#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3niv s ILE 2 N 0.00 2.26 -0.28 1.96 1.09 -0.32 -1.14 121.20 124.78 3niv s ILE 2 Ca 0.00 -1.03 0.00 0.00 -1.10 0.00 0.00 60.65 58.52 3niv s ILE 2 Cb 0.00 -1.80 0.05 0.00 -1.06 0.00 0.00 42.46 39.65 3niv s ILE 2 CO 0.00 0.58 -0.06 -0.22 -0.10 0.00 0.00 174.94 175.15 3niv s LEU 3 N -0.62 3.60 -0.17 2.97 2.96 -0.04 0.77 118.68 128.16 3niv s LEU 3 Ca 0.10 -1.27 -0.29 0.00 -0.22 0.00 0.00 54.13 52.45 3niv s LEU 3 Cb -0.10 -1.64 -0.01 0.00 0.50 0.00 0.00 46.19 44.94 3niv s LEU 3 CO -0.01 -0.21 1.14 -0.31 -1.32 0.00 0.00 176.35 175.64 3niv s TYR 4 N 1.20 3.16 0.02 5.38 1.51 -0.31 -1.24 117.35 127.06 3niv s TYR 4 Ca -0.06 1.28 0.01 0.00 -1.01 0.00 0.00 57.07 57.28 3niv s TYR 4 Cb -0.19 -3.37 -0.01 0.00 -0.11 0.00 0.00 41.96 38.27 3niv s TYR 4 CO -0.03 -1.03 -0.03 0.34 -1.11 0.00 0.00 175.55 173.69 3niv s ASP 5 N 1.52 0.32 -0.08 2.29 2.15 0.15 -2.67 116.67 120.36 3niv s ASP 5 Ca 0.50 -0.32 0.03 0.00 0.43 0.00 0.00 52.55 53.20 3niv s ASP 5 Cb -0.19 0.04 0.01 0.00 -0.30 0.00 0.00 42.92 42.47 3niv s ASP 5 CO 0.13 -0.15 -0.18 -0.47 -0.17 0.00 0.00 175.17 174.33 3niv s TYR 6 N -0.87 1.94 0.44 -5.34 5.04 -1.26 -1.86 117.35 115.44 3niv s TYR 6 Ca -0.08 -0.74 0.13 0.00 -2.44 0.00 0.00 57.07 53.94 3niv s TYR 6 Cb -0.06 -1.34 0.97 0.00 0.35 0.00 0.00 41.96 41.87 3niv s TYR 6 CO -0.00 -0.32 1.99 0.27 -1.34 0.00 0.00 175.55 176.15 3niv h PHE 7 N 6.77 0.07 -0.40 4.97 -5.15 -1.93 -2.73 116.94 118.54 3niv h PHE 7 Ca -0.26 -0.01 0.00 0.00 -0.20 0.00 0.00 57.97 57.50 3niv h PHE 7 Cb 1.21 -0.02 0.00 0.00 0.22 0.00 0.00 35.95 37.36 3niv h PHE 7 CO 0.47 0.21 0.00 -2.13 -2.00 0.00 0.00 178.31 174.87 3niv n ARG 8 N -4.33 2.53 -2.64 6.09 0.63 -1.26 -3.93 116.66 113.74 3niv n ARG 8 Ca -0.02 -2.11 -0.43 0.00 -0.92 0.00 0.00 57.85 54.37 3niv n ARG 8 Cb 0.23 -1.36 -0.02 0.00 0.45 0.00 0.00 32.46 31.76 3niv n ARG 8 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 3niv s SER 9 N -1.05 6.98 0.47 6.15 0.15 -1.03 -4.93 113.70 120.44 3niv s SER 9 Ca 0.30 1.16 0.22 0.00 0.70 0.00 0.00 55.95 58.32 3niv s SER 9 Cb 0.16 -2.54 1.16 0.00 -1.71 0.00 0.00 66.02 63.09 3niv s SER 9 CO 0.21 -0.82 1.97 0.71 1.20 0.00 0.00 173.24 176.52 3niv h THR 10 N 5.65 0.80 -0.29 6.45 1.35 -1.90 -0.19 112.91 124.77 3niv h THR 10 Ca -0.20 -0.79 -0.04 0.00 -0.55 0.00 0.00 66.41 64.83 3niv h THR 10 Cb 1.06 1.47 -0.01 0.00 -1.73 0.00 0.00 68.15 68.94 3niv h THR 10 CO 1.02 0.20 0.04 0.00 -0.25 0.00 0.00 175.52 176.52 3niv h ALA 11 N 1.80 0.39 -0.29 6.62 0.00 -1.95 -1.08 119.26 124.75 3niv h ALA 11 Ca -0.00 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 3niv h ALA 11 Cb 0.46 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3niv h ALA 11 CO 0.03 0.09 -0.17 0.00 0.00 0.00 0.00 179.25 179.20 3niv h TYR 13 N 0.47 0.17 -0.67 0.00 5.03 -0.80 0.25 116.97 121.42 3niv h TYR 13 Ca 0.08 0.01 0.14 0.00 2.58 0.00 0.00 58.73 61.54 3niv h TYR 13 Cb 0.57 -0.04 -0.10 0.00 1.55 0.00 0.00 36.73 38.71 3niv h TYR 13 CO 0.02 0.09 0.14 0.00 -1.32 0.00 0.00 178.16 177.08 3niv h ARG 14 N 0.21 0.24 -0.20 1.82 3.08 -0.96 -1.62 114.38 116.95 3niv h ARG 14 Ca 0.10 -0.01 -0.09 0.00 0.07 0.00 0.00 59.98 60.05 3niv h ARG 14 Cb 0.06 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 3niv h ARG 14 CO -0.09 0.16 -0.23 0.28 -1.07 0.00 0.00 179.97 179.02 3niv h VAL 15 N 0.25 1.33 -0.68 2.04 2.07 -0.97 -2.76 116.25 117.52 3niv h VAL 15 Ca 0.36 -1.41 0.12 0.00 0.82 0.00 0.00 66.70 66.59 3niv h VAL 15 Cb 0.59 1.79 -0.09 0.00 -1.52 0.00 0.00 31.29 32.06 3niv h VAL 15 CO -0.47 0.43 0.23 0.03 0.02 0.00 0.00 177.57 177.81 3niv h ARG 16 N 0.17 0.36 0.23 1.57 3.08 -0.17 -1.70 114.38 117.93 3niv h ARG 16 Ca 0.03 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.06 3niv h ARG 16 Cb 0.79 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.73 3niv h ARG 16 CO 0.06 0.24 -0.26 0.82 -1.07 0.00 0.00 179.97 179.75 3niv h ILE 17 N 0.38 0.43 -0.67 2.04 2.04 -1.21 -2.08 117.51 118.44 3niv h ILE 17 Ca 0.36 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.23 3niv h ILE 17 Cb 0.53 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 3niv h ILE 17 CO -0.39 0.00 0.44 0.00 0.00 0.00 0.00 178.15 178.20 3niv h ALA 18 N 0.11 1.52 -0.65 1.87 0.00 -1.13 0.19 119.26 121.17 3niv h ALA 18 Ca 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3niv h ALA 18 Cb 0.51 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3niv h ALA 18 CO -0.08 0.45 0.32 -0.07 0.00 0.00 0.00 179.25 179.87 3niv h LEU 19 N 0.91 0.83 -0.10 0.00 3.38 -1.07 -1.25 115.31 118.00 3niv h LEU 19 Ca 0.25 -0.08 -0.10 0.00 0.09 0.00 0.00 57.88 58.04 3niv h LEU 19 Cb -0.10 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.44 3niv h LEU 19 CO -0.05 0.69 -0.32 0.78 0.09 0.00 0.00 178.44 179.63 3niv h ASN 20 N 0.92 0.45 -0.29 -0.43 -0.26 -0.06 0.62 115.58 116.52 3niv h ASN 20 Ca 0.23 -0.61 -0.00 0.00 -0.56 0.00 0.00 56.30 55.35 3niv h ASN 20 Cb 0.08 -0.13 -0.02 0.00 -1.06 0.00 0.00 38.32 37.19 3niv h ASN 20 CO -0.03 0.98 0.17 -0.07 -1.06 0.00 0.00 177.43 177.43 3niv h LEU 21 N -0.06 0.37 -1.55 1.61 3.38 -0.60 -0.41 115.31 118.05 3niv h LEU 21 Ca -0.01 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3niv h LEU 21 Cb 0.95 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.60 3niv h LEU 21 CO 0.07 0.30 0.00 0.29 0.09 0.00 0.00 178.44 179.19 3niv n LYS 22 N -4.46 2.03 -4.27 1.13 5.02 -0.49 -4.94 118.16 112.19 3niv n LYS 22 Ca 0.02 -1.53 -0.37 0.00 -2.02 0.00 0.00 58.31 54.40 3niv n LYS 22 Cb 0.09 -1.45 -0.04 0.00 -0.02 0.00 0.00 35.03 33.61 3niv n LYS 22 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3niv n LYS 23 N 0.79 -2.68 -2.95 1.97 5.02 -0.16 -4.93 118.16 115.21 3niv n LYS 23 Ca 0.17 0.33 -0.41 0.00 -2.02 0.00 0.00 58.31 56.38 3niv n LYS 23 Cb 0.46 -4.96 -0.04 0.00 -0.02 0.00 0.00 35.03 30.47 3niv n LYS 23 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3niv s ILE 24 N -3.35 4.95 0.33 -0.18 1.01 0.10 -5.01 121.20 119.04 3niv s ILE 24 Ca 0.70 1.56 -0.26 0.00 0.00 0.00 0.00 60.65 62.64 3niv s ILE 24 Cb -0.39 -4.10 -0.10 0.00 0.01 0.00 0.00 42.46 37.89 3niv s ILE 24 CO 0.95 0.13 0.98 0.00 0.00 0.00 0.00 174.94 176.99 3niv s ALA 25 N 1.55 3.22 -0.01 9.38 0.00 -1.26 -4.76 121.76 129.87 3niv s ALA 25 Ca 0.38 0.59 -0.28 0.00 0.00 0.00 0.00 51.96 52.65 3niv s ALA 25 Cb -0.17 -3.21 0.10 0.00 0.00 0.00 0.00 23.12 19.83 3niv s ALA 25 CO 0.15 0.08 0.81 1.52 0.00 0.00 0.00 175.76 178.33 3niv s TYR 26 N -1.55 -0.45 -0.09 0.00 -0.85 -1.26 -4.91 117.35 108.24 3niv s TYR 26 Ca 0.50 0.50 -0.19 0.00 -0.52 0.00 0.00 57.07 57.37 3niv s TYR 26 Cb -0.21 0.50 -0.04 0.00 0.38 0.00 0.00 41.96 42.59 3niv s TYR 26 CO 0.27 -0.57 0.51 -1.21 -1.52 0.00 0.00 175.55 173.02 3niv s GLU 27 N -2.44 4.32 -0.15 -3.49 2.02 -0.29 -4.99 118.70 113.68 3niv s GLU 27 Ca -0.00 0.52 -0.03 0.00 0.02 0.00 0.00 54.97 55.48 3niv s GLU 27 Cb -0.01 -3.41 -0.03 0.00 0.10 0.00 0.00 34.13 30.79 3niv s GLU 27 CO -0.04 0.21 -0.05 0.21 0.02 0.00 0.00 175.26 175.61 3niv s LYS 28 N 0.43 3.59 -0.16 1.61 2.20 -1.26 -0.86 119.74 125.29 3niv s LYS 28 Ca 0.27 -0.54 0.00 0.00 -0.36 0.00 0.00 55.97 55.34 3niv s LYS 28 Cb -0.16 -2.86 0.02 0.00 -1.51 0.00 0.00 37.83 33.33 3niv s LYS 28 CO 0.12 0.26 -0.15 0.42 -0.36 0.00 0.00 175.35 175.64 3niv s ILE 29 N 0.30 1.67 -0.71 5.43 1.01 -0.37 -4.96 121.20 123.57 3niv s ILE 29 Ca -0.05 -0.70 -0.24 0.00 0.00 0.00 0.00 60.65 59.66 3niv s ILE 29 Cb -0.14 -1.56 0.06 0.00 0.01 0.00 0.00 42.46 40.83 3niv s ILE 29 CO 0.03 0.47 1.08 -1.61 0.00 0.00 0.00 174.94 174.92 3niv s GLU 30 N 1.45 3.17 0.00 2.79 0.41 -1.26 -0.68 118.70 124.58 3niv s GLU 30 Ca 0.05 -0.69 0.00 0.00 -0.41 0.00 0.00 54.97 53.92 3niv s GLU 30 Cb -0.13 -4.27 0.00 0.00 -1.78 0.00 0.00 34.13 27.95 3niv s GLU 30 CO -0.11 -1.93 0.00 1.33 -0.49 0.00 0.00 175.26 174.06 3niv n VAL 31 N 6.08 0.00 0.00 2.63 0.24 -0.78 -4.96 118.33 121.54 3niv n VAL 31 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3niv n VAL 31 Cb 0.47 -0.71 0.00 0.00 -1.47 0.00 0.00 33.84 32.13 3niv n VAL 31 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 3niv n VAL 54 N 0.00 0.00 -2.75 3.34 0.24 -1.26 -4.87 118.33 113.02 3niv n VAL 54 Ca 0.00 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 61.97 3niv n VAL 54 Cb 0.00 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.31 3niv n VAL 54 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 3niv s PRO 55 N -4.42 4.17 -0.03 7.34 0.04 -1.26 -4.91 135.00 135.93 3niv s PRO 55 Ca 0.00 1.11 0.02 0.00 0.04 0.00 0.00 61.00 62.18 3niv s PRO 55 Cb 0.00 -2.17 0.01 0.00 0.04 0.00 0.00 34.50 32.38 3niv s PRO 55 CO 0.00 -0.08 -0.08 -1.12 0.04 0.00 0.00 177.00 175.75 3niv s SER 56 N -2.28 1.19 -0.21 6.66 0.01 -1.09 -4.58 113.70 113.40 3niv s SER 56 Ca 0.62 -0.18 -0.11 0.00 1.31 0.00 0.00 55.95 57.59 3niv s SER 56 Cb -0.10 -0.39 -0.05 0.00 0.21 0.00 0.00 66.02 65.70 3niv s SER 56 CO 0.16 0.04 0.17 -0.22 0.41 0.00 0.00 173.24 173.80 3niv s LEU 57 N 0.36 4.17 -0.44 2.44 2.96 0.30 -1.16 118.68 127.31 3niv s LEU 57 Ca -0.06 0.22 -0.07 0.00 -0.22 0.00 0.00 54.13 54.01 3niv s LEU 57 Cb -0.10 -2.15 0.11 0.00 0.50 0.00 0.00 46.19 44.55 3niv s LEU 57 CO 0.01 0.11 0.28 -0.62 -1.32 0.00 0.00 176.35 174.81 3niv s ASP 58 N 0.70 5.52 -0.49 3.68 -1.08 0.23 -0.06 116.67 125.17 3niv s ASP 58 Ca 0.09 -1.92 -0.17 0.00 -0.52 0.00 0.00 52.55 50.03 3niv s ASP 58 Cb -0.12 -1.94 0.07 0.00 -1.46 0.00 0.00 42.92 39.47 3niv s ASP 58 CO 0.02 -0.62 0.51 -0.63 0.52 0.00 0.00 175.17 174.96 3niv s ILE 59 N 1.28 5.06 -1.18 4.11 1.09 0.32 -1.17 121.20 130.72 3niv s ILE 59 Ca 0.06 -0.82 -0.26 0.00 -1.10 0.00 0.00 60.65 58.53 3niv s ILE 59 Cb -0.25 -4.22 0.01 0.00 -1.06 0.00 0.00 42.46 36.95 3niv s ILE 59 CO -0.02 -0.70 0.73 0.59 -0.10 0.00 0.00 174.94 175.44 3niv n ASN 60 N 5.66 -4.65 0.00 3.58 3.02 -1.26 -0.53 115.26 121.08 3niv n ASN 60 Ca -0.10 -1.14 0.00 0.00 -0.03 0.00 0.00 54.58 53.32 3niv n ASN 60 Cb 0.44 -2.67 0.00 0.00 -0.61 0.00 0.00 39.78 36.94 3niv n ASN 60 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3niv n GLY 61 N -1.87 2.37 3.70 7.41 0.00 -1.26 -4.97 105.19 110.57 3niv n GLY 61 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 3niv n GLY 61 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3niv s GLN 62 N 0.00 4.45 -0.05 1.61 -0.21 0.31 -5.06 119.66 120.71 3niv s GLN 62 Ca 0.00 1.12 0.01 0.00 0.02 0.00 0.00 55.36 56.51 3niv s GLN 62 Cb 0.00 -3.48 -0.03 0.00 1.00 0.00 0.00 33.01 30.50 3niv s GLN 62 CO 0.00 -0.08 -0.05 0.96 -2.12 0.00 0.00 175.29 174.01 3niv s ILE 63 N 1.21 3.87 0.00 1.08 -4.36 -1.26 0.12 121.20 121.86 3niv s ILE 63 Ca 0.43 -0.49 0.04 0.00 -0.26 0.00 0.00 60.65 60.38 3niv s ILE 63 Cb -0.19 -2.62 -0.01 0.00 1.25 0.00 0.00 42.46 40.89 3niv s ILE 63 CO 0.20 0.55 -0.12 -0.22 0.24 0.00 0.00 174.94 175.59 3niv s LEU 64 N -0.99 2.05 0.00 0.37 2.96 0.91 -4.98 118.68 119.00 3niv s LEU 64 Ca 0.14 -0.27 0.00 0.00 -0.22 0.00 0.00 54.13 53.78 3niv s LEU 64 Cb -0.11 -0.61 0.00 0.00 0.50 0.00 0.00 46.19 45.97 3niv s LEU 64 CO 0.03 0.12 0.00 -1.54 -1.32 0.00 0.00 176.35 173.65 3niv n SER 65 N 2.60 0.00 -4.57 3.68 3.41 -1.26 -0.54 113.62 116.94 3niv n SER 65 Ca -0.15 -0.37 -0.35 0.00 -0.26 0.00 0.00 58.87 57.74 3niv n SER 65 Cb 0.56 0.74 -0.11 0.00 -0.26 0.00 0.00 64.21 65.13 3niv n SER 65 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3niv s GLN 66 N -0.74 3.86 0.00 4.33 -1.52 -1.26 -4.68 119.66 119.65 3niv s GLN 66 Ca 0.00 -0.40 0.00 0.00 -1.95 0.00 0.00 55.36 53.01 3niv s GLN 66 Cb 0.00 -3.22 0.00 0.00 -0.22 0.00 0.00 33.01 29.57 3niv s GLN 66 CO 0.00 0.14 0.00 -1.13 -0.25 0.00 0.00 175.29 174.05 3niv n SER 67 N 3.92 0.00 0.00 5.90 3.41 -1.26 0.29 113.62 125.88 3niv n SER 67 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.45 3niv n SER 67 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 3niv n SER 67 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3niv n ALA 69 N 0.36 0.00 -0.03 7.33 0.00 -1.26 -2.09 120.51 124.82 3niv n ALA 69 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 3niv n ALA 69 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 3niv n ALA 69 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3niv h ILE 70 N 0.00 0.87 -0.40 0.00 2.04 -0.54 -0.72 117.51 118.77 3niv h ILE 70 Ca 0.00 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 3niv h ILE 70 Cb 0.00 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 3niv h ILE 70 CO 0.00 0.01 0.21 0.40 0.00 0.00 0.00 178.15 178.76 3niv h ILE 71 N 0.04 1.16 -0.50 -0.67 2.04 -1.66 0.78 117.51 118.69 3niv h ILE 71 Ca 0.08 -0.43 0.09 0.00 1.00 0.00 0.00 64.86 65.59 3niv h ILE 71 Cb 0.10 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 3niv h ILE 71 CO -0.14 0.17 0.34 0.44 0.00 0.00 0.00 178.15 178.96 3niv h ASP 72 N 0.51 0.28 -0.25 1.72 3.32 -1.78 0.16 116.42 120.38 3niv h ASP 72 Ca 0.14 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.11 3niv h ASP 72 Cb 0.08 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 3niv h ASP 72 CO -0.02 0.17 -0.17 0.22 -1.72 0.00 0.00 179.24 177.72 3niv h TYR 73 N 0.32 0.65 -0.95 4.55 3.20 0.13 -1.43 116.97 123.44 3niv h TYR 73 Ca 0.23 -0.18 0.01 0.00 3.14 0.00 0.00 58.73 61.93 3niv h TYR 73 Cb 0.49 -0.14 -0.05 0.00 1.54 0.00 0.00 36.73 38.57 3niv h TYR 73 CO -0.00 0.85 0.62 -0.07 -1.64 0.00 0.00 178.16 177.91 3niv h LEU 74 N 0.27 1.11 -0.98 2.82 3.38 0.68 0.27 115.31 122.86 3niv h LEU 74 Ca 0.05 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 3niv h LEU 74 Cb 0.70 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3niv h LEU 74 CO 0.05 0.82 -0.49 -0.33 0.09 0.00 0.00 178.44 178.57 3niv h GLU 75 N 1.30 0.00 0.09 1.13 4.39 -0.64 0.61 114.58 121.46 3niv h GLU 75 Ca 0.35 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.90 3niv h GLU 75 Cb -0.13 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.53 3niv h GLU 75 CO -0.07 0.49 -0.69 1.49 -1.16 0.00 0.00 179.01 179.07 3niv h GLU 76 N 0.00 0.20 -0.11 2.33 4.81 -0.91 -3.10 114.58 117.79 3niv h GLU 76 Ca -0.00 -0.34 -0.10 0.00 -0.13 0.00 0.00 59.36 58.78 3niv h GLU 76 Cb 0.90 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.40 3niv h GLU 76 CO 0.06 1.16 -0.38 0.82 -0.73 0.00 0.00 179.01 179.95 3niv h ILE 77 N -0.56 1.30 -2.42 2.32 2.04 -0.92 -3.33 117.51 115.94 3niv h ILE 77 Ca -0.13 -1.44 -0.59 0.00 1.00 0.00 0.00 64.86 63.69 3niv h ILE 77 Cb 1.47 1.64 -0.40 0.00 -0.74 0.00 0.00 36.82 38.78 3niv h ILE 77 CO 0.08 0.43 -0.80 1.57 0.00 0.00 0.00 178.15 179.43 3niv n HIS 78 N -4.05 1.51 -0.21 1.37 -0.00 0.21 -4.96 115.22 109.08 3niv n HIS 78 Ca -0.01 -3.85 0.22 0.00 0.46 0.00 0.00 57.72 54.53 3niv n HIS 78 Cb 0.45 -0.33 0.58 0.00 -0.12 0.00 0.00 29.99 30.58 3niv n HIS 78 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3niv h PRO 79 N 4.79 0.26 -5.75 1.57 0.11 -1.66 -3.40 132.00 127.91 3niv h PRO 79 Ca 0.17 -0.02 -0.33 0.00 0.11 0.00 0.00 66.00 65.93 3niv h PRO 79 Cb 0.80 -0.06 -0.05 0.00 0.11 0.00 0.00 31.00 31.79 3niv h PRO 79 CO 0.61 0.17 0.86 -1.21 -0.21 0.00 0.00 178.00 178.21 3niv s GLU 80 N -5.28 2.69 -0.02 1.05 8.01 -1.26 -4.82 118.70 119.07 3niv s GLU 80 Ca -0.07 -0.46 0.02 0.00 0.01 0.00 0.00 54.97 54.47 3niv s GLU 80 Cb 0.22 -5.11 0.00 0.00 -4.31 0.00 0.00 34.13 24.93 3niv s GLU 80 CO 0.78 -3.27 -0.06 -1.25 0.01 0.00 0.00 175.26 171.47 3niv s PRO 82 N 6.71 0.62 0.00 0.39 0.04 -1.26 -4.91 135.00 136.60 3niv s PRO 82 Ca 0.67 -0.19 0.28 0.00 0.04 0.00 0.00 61.00 61.80 3niv s PRO 82 Cb -0.05 -0.62 1.00 0.00 0.04 0.00 0.00 34.50 34.87 3niv s PRO 82 CO -0.01 0.07 1.71 1.28 0.04 0.00 0.00 177.00 180.10 3niv n LEU 83 N 3.28 1.10 -3.88 -3.56 4.77 -1.26 -4.88 117.00 112.57 3niv n LEU 83 Ca -0.17 -0.31 -0.11 0.00 -0.03 0.00 0.00 56.01 55.39 3niv n LEU 83 Cb 0.55 -0.07 -0.10 0.00 -2.33 0.00 0.00 43.42 41.48 3niv n LEU 83 CO 0.25 0.19 -0.17 -0.76 -1.33 0.00 0.00 177.39 175.57 3niv s LEU 84 N -2.26 1.59 1.03 2.23 1.43 -1.26 0.04 118.68 121.47 3niv s LEU 84 Ca 0.32 -0.30 -0.13 0.00 -1.03 0.00 0.00 54.13 52.99 3niv s LEU 84 Cb 0.20 0.69 0.20 0.00 0.03 0.00 0.00 46.19 47.32 3niv s LEU 84 CO 0.43 -0.43 1.09 -2.84 0.23 0.00 0.00 176.35 174.83 3niv s PRO 85 N -1.81 0.19 0.03 1.29 0.02 -1.26 -5.00 135.00 128.46 3niv s PRO 85 Ca -0.11 0.52 -0.06 0.00 0.02 0.00 0.00 61.00 61.37 3niv s PRO 85 Cb -0.05 -1.71 -0.29 0.00 0.02 0.00 0.00 34.50 32.46 3niv s PRO 85 CO -0.00 -2.89 0.95 0.87 -0.33 0.00 0.00 177.00 175.59 3niv h LYS 86 N -2.01 0.31 -6.35 5.54 1.57 -2.01 -3.41 116.57 110.21 3niv h LYS 86 Ca -0.56 -0.53 -0.63 0.00 -1.87 0.00 0.00 60.65 57.07 3niv h LYS 86 Cb 1.33 0.20 0.04 0.00 0.08 0.00 0.00 32.23 33.88 3niv h LYS 86 CO 0.57 1.21 0.83 -3.47 -0.57 0.00 0.00 179.45 178.02 3niv n ASP 87 N -3.52 2.84 -0.30 0.86 2.03 -1.26 -4.85 116.55 112.34 3niv n ASP 87 Ca -0.15 1.06 -0.02 0.00 0.52 0.00 0.00 54.79 56.20 3niv n ASP 87 Cb 1.05 -1.33 0.15 0.00 -0.72 0.00 0.00 41.12 40.27 3niv n ASP 87 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3niv h PRO 88 N 6.77 1.18 -0.16 -0.67 0.11 -2.04 0.33 132.00 137.53 3niv h PRO 88 Ca -0.47 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 65.55 3niv h PRO 88 Cb 1.28 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3niv h PRO 88 CO 0.89 0.81 0.00 0.34 -0.21 0.00 0.00 178.00 179.84 3niv n PHE 89 N -4.37 0.00 0.00 0.65 7.35 -1.26 -0.63 117.46 119.19 3niv n PHE 89 Ca 0.10 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.79 3niv n PHE 89 Cb 0.05 -0.02 0.00 0.00 0.35 0.00 0.00 39.48 39.87 3niv n PHE 89 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 3niv n LYS 91 N -0.01 0.00 -0.21 -4.13 4.81 0.11 0.09 118.16 118.81 3niv n LYS 91 Ca 0.00 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.36 3niv n LYS 91 Cb 0.04 0.00 0.03 0.00 0.02 0.00 0.00 35.03 35.12 3niv n LYS 91 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3niv h ALA 92 N 0.00 0.78 -0.98 3.14 0.00 -1.10 -1.48 119.26 119.62 3niv h ALA 92 Ca 0.00 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.74 3niv h ALA 92 Cb 0.00 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.51 3niv h ALA 92 CO 0.00 0.44 0.65 1.15 0.00 0.00 0.00 179.25 181.49 3niv h THR 93 N 0.84 1.20 0.00 0.00 2.02 -0.59 -0.34 112.91 116.04 3niv h THR 93 Ca 0.19 -0.44 -0.20 0.00 0.77 0.00 0.00 66.41 66.73 3niv h THR 93 Cb 0.28 -0.19 -0.03 0.00 -1.74 0.00 0.00 68.15 66.47 3niv h THR 93 CO -0.01 0.23 -0.97 -0.07 0.37 0.00 0.00 175.52 175.07 3niv h LEU 94 N 1.27 0.00 -0.57 2.58 3.38 -1.79 -3.01 115.31 117.18 3niv h LEU 94 Ca 0.38 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.40 3niv h LEU 94 Cb -0.06 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 3niv h LEU 94 CO -0.11 0.96 0.29 0.50 0.09 0.00 0.00 178.44 180.17 3niv h LYS 95 N 0.00 0.53 -1.62 1.13 1.63 -0.60 -1.81 116.57 115.83 3niv h LYS 95 Ca -0.02 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 3niv h LYS 95 Cb 1.74 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 33.25 3niv h LYS 95 CO 0.12 0.35 0.00 -1.13 -3.45 0.00 0.00 179.45 175.35 3niv n SER 96 N -4.87 1.66 0.00 4.20 3.41 -0.20 -1.19 113.62 116.63 3niv n SER 96 Ca 0.06 -1.10 0.00 0.00 -0.26 0.00 0.00 58.87 57.57 3niv n SER 96 Cb 0.16 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 3niv n SER 96 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3niv n ALA 98 N 0.97 0.00 0.07 7.33 0.00 -0.68 -0.84 120.51 127.35 3niv n ALA 98 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 3niv n ALA 98 Cb 0.24 0.00 0.22 0.00 0.00 0.00 0.00 19.45 19.91 3niv n ALA 98 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3niv h LEU 99 N 0.00 0.34 -0.68 0.00 3.38 -1.42 0.01 115.31 116.94 3niv h LEU 99 Ca 0.00 -0.13 0.14 0.00 0.09 0.00 0.00 57.88 57.99 3niv h LEU 99 Cb 0.00 -0.09 -0.11 0.00 0.09 0.00 0.00 40.66 40.55 3niv h LEU 99 CO 0.00 0.66 0.10 0.40 0.09 0.00 0.00 178.44 179.70 3niv h ILE 100 N 0.28 0.51 0.10 1.22 2.04 -1.27 0.49 117.51 120.88 3niv h ILE 100 Ca 0.03 -0.07 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 3niv h ILE 100 Cb 0.74 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 37.11 3niv h ILE 100 CO 0.06 0.04 -0.05 0.58 0.00 0.00 0.00 178.15 178.78 3niv h VAL 101 N 0.21 1.05 0.00 1.67 2.07 -1.74 -0.87 116.25 118.64 3niv h VAL 101 Ca 0.37 -1.36 -0.03 0.00 0.82 0.00 0.00 66.70 66.50 3niv h VAL 101 Cb 0.61 1.81 -0.00 0.00 -1.52 0.00 0.00 31.29 32.19 3niv h VAL 101 CO -0.51 0.29 -0.14 0.00 0.02 0.00 0.00 177.57 177.23 3niv h ALA 102 N -0.18 1.10 0.00 1.67 0.00 -0.72 -1.60 119.26 119.53 3niv h ALA 102 Ca -0.01 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.63 3niv h ALA 102 Cb 0.58 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3niv h ALA 102 CO 0.02 0.18 -1.51 0.00 0.00 0.00 0.00 179.25 177.94 3niv n ASP 104 N -2.95 3.87 0.00 0.00 8.00 -0.33 -4.54 116.55 120.60 3niv n ASP 104 Ca -0.16 -2.20 0.00 0.00 0.71 0.00 0.00 54.79 53.13 3niv n ASP 104 Cb 0.66 -0.49 0.00 0.00 -0.02 0.00 0.00 41.12 41.27 3niv n ASP 104 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 3niv n HIS 106 N 1.18 0.00 -0.28 1.24 -0.00 -0.60 -4.79 115.22 111.97 3niv n HIS 106 Ca 0.22 0.00 -0.04 0.00 -0.00 0.00 0.00 57.72 57.90 3niv n HIS 106 Cb 0.68 0.00 0.11 0.00 -0.00 0.00 0.00 29.99 30.78 3niv n HIS 106 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3niv h PRO 107 N 0.00 1.16 0.00 1.57 0.11 -1.80 -2.09 132.00 130.95 3niv h PRO 107 Ca 0.00 -0.16 -0.02 0.00 0.11 0.00 0.00 66.00 65.93 3niv h PRO 107 Cb 0.00 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 30.90 3niv h PRO 107 CO 0.00 0.89 -0.09 -0.07 -0.21 0.00 0.00 178.00 178.51 3niv h LEU 108 N 1.15 0.00 -2.17 2.35 -0.00 -1.89 -2.78 115.31 111.97 3niv h LEU 108 Ca 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.16 3niv h LEU 108 Cb 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.77 3niv h LEU 108 CO -0.04 0.09 0.00 0.59 -0.00 0.00 0.00 178.44 179.09 3niv n ASN 109 N -3.43 2.47 -4.64 -0.43 3.02 -1.02 -4.72 115.26 106.50 3niv n ASN 109 Ca -0.01 -1.74 -0.42 0.00 -0.03 0.00 0.00 54.58 52.37 3niv n ASN 109 Cb 0.25 -0.12 0.00 0.00 -0.61 0.00 0.00 39.78 39.30 3niv n ASN 109 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3niv n ASN 110 N 0.61 1.84 -0.31 6.41 5.15 -0.81 -4.78 115.26 123.35 3niv n ASN 110 Ca 0.09 1.11 0.08 0.00 -0.60 0.00 0.00 54.58 55.27 3niv n ASN 110 Cb 0.36 -1.40 0.19 0.00 -0.53 0.00 0.00 39.78 38.40 3niv n ASN 110 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 3niv h LEU 111 N 1.95 -0.60 -1.77 1.20 5.85 -1.92 -0.32 115.31 119.71 3niv h LEU 111 Ca -0.44 0.26 0.03 0.00 0.84 0.00 0.00 57.88 58.56 3niv h LEU 111 Cb 1.32 0.48 -0.02 0.00 0.37 0.00 0.00 40.66 42.81 3niv h LEU 111 CO 0.59 -0.29 0.21 0.08 -0.34 0.00 0.00 178.44 178.70 3niv h ARG 112 N 0.03 0.30 -0.01 1.25 0.11 -1.95 0.55 114.38 114.65 3niv h ARG 112 Ca 0.48 -0.02 -0.02 0.00 0.10 0.00 0.00 59.98 60.53 3niv h ARG 112 Cb 0.87 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 31.88 3niv h ARG 112 CO -0.86 0.20 -0.07 0.28 0.10 0.00 0.00 179.97 179.62 3niv h VAL 113 N 0.31 1.52 -0.51 0.08 2.07 -1.40 -2.37 116.25 115.94 3niv h VAL 113 Ca 0.13 -1.61 0.07 0.00 0.82 0.00 0.00 66.70 66.10 3niv h VAL 113 Cb 0.13 2.56 -0.06 0.00 -1.52 0.00 0.00 31.29 32.41 3niv h VAL 113 CO -0.03 0.43 0.19 -0.07 0.02 0.00 0.00 177.57 178.11 3niv h LEU 114 N -0.57 0.20 -0.63 2.57 3.38 -0.72 -0.70 115.31 118.84 3niv h LEU 114 Ca -0.00 0.06 0.09 0.00 0.09 0.00 0.00 57.88 58.12 3niv h LEU 114 Cb 0.74 0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.45 3niv h LEU 114 CO 0.01 0.14 0.27 0.78 0.09 0.00 0.00 178.44 179.73 3niv h ASN 115 N 0.37 0.30 -0.99 -0.43 2.35 -0.97 -1.79 115.58 114.42 3niv h ASN 115 Ca 0.24 0.07 0.06 0.00 -0.55 0.00 0.00 56.30 56.12 3niv h ASN 115 Cb 0.26 0.03 -0.06 0.00 0.05 0.00 0.00 38.32 38.59 3niv h ASN 115 CO -0.24 0.18 0.65 -0.09 -1.65 0.00 0.00 177.43 176.27 3niv h ARG 116 N 0.47 1.15 -0.76 0.81 9.65 -0.63 0.19 114.38 125.27 3niv h ARG 116 Ca 0.32 -0.07 -0.03 0.00 -1.10 0.00 0.00 59.98 59.10 3niv h ARG 116 Cb 0.37 -0.26 -0.03 0.00 -1.39 0.00 0.00 29.97 28.65 3niv h ARG 116 CO -0.29 0.76 0.36 -0.07 2.80 0.00 0.00 179.97 183.53 3niv h LEU 117 N 1.19 1.00 -0.43 3.80 3.38 -0.35 0.35 115.31 124.25 3niv h LEU 117 Ca 0.42 -0.14 -0.17 0.00 0.09 0.00 0.00 57.88 58.08 3niv h LEU 117 Cb 0.13 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3niv h LEU 117 CO -0.16 0.86 -0.78 0.11 0.09 0.00 0.00 178.44 178.56 3niv h LYS 118 N 1.07 0.14 0.16 1.13 1.57 -0.86 0.51 116.57 120.29 3niv h LYS 118 Ca 0.26 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 3niv h LYS 118 Cb 0.13 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.48 3niv h LYS 118 CO -0.03 0.85 -0.08 1.49 -0.57 0.00 0.00 179.45 181.11 3niv h GLU 119 N 0.09 -0.20 0.05 3.15 4.81 -0.33 -1.78 114.58 120.36 3niv h GLU 119 Ca -0.02 0.01 -0.24 0.00 -0.13 0.00 0.00 59.36 58.98 3niv h GLU 119 Cb 1.37 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.79 3niv h GLU 119 CO 0.11 0.23 -1.04 1.96 -0.73 0.00 0.00 179.01 179.54 3niv h GLN 120 N -0.87 0.29 -0.03 1.92 4.20 -0.40 -3.34 115.11 116.87 3niv h GLN 120 Ca -0.02 -0.38 0.00 0.00 0.06 0.00 0.00 58.65 58.31 3niv h GLN 120 Cb 0.52 0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.43 3niv h GLN 120 CO 0.04 1.11 0.00 1.19 -0.67 0.00 0.00 178.83 180.49 3niv n PHE 121 N -3.63 0.05 -3.95 2.96 3.72 0.14 -4.98 117.46 111.77 3niv n PHE 121 Ca -0.06 -0.49 -0.26 0.00 -0.05 0.00 0.00 57.45 56.59 3niv n PHE 121 Cb 0.90 -0.05 -0.07 0.00 -0.94 0.00 0.00 39.48 39.33 3niv n PHE 121 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3niv n ASN 122 N -0.38 0.28 -4.76 4.37 5.15 -0.67 -4.83 115.26 114.42 3niv n ASN 122 Ca 0.01 -1.02 -0.35 0.00 -0.60 0.00 0.00 54.58 52.63 3niv n ASN 122 Cb 0.26 -1.26 0.04 0.00 -0.53 0.00 0.00 39.78 38.29 3niv n ASN 122 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3niv s ALA 123 N -4.07 2.47 0.47 5.20 0.00 -0.99 -4.93 121.76 119.92 3niv s ALA 123 Ca 0.05 0.81 0.08 0.00 0.00 0.00 0.00 51.96 52.90 3niv s ALA 123 Cb -0.03 -3.40 0.03 0.00 0.00 0.00 0.00 23.12 19.72 3niv s ALA 123 CO 0.79 -1.25 0.56 0.54 0.00 0.00 0.00 175.76 176.40 3niv s ASN 124 N -2.00 5.25 0.17 0.00 2.20 -1.26 -4.64 114.94 114.66 3niv s ASN 124 Ca 0.73 -0.70 -0.24 0.00 -0.94 0.00 0.00 52.86 51.70 3niv s ASN 124 Cb -0.26 -0.27 0.06 0.00 -2.00 0.00 0.00 41.25 38.78 3niv s ASN 124 CO 0.36 -0.92 1.57 -0.08 -2.94 0.00 0.00 177.10 175.10 3niv h GLU 125 N 0.63 -0.21 0.00 3.55 4.81 -1.99 0.57 114.58 121.94 3niv h GLU 125 Ca -0.37 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 58.85 3niv h GLU 125 Cb 1.28 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.71 3niv h GLU 125 CO 0.48 -0.14 -0.10 1.49 -0.73 0.00 0.00 179.01 180.02 3niv h GLU 126 N -0.22 0.00 0.14 1.92 4.81 -1.99 -1.27 114.58 117.97 3niv h GLU 126 Ca 0.19 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 59.15 3niv h GLU 126 Cb 0.56 0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.97 3niv h GLU 126 CO -0.67 0.10 -1.14 1.96 -0.73 0.00 0.00 179.01 178.53 3niv h GLN 127 N 0.00 0.52 -0.73 1.92 4.20 -1.34 -2.56 115.11 117.11 3niv h GLN 127 Ca -0.00 -0.75 0.04 0.00 0.06 0.00 0.00 58.65 58.00 3niv h GLN 127 Cb 0.31 0.26 -0.05 0.00 0.30 0.00 0.00 27.48 28.30 3niv h GLN 127 CO 0.01 1.34 0.45 0.28 -0.67 0.00 0.00 178.83 180.24 3niv h VAL 128 N 0.06 1.07 -0.67 -0.54 2.07 -0.40 -2.10 116.25 115.74 3niv h VAL 128 Ca -0.18 -0.30 -0.05 0.00 0.82 0.00 0.00 66.70 66.99 3niv h VAL 128 Cb 1.85 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 3niv h VAL 128 CO 0.22 0.16 0.24 -0.07 0.02 0.00 0.00 177.57 178.13 3niv h LEU 129 N 0.86 0.95 -0.73 2.57 -0.00 -1.29 -0.05 115.31 117.62 3niv h LEU 129 Ca 0.30 -0.19 -0.00 0.00 -0.00 0.00 0.00 57.88 57.99 3niv h LEU 129 Cb 0.07 -0.25 -0.04 0.00 -0.00 0.00 0.00 40.66 40.45 3niv h LEU 129 CO -0.13 0.89 0.45 -0.33 -0.00 0.00 0.00 178.44 179.32 3niv h GLU 130 N 0.97 0.99 0.69 1.13 5.08 -1.14 -0.28 114.58 122.01 3niv h GLU 130 Ca 0.22 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.46 3niv h GLU 130 Cb 0.26 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3niv h GLU 130 CO -0.01 0.69 -0.35 2.35 -1.00 0.00 0.00 179.01 180.69 3niv h TRP 131 N 1.00 -0.91 -0.81 4.33 2.91 -1.08 -1.67 115.95 119.71 3niv h TRP 131 Ca 0.26 -0.02 0.19 0.00 1.13 0.00 0.00 58.89 60.45 3niv h TRP 131 Cb -0.05 0.31 -0.12 0.00 -0.51 0.00 0.00 29.16 28.79 3niv h TRP 131 CO -0.01 -0.55 0.23 -0.92 -1.03 0.00 0.00 178.44 176.15 3niv h TYR 132 N -0.95 0.36 -0.07 2.65 5.03 -0.85 -0.83 116.97 122.32 3niv h TYR 132 Ca -0.09 0.04 -0.15 0.00 2.58 0.00 0.00 58.73 61.11 3niv h TYR 132 Cb 0.73 -0.03 -0.01 0.00 1.55 0.00 0.00 36.73 38.97 3niv h TYR 132 CO 0.04 -0.11 -0.63 0.45 -1.32 0.00 0.00 178.16 176.59 3niv h HIS 133 N 0.28 0.33 -0.54 -3.82 3.86 -1.02 -2.58 115.15 111.66 3niv h HIS 133 Ca 0.48 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 59.56 3niv h HIS 133 Cb 0.87 -0.06 -0.03 0.00 1.06 0.00 0.00 27.41 29.25 3niv h HIS 133 CO -0.24 0.81 0.34 1.25 0.86 0.00 0.00 177.93 180.95 3niv h HIS 134 N 0.19 0.69 -0.10 2.45 -0.00 -0.16 0.90 115.15 119.12 3niv h HIS 134 Ca -0.01 0.01 -0.16 0.00 -0.00 0.00 0.00 60.37 60.21 3niv h HIS 134 Cb 1.15 -0.23 -0.01 0.00 -0.00 0.00 0.00 27.41 28.32 3niv h HIS 134 CO 0.02 0.46 -0.62 -1.49 -0.00 0.00 0.00 177.93 176.31 3niv h TRP 135 N 0.72 0.47 0.11 5.26 -0.00 -1.47 -0.28 115.95 120.76 3niv h TRP 135 Ca 0.19 -0.18 -0.01 0.00 -0.00 0.00 0.00 58.89 58.90 3niv h TRP 135 Cb -0.04 -0.08 0.00 0.00 -0.00 0.00 0.00 29.16 29.04 3niv h TRP 135 CO -0.03 0.88 -0.05 -0.07 -0.00 0.00 0.00 178.44 179.17 3niv h LEU 136 N 0.27 -0.12 -0.21 -4.49 3.38 -1.16 -1.41 115.31 111.56 3niv h LEU 136 Ca -0.01 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 3niv h LEU 136 Cb 1.15 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 3niv h LEU 136 CO 0.10 -0.07 0.13 0.50 0.09 0.00 0.00 178.44 179.20 3niv h LYS 137 N -0.17 0.29 -0.44 1.13 3.64 -0.71 -0.11 116.57 120.21 3niv h LYS 137 Ca -0.01 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.37 3niv h LYS 137 Cb 0.13 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 3niv h LYS 137 CO 0.02 0.24 0.24 1.15 -2.27 0.00 0.00 179.45 178.84 3niv h THR 138 N 0.26 1.00 0.09 1.00 2.02 -0.98 -1.04 112.91 115.27 3niv h THR 138 Ca 0.08 -0.16 -0.00 0.00 0.77 0.00 0.00 66.41 67.09 3niv h THR 138 Cb 0.03 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 3niv h THR 138 CO -0.01 0.09 -0.04 1.23 0.37 0.00 0.00 175.52 177.15 3niv h GLY 139 N 0.48 -0.13 0.74 2.16 0.00 -1.10 -2.92 103.07 102.31 3niv h GLY 139 Ca 0.18 0.05 0.07 0.00 0.00 0.00 0.00 47.33 47.63 3niv h GLY 139 CO -0.11 -0.05 0.64 0.74 0.00 0.00 0.00 176.54 177.76 3niv h PHE 140 N -0.60 1.17 -0.31 5.60 0.04 -1.00 0.30 116.94 122.14 3niv h PHE 140 Ca -0.01 0.03 0.06 0.00 2.80 0.00 0.00 57.97 60.85 3niv h PHE 140 Cb 0.49 -0.38 -0.06 0.00 2.20 0.00 0.00 35.95 38.20 3niv h PHE 140 CO 0.08 0.60 -0.06 -0.44 -0.60 0.00 0.00 178.31 177.88 3niv h ASP 141 N 1.14 -0.26 -0.17 2.17 3.32 -1.22 0.30 116.42 121.70 3niv h ASP 141 Ca 0.43 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.56 3niv h ASP 141 Cb 0.19 0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 3niv h ASP 141 CO -0.17 -0.09 0.05 0.00 -1.72 0.00 0.00 179.24 177.31 3niv h ALA 142 N 1.30 0.22 0.50 3.45 0.00 -1.12 -1.80 119.26 121.80 3niv h ALA 142 Ca 0.15 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3niv h ALA 142 Cb 0.22 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3niv h ALA 142 CO -0.31 -0.16 -0.26 0.35 0.00 0.00 0.00 179.25 178.88 3niv h PHE 143 N 0.10 -0.67 -0.80 0.00 3.04 -0.58 -1.35 116.94 116.67 3niv h PHE 143 Ca 0.05 -0.01 0.14 0.00 3.98 0.00 0.00 57.97 62.13 3niv h PHE 143 Cb 0.23 0.23 -0.09 0.00 2.56 0.00 0.00 35.95 38.87 3niv h PHE 143 CO -0.00 -0.41 0.38 1.49 -2.02 0.00 0.00 178.31 177.75 3niv h GLU 144 N -0.70 0.54 -0.03 1.11 4.57 -0.46 -0.70 114.58 118.92 3niv h GLU 144 Ca -0.06 -0.03 0.03 0.00 -1.18 0.00 0.00 59.36 58.11 3niv h GLU 144 Cb 0.55 -0.12 -0.06 0.00 -0.16 0.00 0.00 28.75 28.96 3niv h GLU 144 CO 0.09 0.36 -0.45 1.49 -1.18 0.00 0.00 179.01 179.32 3niv h GLU 145 N 0.56 -0.56 -0.01 1.92 4.57 -0.74 -1.81 114.58 118.50 3niv h GLU 145 Ca 0.43 0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.61 3niv h GLU 145 Cb 0.61 0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.32 3niv h GLU 145 CO -0.37 -0.38 -0.20 0.87 -1.18 0.00 0.00 179.01 177.76 3niv h LYS 146 N -0.59 0.01 -0.92 1.92 1.57 -0.50 -2.09 116.57 115.98 3niv h LYS 146 Ca 0.04 -0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.86 3niv h LYS 146 Cb 0.67 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.92 3niv h LYS 146 CO -0.34 0.21 0.60 -0.07 -0.57 0.00 0.00 179.45 179.27 3niv h LEU 147 N 0.01 0.98 -2.20 2.94 4.07 -0.37 -2.71 115.31 118.03 3niv h LEU 147 Ca 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.95 3niv h LEU 147 Cb 0.35 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 41.87 3niv h LEU 147 CO 0.03 0.66 0.00 1.23 -1.08 0.00 0.00 178.44 179.28 3niv h GLY 148 N 1.13 0.00 -0.31 0.83 0.00 -0.62 -1.80 103.07 102.30 3niv h GLY 148 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 3niv h GLY 148 CO -0.12 0.00 -0.18 0.00 0.00 0.00 0.00 176.54 176.24 3niv n ALA 149 N -2.08 2.92 -2.68 3.60 0.00 -1.02 -4.95 120.51 116.30 3niv n ALA 149 Ca -0.01 -0.47 -0.27 0.00 0.00 0.00 0.00 53.44 52.70 3niv n ALA 149 Cb 0.19 -1.08 -0.07 0.00 0.00 0.00 0.00 19.45 18.49 3niv n ALA 149 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3niv s LEU 150 N -2.30 3.38 -0.00 0.00 1.43 -0.68 -5.12 118.68 115.39 3niv s LEU 150 Ca 0.28 -0.36 0.01 0.00 -1.03 0.00 0.00 54.13 53.03 3niv s LEU 150 Cb 0.20 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 3niv s LEU 150 CO 0.45 0.09 0.04 -1.61 0.23 0.00 0.00 176.35 175.55 3niv s GLU 151 N -2.96 2.92 0.05 1.70 2.02 -1.26 -5.02 118.70 116.14 3niv s GLU 151 Ca 0.28 -0.56 -0.17 0.00 0.02 0.00 0.00 54.97 54.55 3niv s GLU 151 Cb -0.09 -2.76 0.03 0.00 0.10 0.00 0.00 34.13 31.41 3niv s GLU 151 CO 0.19 0.63 0.38 -0.98 0.02 0.00 0.00 175.26 175.50 3niv s ARG 152 N -1.66 0.90 -0.07 1.61 1.70 -1.26 -0.82 118.95 119.35 3niv s ARG 152 Ca 0.21 -0.44 0.10 0.00 -0.47 0.00 0.00 55.73 55.13 3niv s ARG 152 Cb -0.12 0.40 0.16 0.00 -0.57 0.00 0.00 34.95 34.82 3niv s ARG 152 CO 0.12 -0.31 1.09 -0.25 -1.08 0.00 0.00 175.30 174.87 3niv n ASP 153 N 0.45 2.23 -3.63 -2.89 8.00 -0.63 -4.90 116.55 115.17 3niv n ASP 153 Ca -0.18 -2.58 -0.01 0.00 0.71 0.00 0.00 54.79 52.73 3niv n ASP 153 Cb 0.60 -0.23 0.00 0.00 -0.02 0.00 0.00 41.12 41.47 3niv n ASP 153 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 3niv s LYS 154 N -2.00 0.80 -1.19 -1.24 -2.85 -1.25 -4.97 119.74 107.03 3niv s LYS 154 Ca 0.18 -0.47 -0.15 0.00 -1.00 0.00 0.00 55.97 54.53 3niv s LYS 154 Cb 0.15 0.25 -0.05 0.00 -2.06 0.00 0.00 37.83 36.12 3niv s LYS 154 CO 0.02 -0.37 2.22 -2.30 0.10 0.00 0.00 175.35 175.02 3niv n PRO 155 N -0.59 2.43 -4.35 1.78 -0.02 -1.26 -4.82 135.00 128.18 3niv n PRO 155 Ca -0.05 -2.15 -0.18 0.00 -2.02 0.00 0.00 63.50 59.10 3niv n PRO 155 Cb 0.61 -2.99 -0.10 0.00 -0.02 0.00 0.00 33.50 31.00 3niv n PRO 155 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3niv s VAL 156 N 3.67 1.72 0.27 -1.45 -7.23 -1.26 -4.26 120.40 111.85 3niv s VAL 156 Ca 0.53 -2.21 -0.00 0.00 -1.81 0.00 0.00 61.98 58.49 3niv s VAL 156 Cb 0.14 -2.06 0.25 0.00 0.56 0.00 0.00 36.38 35.27 3niv s VAL 156 CO -0.01 -0.59 1.78 0.00 -0.31 0.00 0.00 175.10 175.97 3niv s PHE 158 N -5.97 -0.43 0.00 0.00 5.36 -1.26 -4.78 117.98 110.90 3niv s PHE 158 Ca -0.12 0.98 0.00 0.00 -0.96 0.00 0.00 56.93 56.83 3niv s PHE 158 Cb 0.22 0.14 0.00 0.00 -0.34 0.00 0.00 43.02 43.04 3niv s PHE 158 CO 0.79 -0.26 0.00 0.41 -1.46 0.00 0.00 175.22 174.69 3niv n GLY 159 N 4.00 1.65 0.00 13.12 0.00 -0.00 -4.04 105.19 119.92 3niv n GLY 159 Ca -0.22 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.24 3niv n GLY 159 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3niv n SER 160 N 4.45 1.35 -4.06 1.61 7.64 -1.26 -1.61 113.62 121.74 3niv n SER 160 Ca 0.00 -1.69 -0.17 0.00 1.01 0.00 0.00 58.87 58.02 3niv n SER 160 Cb 0.00 -0.01 -0.13 0.00 -1.01 0.00 0.00 64.21 63.06 3niv n SER 160 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3niv s GLU 161 N -0.69 0.67 0.53 1.43 0.41 -1.26 -4.95 118.70 114.83 3niv s GLU 161 Ca 0.00 -0.55 -0.21 0.00 -0.41 0.00 0.00 54.97 53.80 3niv s GLU 161 Cb 0.00 -0.59 -0.06 0.00 -1.78 0.00 0.00 34.13 31.70 3niv s GLU 161 CO 0.00 0.15 1.21 0.08 -0.49 0.00 0.00 175.26 176.20 3niv s VAL 162 N -0.73 2.79 0.00 2.63 1.01 -1.26 -4.68 120.40 120.16 3niv s VAL 162 Ca -0.01 0.54 0.00 0.00 0.00 0.00 0.00 61.98 62.51 3niv s VAL 162 Cb -0.06 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 33.06 3niv s VAL 162 CO 0.00 -0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.66 3niv n GLY 163 N 0.47 4.69 0.34 4.51 0.00 -1.26 -4.85 105.19 109.09 3niv n GLY 163 Ca 0.10 -1.55 -0.03 0.00 0.00 0.00 0.00 46.02 44.54 3niv n GLY 163 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3niv h LEU 164 N 0.00 1.01 -0.79 0.99 5.85 -0.76 -1.99 115.31 119.63 3niv h LEU 164 Ca 0.00 -0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.73 3niv h LEU 164 Cb 0.00 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 40.72 3niv h LEU 164 CO 0.00 0.74 0.49 0.00 -0.34 0.00 0.00 178.44 179.33 3niv h ALA 165 N 1.32 1.05 -0.40 1.25 0.00 -1.84 -1.51 119.26 119.13 3niv h ALA 165 Ca 0.32 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 3niv h ALA 165 Cb -0.13 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 3niv h ALA 165 CO -0.07 0.26 0.18 -0.44 0.00 0.00 0.00 179.25 179.18 3niv h ASP 166 N 0.93 0.53 -0.61 0.00 5.19 -1.86 0.21 116.42 120.81 3niv h ASP 166 Ca 0.33 -0.14 0.11 0.00 -0.62 0.00 0.00 57.03 56.71 3niv h ASP 166 Cb 0.08 -0.14 -0.04 0.00 0.18 0.00 0.00 39.33 39.42 3niv h ASP 166 CO -0.14 0.52 0.41 0.58 -3.12 0.00 0.00 179.24 177.50 3niv h VAL 167 N 0.50 0.87 0.08 -1.35 2.07 -0.91 -2.44 116.25 115.06 3niv h VAL 167 Ca 0.14 -0.13 -0.32 0.00 0.82 0.00 0.00 66.70 67.21 3niv h VAL 167 Cb 0.14 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 3niv h VAL 167 CO -0.02 0.07 -1.76 0.00 0.02 0.00 0.00 177.57 175.88 3niv h LEU 169 N 0.04 -0.43 -0.33 0.00 5.85 -0.32 -3.09 115.31 117.03 3niv h LEU 169 Ca -0.32 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.44 3niv h LEU 169 Cb 2.02 0.11 -0.07 0.00 0.37 0.00 0.00 40.66 43.09 3niv h LEU 169 CO 0.10 -0.26 -0.11 0.40 -0.34 0.00 0.00 178.44 178.24 3niv h ILE 170 N -0.57 0.62 -0.11 4.05 5.03 -1.65 -0.09 117.51 124.79 3niv h ILE 170 Ca -0.05 0.00 -0.06 0.00 -0.12 0.00 0.00 64.86 64.63 3niv h ILE 170 Cb 0.43 0.62 -0.01 0.00 -3.03 0.00 0.00 36.82 34.83 3niv h ILE 170 CO 0.09 0.00 -0.20 -0.65 -0.68 0.00 0.00 178.15 176.71 3niv h PRO 171 N -0.03 0.18 -0.45 2.37 0.11 -1.76 -0.90 132.00 131.52 3niv h PRO 171 Ca 0.16 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 66.12 3niv h PRO 171 Cb 0.28 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.36 3niv h PRO 171 CO -0.36 0.38 -0.12 0.37 -0.21 0.00 0.00 178.00 178.06 3niv h GLN 172 N 0.17 0.88 -0.38 1.05 5.75 -1.16 -2.42 115.11 119.01 3niv h GLN 172 Ca 0.03 -0.34 0.00 0.00 -0.15 0.00 0.00 58.65 58.19 3niv h GLN 172 Cb 0.45 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.94 3niv h GLN 172 CO 0.03 0.98 0.24 0.28 -2.65 0.00 0.00 178.83 177.72 3niv h VAL 173 N 0.72 1.10 -0.87 2.39 2.07 -0.51 -1.01 116.25 120.15 3niv h VAL 173 Ca 0.11 -0.21 0.17 0.00 0.82 0.00 0.00 66.70 67.59 3niv h VAL 173 Cb 0.66 0.57 -0.10 0.00 -1.52 0.00 0.00 31.29 30.90 3niv h VAL 173 CO 0.05 0.10 0.44 0.22 0.02 0.00 0.00 177.57 178.40 3niv h TYR 174 N 0.51 0.76 -0.33 1.57 5.03 -1.07 0.11 116.97 123.55 3niv h TYR 174 Ca 0.14 0.04 -0.07 0.00 2.58 0.00 0.00 58.73 61.41 3niv h TYR 174 Cb -0.04 -0.21 -0.02 0.00 1.55 0.00 0.00 36.73 38.02 3niv h TYR 174 CO -0.05 0.13 -0.09 -0.91 -1.32 0.00 0.00 178.16 175.93 3niv h ASN 175 N 0.58 0.52 -0.12 -2.11 2.35 -0.76 -0.62 115.58 115.42 3niv h ASN 175 Ca 0.49 -0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 56.10 3niv h ASN 175 Cb 0.76 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.99 3niv h ASN 175 CO -0.40 0.66 0.02 0.00 -1.65 0.00 0.00 177.43 176.06 3niv h ALA 176 N 1.40 0.16 -0.22 -0.83 0.00 0.40 -1.96 119.26 118.21 3niv h ALA 176 Ca 0.10 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3niv h ALA 176 Cb 0.47 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3niv h ALA 176 CO 0.03 -0.20 0.10 0.45 0.00 0.00 0.00 179.25 179.63 3niv h HIS 177 N -0.02 0.33 -0.89 0.00 3.86 -1.13 -1.01 115.15 116.29 3niv h HIS 177 Ca 0.04 -0.02 0.25 0.00 -1.16 0.00 0.00 60.37 59.48 3niv h HIS 177 Cb 0.27 -0.10 -0.04 0.00 1.06 0.00 0.00 27.41 28.60 3niv h HIS 177 CO 0.01 0.35 0.63 -0.09 0.86 0.00 0.00 177.93 179.69 3niv h ARG 178 N 0.22 0.06 -0.36 2.45 2.43 -0.99 0.37 114.38 118.57 3niv h ARG 178 Ca 0.08 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 3niv h ARG 178 Cb 0.15 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 3niv h ARG 178 CO -0.01 0.04 0.01 1.19 -1.51 0.00 0.00 179.97 179.70 3niv n PHE 179 N -4.31 1.28 -3.53 2.20 3.01 -0.75 -4.97 117.46 110.40 3niv n PHE 179 Ca 0.19 -0.91 -0.21 0.00 1.01 0.00 0.00 57.45 57.53 3niv n PHE 179 Cb 0.92 -0.39 0.08 0.00 -0.01 0.00 0.00 39.48 40.08 3niv n PHE 179 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 3niv n HIS 180 N -0.30 -2.60 -3.72 1.38 8.25 0.13 -4.97 115.22 113.40 3niv n HIS 180 Ca 0.25 0.98 -0.36 0.00 -0.26 0.00 0.00 57.72 58.33 3niv n HIS 180 Cb 1.00 -5.05 -0.09 0.00 1.12 0.00 0.00 29.99 26.96 3niv n HIS 180 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 3niv s PHE 181 N -3.34 3.35 0.94 4.41 5.36 -0.46 -5.03 117.98 123.21 3niv s PHE 181 Ca 0.35 0.25 -0.16 0.00 -0.96 0.00 0.00 56.93 56.41 3niv s PHE 181 Cb -0.15 -2.21 0.23 0.00 -0.34 0.00 0.00 43.02 40.55 3niv s PHE 181 CO 0.73 0.16 1.02 -3.47 -1.46 0.00 0.00 175.22 172.19 3niv n ASP 182 N 3.92 -1.02 0.00 6.13 -0.08 -1.26 -4.57 116.55 119.67 3niv n ASP 182 Ca -0.16 -1.22 0.00 0.00 -1.51 0.00 0.00 54.79 51.91 3niv n ASP 182 Cb 0.52 -0.85 0.00 0.00 2.34 0.00 0.00 41.12 43.13 3niv n ASP 182 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3niv n ALA 184 N -4.19 0.00 1.67 -1.67 0.00 -1.26 -4.95 120.51 110.11 3niv n ALA 184 Ca -0.18 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.40 3niv n ALA 184 Cb 0.49 0.00 0.63 0.00 0.00 0.00 0.00 19.45 20.57 3niv n ALA 184 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3niv n SER 185 N 0.21 0.86 -3.12 0.00 7.64 -1.26 -4.34 113.62 113.61 3niv n SER 185 Ca 0.00 -1.37 -0.26 0.00 1.01 0.00 0.00 58.87 58.25 3niv n SER 185 Cb 0.00 -0.02 -0.05 0.00 -1.01 0.00 0.00 64.21 63.13 3niv n SER 185 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 3niv n TYR 186 N -0.29 3.09 -0.17 1.43 4.01 -1.26 -4.95 117.16 119.02 3niv n TYR 186 Ca 0.19 -3.99 -0.01 0.00 -0.16 0.00 0.00 57.90 53.93 3niv n TYR 186 Cb 0.23 -0.49 0.07 0.00 -0.31 0.00 0.00 39.34 38.85 3niv n TYR 186 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3niv h PRO 187 N 3.38 0.15 0.09 -0.72 0.11 -2.00 -0.58 132.00 132.43 3niv h PRO 187 Ca 0.14 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.24 3niv h PRO 187 Cb 0.64 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.71 3niv h PRO 187 CO 0.75 0.10 -0.04 0.82 -0.21 0.00 0.00 178.00 179.42 3niv h ILE 188 N 0.15 0.99 -0.78 4.15 2.04 -1.97 -1.27 117.51 120.83 3niv h ILE 188 Ca 0.27 -0.28 0.13 0.00 1.00 0.00 0.00 64.86 65.98 3niv h ILE 188 Cb 0.40 1.18 -0.09 0.00 -0.74 0.00 0.00 36.82 37.58 3niv h ILE 188 CO -0.41 0.07 0.37 0.40 0.00 0.00 0.00 178.15 178.58 3niv h ILE 189 N -0.24 0.75 -0.35 -0.67 2.04 -1.81 -0.01 117.51 117.21 3niv h ILE 189 Ca -0.01 -0.20 -0.09 0.00 1.00 0.00 0.00 64.86 65.57 3niv h ILE 189 Cb 0.20 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.39 3niv h ILE 189 CO 0.02 0.10 -0.15 0.78 0.00 0.00 0.00 178.15 178.91 3niv h ASN 190 N 0.57 0.61 -0.33 1.72 2.35 -0.83 -0.08 115.58 119.59 3niv h ASN 190 Ca 0.41 -0.18 -0.04 0.00 -0.55 0.00 0.00 56.30 55.94 3niv h ASN 190 Cb 0.55 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 3niv h ASN 190 CO -0.34 0.78 0.03 -0.33 -1.65 0.00 0.00 177.43 175.92 3niv h GLU 191 N 0.56 0.56 0.20 0.81 5.08 -0.08 -2.18 114.58 119.53 3niv h GLU 191 Ca 0.10 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 3niv h GLU 191 Cb 0.57 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.77 3niv h GLU 191 CO 0.04 0.66 -0.09 0.82 -1.00 0.00 0.00 179.01 179.44 3niv h ILE 192 N 0.38 0.85 -0.67 3.13 2.04 -0.57 -0.32 117.51 122.34 3niv h ILE 192 Ca 0.10 -0.21 0.14 0.00 1.00 0.00 0.00 64.86 65.88 3niv h ILE 192 Cb 0.39 0.98 -0.10 0.00 -0.74 0.00 0.00 36.82 37.35 3niv h ILE 192 CO 0.01 0.05 0.15 -1.13 0.00 0.00 0.00 178.15 177.23 3niv h ASN 193 N -0.37 0.00 -0.05 1.72 -1.24 -1.06 -0.29 115.58 114.30 3niv h ASN 193 Ca -0.03 0.13 -0.00 0.00 0.71 0.00 0.00 56.30 57.11 3niv h ASN 193 Cb 0.28 0.18 -0.00 0.00 0.73 0.00 0.00 38.32 39.51 3niv h ASN 193 CO 0.04 -0.02 0.02 -0.08 -1.29 0.00 0.00 177.43 176.11 3niv h GLU 194 N 0.26 0.08 0.66 6.67 4.81 -1.04 -1.90 114.58 124.12 3niv h GLU 194 Ca 0.37 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.56 3niv h GLU 194 Cb 0.59 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 3niv h GLU 194 CO -0.46 0.19 -0.48 -0.92 -0.73 0.00 0.00 179.01 176.61 3niv h TYR 195 N -0.05 -1.28 -0.98 0.92 3.20 -0.37 -2.96 116.97 115.45 3niv h TYR 195 Ca 0.02 -0.00 0.17 0.00 3.14 0.00 0.00 58.73 62.05 3niv h TYR 195 Cb 0.14 0.47 -0.09 0.00 1.54 0.00 0.00 36.73 38.79 3niv h TYR 195 CO -0.03 -0.68 0.61 0.00 -1.64 0.00 0.00 178.16 176.42 3niv n LEU 197 N -4.67 0.00 0.20 0.00 4.77 -0.72 -1.51 117.00 115.07 3niv n LEU 197 Ca 0.21 0.42 0.09 0.00 -0.03 0.00 0.00 56.01 56.70 3niv n LEU 197 Cb 0.52 -0.42 0.23 0.00 -2.33 0.00 0.00 43.42 41.42 3niv n LEU 197 CO 0.25 -0.18 0.71 0.71 -1.33 0.00 0.00 177.39 177.55 3niv h THR 198 N 0.00 0.41 -3.38 -5.08 1.35 0.09 -3.39 112.91 102.91 3niv h THR 198 Ca 0.00 -1.39 -0.55 0.00 -0.55 0.00 0.00 66.41 63.91 3niv h THR 198 Cb 0.24 2.05 -0.04 0.00 -1.73 0.00 0.00 68.15 68.66 3niv h THR 198 CO 0.00 0.21 0.09 -0.76 -0.25 0.00 0.00 175.52 174.81 3niv s LEU 199 N -6.41 4.45 0.28 3.87 1.43 -0.57 -4.94 118.68 116.79 3niv s LEU 199 Ca 0.04 1.34 0.03 0.00 -1.03 0.00 0.00 54.13 54.51 3niv s LEU 199 Cb 0.07 -3.10 0.68 0.00 0.03 0.00 0.00 46.19 43.87 3niv s LEU 199 CO 0.68 0.07 1.73 -0.65 0.23 0.00 0.00 176.35 178.40 3niv h PRO 200 N 5.54 0.49 -0.93 1.29 0.11 -1.88 -0.70 132.00 135.93 3niv h PRO 200 Ca -0.45 -0.03 0.10 0.00 0.11 0.00 0.00 66.00 65.73 3niv h PRO 200 Cb 1.20 -0.11 -0.07 0.00 0.11 0.00 0.00 31.00 32.13 3niv h PRO 200 CO 0.70 0.33 0.60 0.00 -0.21 0.00 0.00 178.00 179.41 3niv h ALA 201 N 1.66 1.59 0.00 -0.75 0.00 -1.91 0.26 119.26 120.11 3niv h ALA 201 Ca 0.54 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.42 3niv h ALA 201 Cb 0.93 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 3niv h ALA 201 CO -0.46 0.22 -0.14 0.74 0.00 0.00 0.00 179.25 179.61 3niv h PHE 202 N 0.94 0.00 -0.55 0.00 -1.00 -1.61 -3.31 116.94 111.42 3niv h PHE 202 Ca 0.43 0.00 0.11 0.00 2.81 0.00 0.00 57.97 61.32 3niv h PHE 202 Cb 0.40 0.00 -0.09 0.00 3.61 0.00 0.00 35.95 39.87 3niv h PHE 202 CO -0.00 0.68 0.04 1.25 -1.61 0.00 0.00 178.31 178.67 3niv h HIS 203 N -1.00 0.04 0.00 -0.55 2.76 -0.93 -0.93 115.15 114.53 3niv h HIS 203 Ca -0.03 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 3niv h HIS 203 Cb 0.69 0.07 0.00 0.00 1.55 0.00 0.00 27.41 29.72 3niv h HIS 203 CO 0.15 -0.10 0.00 -0.25 -1.30 0.00 0.00 177.93 176.43 3niv n ASP 204 N -5.21 0.07 -0.09 3.26 8.00 0.91 -2.60 116.55 120.90 3niv n ASP 204 Ca 0.07 0.51 0.11 0.00 0.71 0.00 0.00 54.79 56.19 3niv n ASP 204 Cb 0.30 -0.53 -0.04 0.00 -0.02 0.00 0.00 41.12 40.83 3niv n ASP 204 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3niv n ALA 205 N -1.53 4.36 -1.75 2.24 0.00 -0.38 -4.80 120.51 118.64 3niv n ALA 205 Ca 0.05 -0.57 -0.36 0.00 0.00 0.00 0.00 53.44 52.56 3niv n ALA 205 Cb 0.23 -0.83 0.04 0.00 0.00 0.00 0.00 19.45 18.89 3niv n ALA 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3niv s ALA 206 N -2.90 2.53 0.39 0.00 0.00 -1.02 -4.84 121.76 115.91 3niv s ALA 206 Ca 0.11 1.03 0.07 0.00 0.00 0.00 0.00 51.96 53.17 3niv s ALA 206 Cb 0.17 -3.46 0.83 0.00 0.00 0.00 0.00 23.12 20.65 3niv s ALA 206 CO 0.79 -1.21 2.00 -1.35 0.00 0.00 0.00 175.76 175.99 3niv h PRO 207 N 0.85 0.61 -0.77 0.00 0.11 -1.91 -1.08 132.00 129.81 3niv h PRO 207 Ca -0.51 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.57 3niv h PRO 207 Cb 1.30 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 32.24 3niv h PRO 207 CO 0.55 0.40 0.49 1.49 -0.21 0.00 0.00 178.00 180.72 3niv h GLU 208 N 0.63 1.03 0.00 1.05 4.22 -1.91 -1.56 114.58 118.04 3niv h GLU 208 Ca 0.24 -0.08 -0.02 0.00 0.08 0.00 0.00 59.36 59.59 3niv h GLU 208 Cb 0.16 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 3niv h GLU 208 CO -0.07 0.71 -0.07 0.00 -2.18 0.00 0.00 179.01 177.40 3niv h ALA 209 N 1.27 1.81 -0.01 2.92 0.00 -1.48 -3.54 119.26 120.23 3niv h ALA 209 Ca 0.28 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3niv h ALA 209 Cb -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3niv h ALA 209 CO -0.06 0.09 0.00 -0.89 0.00 0.00 0.00 179.25 178.39