -1.36 0.79 114.38 118.45 1n4p h ARG 357 Ca 0.25 -0.17 -0.11 0.00 0.07 0.00 0.00 59.98 60.02 1n4p h ARG 357 Cb -0.03 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 1n4p h ARG 357 CO -0.05 0.68 -0.19 -0.92 -1.07 0.00 0.00 179.97 178.43 1n4p h TYR 358 N 0.43 0.84 -0.35 3.04 3.20 -0.42 -0.27 116.97 123.44 1n4p h TYR 358 Ca 0.07 -0.18 -0.10 0.00 3.14 0.00 0.00 58.73 61.66 1n4p h TYR 358 Cb 0.64 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 1n4p h TYR 358 CO 0.02 0.88 -0.17 0.82 -1.64 0.00 0.00 178.16 178.08 1n4p h ILE 359 N 0.67 1.29 0.16 1.81 1.08 -0.13 -2.16 117.51 120.22 1n4p h ILE 359 Ca 0.10 -1.29 0.00 0.00 -0.39 0.00 0.00 64.86 63.29 1n4p h ILE 359 Cb 0.68 1.37 -0.01 0.00 -3.07 0.00 0.00 36.82 35.79 1n4p h ILE 359 CO 0.05 0.42 -0.16 1.23 -0.69 0.00 0.00 178.15 179.01 1n4p h GLY 360 N 0.52 -0.33 1.05 5.37 0.00 -0.55 -0.91 103.07 108.22 1n4p h GLY 360 Ca 0.08 0.18 0.10 0.00 0.00 0.00 0.00 47.33 47.68 1n4p h GLY 360 CO 0.05 -0.16 0.40 3.21 0.00 0.00 0.00 176.54 180.05 1n4p h ARG 361 N -0.34 0.41 -0.42 4.80 3.08 -1.01 -1.69 114.38 119.21 1n4p h ARG 361 Ca 0.00 -0.02 -0.15 0.00 0.07 0.00 0.00 59.98 59.88 1n4p h ARG 361 Cb 0.32 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 1n4p h ARG 361 CO -0.04 0.27 -0.31 0.77 -1.07 0.00 0.00 179.97 179.59 1n4p h SER 362 N 0.43 1.00 -0.36 7.04 0.02 -0.65 -2.34 113.55 118.68 1n4p h SER 362 Ca 0.28 -0.42 -0.04 0.00 -0.84 0.00 0.00 61.79 60.76 1n4p h SER 362 Cb 0.52 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 1n4p h SER 362 CO -0.08 1.22 0.05 -0.07 -1.14 0.00 0.00 176.83 176.81 1n4p h LEU 363 N 0.80 0.58 0.52 5.07 3.38 -0.34 -2.87 115.31 122.45 1n4p h LEU 363 Ca 0.08 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1n4p h LEU 363 Cb 0.90 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 1n4p h LEU 363 CO 0.08 0.70 -0.46 1.56 0.09 0.00 0.00 178.44 180.41 1n4p h GLN 364 N 0.44 -0.94 0.00 1.13 1.08 -1.28 -1.13 115.11 114.40 1n4p h GLN 364 Ca 0.11 0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.37 1n4p h GLN 364 Cb 0.37 0.21 0.00 0.00 -0.05 0.00 0.00 27.48 28.02 1n4p h GLN 364 CO 0.01 -0.63 0.00 -1.13 -0.95 0.00 0.00 178.83 176.13 1n4p n SER 365 N -5.55 0.00 -0.00 1.46 3.41 -0.89 -2.25 113.62 109.80 1n4p n SER 365 Ca -0.12 -0.45 0.03 0.00 -0.26 0.00 0.00 58.87 58.07 1n4p n SER 365 Cb 0.45 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.35 1n4p n SER 365 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1n4p n LYS 366 N -0.89 1.31 -3.19 4.33 4.01 -0.81 -4.84 118.16 118.08 1n4p n LYS 366 Ca 0.07 -0.04 -0.22 0.00 -0.51 0.00 0.00 58.31 57.61 1n4p n LYS 366 Cb 0.03 -1.05 -0.05 0.00 -0.51 0.00 0.00 35.03 33.45 1n4p n LYS 366 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 1n4p n HIS 367 N -1.57 0.20 -1.53 2.13 8.25 -0.49 -5.08 115.22 117.12 1n4p n HIS 367 Ca -0.01 -3.72 0.00 0.00 -0.26 0.00 0.00 57.72 53.74 1n4p n HIS 367 Cb 0.14 -0.39 0.00 0.00 1.12 0.00 0.00 29.99 30.85 1n4p n HIS 367 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41