#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wis n SER 2 N 0.00 -2.95 -3.66 1.61 2.88 -1.26 -5.07 113.62 105.17 1wis n SER 2 Ca 0.00 1.40 -0.01 0.00 -1.33 0.00 0.00 58.87 58.93 1wis n SER 2 Cb 0.00 -4.69 -0.01 0.00 -0.75 0.00 0.00 64.21 58.76 1wis n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wis s SER 3 N -0.55 -0.11 0.00 -3.46 0.01 -1.26 -5.19 113.70 103.14 1wis s SER 3 Ca -0.19 -0.22 0.00 0.00 1.31 0.00 0.00 55.95 56.85 1wis s SER 3 Cb 0.01 0.28 0.00 0.00 0.21 0.00 0.00 66.02 66.52 1wis s SER 3 CO 0.52 -0.51 0.00 0.61 0.41 0.00 0.00 173.24 174.27 1wis n GLY 4 N -0.45 1.24 3.69 3.44 0.00 -1.26 -5.19 105.19 106.65 1wis n GLY 4 Ca -0.07 -0.82 -0.09 0.00 0.00 0.00 0.00 46.02 45.05 1wis n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wis s SER 5 N 0.00 -0.29 -0.01 1.61 0.01 -1.26 -5.17 113.70 108.58 1wis s SER 5 Ca 0.00 -0.52 0.01 0.00 1.31 0.00 0.00 55.95 56.75 1wis s SER 5 Cb 0.00 0.66 0.01 0.00 0.21 0.00 0.00 66.02 66.90 1wis s SER 5 CO 0.00 -1.20 -0.04 -0.94 0.41 0.00 0.00 173.24 171.46 1wis s SER 6 N -2.89 0.62 0.20 2.44 1.04 -1.26 -5.15 113.70 108.70 1wis s SER 6 Ca 0.10 -0.09 -0.10 0.00 0.48 0.00 0.00 55.95 56.34 1wis s SER 6 Cb -0.04 -0.16 -0.01 0.00 0.10 0.00 0.00 66.02 65.92 1wis s SER 6 CO 0.02 0.02 0.36 -0.83 0.98 0.00 0.00 173.24 173.79 1wis s GLY 7 N 0.24 0.56 -0.77 7.32 0.00 -1.26 -5.07 107.32 108.34 1wis s GLY 7 Ca -0.02 -0.92 0.02 0.00 0.00 0.00 0.00 44.72 43.79 1wis s GLY 7 CO -0.00 -0.77 1.44 -1.30 0.00 0.00 0.00 173.10 172.46 1wis n THR 8 N -0.30 4.26 0.04 0.90 -2.24 -1.26 -4.63 114.28 111.05 1wis n THR 8 Ca -0.04 -5.52 0.00 0.00 -2.27 0.00 0.00 64.05 56.22 1wis n THR 8 Cb 0.63 -1.42 0.00 0.00 -2.10 0.00 0.00 70.33 67.43 1wis n THR 8 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1wis n ILE 9 N -0.24 0.24 -3.00 2.28 5.41 -1.26 -5.10 119.36 117.69 1wis n ILE 9 Ca 0.41 0.08 -0.12 0.00 1.00 0.00 0.00 62.75 64.11 1wis n ILE 9 Cb 0.35 -0.70 0.01 0.00 -0.71 0.00 0.00 39.64 38.59 1wis n ILE 9 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1wis n SER 10 N -2.90 -7.32 -3.75 4.38 2.88 -1.26 -5.04 113.62 100.61 1wis n SER 10 Ca 0.00 0.57 -0.12 0.00 -1.33 0.00 0.00 58.87 57.98 1wis n SER 10 Cb 0.00 -4.22 -0.11 0.00 -0.75 0.00 0.00 64.21 59.12 1wis n SER 10 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wis s SER 11 N -2.00 -0.34 0.34 -3.46 0.15 -1.26 -5.10 113.70 102.03 1wis s SER 11 Ca 0.20 0.65 0.00 0.00 0.70 0.00 0.00 55.95 57.50 1wis s SER 11 Cb -0.04 0.62 0.00 0.00 -1.71 0.00 0.00 66.02 64.89 1wis s SER 11 CO 0.73 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.64 1wis n GLY 12 N 3.32 -4.50 3.67 9.45 0.00 -1.26 -4.81 105.19 111.07 1wis n GLY 12 Ca -0.16 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 1wis n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wis s VAL 13 N -2.31 3.96 0.44 1.61 0.11 -1.26 -4.99 120.40 117.96 1wis s VAL 13 Ca 0.00 1.24 -0.22 0.00 -2.93 0.00 0.00 61.98 60.07 1wis s VAL 13 Cb 0.00 -3.80 -0.09 0.00 -1.53 0.00 0.00 36.38 30.96 1wis s VAL 13 CO 0.00 -0.06 1.05 -2.16 -3.33 0.00 0.00 175.10 170.60 1wis s PRO 14 N 3.09 4.00 0.67 1.54 0.04 -1.26 -5.03 135.00 138.04 1wis s PRO 14 Ca 0.61 1.45 -0.12 0.00 0.04 0.00 0.00 61.00 62.98 1wis s PRO 14 Cb -0.27 -2.34 -0.00 0.00 0.04 0.00 0.00 34.50 31.92 1wis s PRO 14 CO 0.22 -0.28 1.06 -1.25 0.04 0.00 0.00 177.00 176.79 1wis s PRO 15 N -2.83 3.06 0.42 0.56 0.04 -1.26 -5.08 135.00 129.91 1wis s PRO 15 Ca 0.62 1.00 0.03 0.00 0.04 0.00 0.00 61.00 62.70 1wis s PRO 15 Cb -0.20 -2.00 0.03 0.00 0.04 0.00 0.00 34.50 32.37 1wis s PRO 15 CO 0.24 -1.01 0.26 0.39 0.04 0.00 0.00 177.00 176.93 1wis n GLU 16 N -2.85 0.89 -2.97 4.56 1.02 -1.18 -4.89 120.64 115.23 1wis n GLU 16 Ca 0.08 -2.70 -0.31 0.00 -0.02 0.00 0.00 57.16 54.21 1wis n GLU 16 Cb 0.53 0.37 -0.05 0.00 -0.02 0.00 0.00 31.44 32.27 1wis n GLU 16 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1wis s LEU 17 N 0.00 3.93 0.00 -4.62 1.43 -1.26 -4.72 118.68 113.44 1wis s LEU 17 Ca 0.20 1.24 0.00 0.00 -1.03 0.00 0.00 54.13 54.54 1wis s LEU 17 Cb -0.02 -4.09 0.00 0.00 0.03 0.00 0.00 46.19 42.12 1wis s LEU 17 CO 0.13 -0.32 0.00 -0.81 0.23 0.00 0.00 176.35 175.58 1wis n PRO 18 N -0.85 0.19 -4.27 1.29 -0.04 -1.21 -4.49 135.00 125.62 1wis n PRO 18 Ca 0.03 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.35 1wis n PRO 18 Cb 0.54 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.89 1wis n PRO 18 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1wis s GLY 19 N -1.94 1.58 -0.16 0.55 0.00 -0.15 -4.78 107.32 102.41 1wis s GLY 19 Ca 0.00 -1.78 -0.29 0.00 0.00 0.00 0.00 44.72 42.65 1wis s GLY 19 CO 0.00 -1.52 1.27 2.56 0.00 0.00 0.00 173.10 175.42 1wis s PRO 20 N -4.07 4.23 0.59 2.90 0.04 -1.26 -4.59 135.00 132.85 1wis s PRO 20 Ca 0.37 1.68 -0.15 0.00 0.04 0.00 0.00 61.00 62.93 1wis s PRO 20 Cb 0.07 -3.77 -0.04 0.00 0.04 0.00 0.00 34.50 30.81 1wis s PRO 20 CO 0.12 -0.71 1.05 -1.25 0.04 0.00 0.00 177.00 176.25 1wis s PRO 21 N 3.48 3.36 0.00 0.56 0.04 -1.26 -4.74 135.00 136.45 1wis s PRO 21 Ca 0.55 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.74 1wis s PRO 21 Cb -0.22 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.28 1wis s PRO 21 CO 0.15 -0.77 0.00 0.25 0.04 0.00 0.00 177.00 176.67 1wis n THR 22 N -2.08 0.00 -2.45 1.26 -2.24 -1.25 -4.81 114.28 102.72 1wis n THR 22 Ca 0.08 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.66 1wis n THR 22 Cb 0.53 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.76 1wis n THR 22 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1wis n ASN 23 N -1.02 -5.79 -4.72 3.42 3.02 -1.26 -3.44 115.26 105.48 1wis n ASN 23 Ca 0.00 -0.05 -0.42 0.00 -0.03 0.00 0.00 54.58 54.08 1wis n ASN 23 Cb 0.00 -4.79 -0.03 0.00 -0.61 0.00 0.00 39.78 34.35 1wis n ASN 23 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1wis s LEU 24 N -5.87 4.37 -0.12 3.41 2.96 -1.26 -4.35 118.68 117.81 1wis s LEU 24 Ca 0.03 2.28 -0.28 0.00 -0.22 0.00 0.00 54.13 55.95 1wis s LEU 24 Cb -0.01 -3.59 0.07 0.00 0.50 0.00 0.00 46.19 43.16 1wis s LEU 24 CO 0.04 -0.63 0.67 -0.83 -1.32 0.00 0.00 176.35 174.28 1wis s GLY 25 N 1.10 -0.54 -0.12 7.98 0.00 -1.11 -4.77 107.32 109.85 1wis s GLY 25 Ca 0.64 1.50 0.01 0.00 0.00 0.00 0.00 44.72 46.87 1wis s GLY 25 CO 0.30 1.18 -0.16 -0.42 0.00 0.00 0.00 173.10 174.00 1wis s ILE 26 N -0.65 2.75 0.23 0.90 1.09 -1.26 -0.13 121.20 124.13 1wis s ILE 26 Ca -0.07 -0.77 0.04 0.00 -1.10 0.00 0.00 60.65 58.75 1wis s ILE 26 Cb -0.02 -2.13 -0.05 0.00 -1.06 0.00 0.00 42.46 39.20 1wis s ILE 26 CO 0.07 0.53 -0.03 -0.94 -0.10 0.00 0.00 174.94 174.47 1wis s SER 27 N 0.35 2.05 -1.33 3.58 1.04 -0.53 -4.82 113.70 114.05 1wis s SER 27 Ca -0.13 -1.18 -0.03 0.00 0.48 0.00 0.00 55.95 55.09 1wis s SER 27 Cb -0.17 -0.04 -0.00 0.00 0.10 0.00 0.00 66.02 65.92 1wis s SER 27 CO 0.07 -0.44 0.58 0.59 0.98 0.00 0.00 173.24 175.02 1wis n ASN 28 N -0.42 -1.44 -4.59 7.02 3.02 -1.26 -2.07 115.26 115.52 1wis n ASN 28 Ca -0.06 -0.94 -0.42 0.00 -0.03 0.00 0.00 54.58 53.13 1wis n ASN 28 Cb 0.63 -3.48 -0.03 0.00 -0.61 0.00 0.00 39.78 36.30 1wis n ASN 28 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1wis s ILE 29 N -3.78 3.13 0.12 2.41 1.01 -1.26 -4.08 121.20 118.75 1wis s ILE 29 Ca 0.08 0.12 -0.02 0.00 0.00 0.00 0.00 60.65 60.84 1wis s ILE 29 Cb -0.03 -3.20 0.03 0.00 0.01 0.00 0.00 42.46 39.27 1wis s ILE 29 CO 0.86 -0.14 0.17 0.61 0.00 0.00 0.00 174.94 176.43 1wis n GLY 30 N 5.73 -0.56 0.09 6.18 0.00 0.38 -4.56 105.19 112.45 1wis n GLY 30 Ca 0.29 -1.77 -0.15 0.00 0.00 0.00 0.00 46.02 44.39 1wis n GLY 30 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wis h PRO 31 N 0.00 0.14 0.00 1.61 0.13 -1.88 -2.36 132.00 129.64 1wis h PRO 31 Ca -0.06 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 1wis h PRO 31 Cb 0.17 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.33 1wis h PRO 31 CO 0.04 0.86 -0.08 0.54 -0.23 0.00 0.00 178.00 179.13 1wis n ARG 32 N -4.57 1.33 -3.69 0.86 1.74 -1.26 -3.58 116.66 107.49 1wis n ARG 32 Ca -0.09 -1.39 -0.14 0.00 -0.77 0.00 0.00 57.85 55.46 1wis n ARG 32 Cb 0.46 -0.89 -0.08 0.00 -1.02 0.00 0.00 32.46 30.92 1wis n ARG 32 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1wis s SER 33 N -1.14 -0.37 0.14 0.55 1.04 -1.26 -1.38 113.70 111.27 1wis s SER 33 Ca 0.07 0.45 -0.10 0.00 0.48 0.00 0.00 55.95 56.84 1wis s SER 33 Cb 0.06 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.71 1wis s SER 33 CO 0.01 -0.41 0.29 0.68 0.98 0.00 0.00 173.24 174.78 1wis s VAL 34 N -0.89 0.09 -0.40 5.02 -7.23 -1.11 0.14 120.40 116.02 1wis s VAL 34 Ca -0.09 -1.16 -0.15 0.00 -1.81 0.00 0.00 61.98 58.77 1wis s VAL 34 Cb -0.03 -1.56 0.02 0.00 0.56 0.00 0.00 36.38 35.37 1wis s VAL 34 CO 0.05 -0.41 0.29 -0.89 -0.31 0.00 0.00 175.10 173.83 1wis s THR 35 N -3.90 5.23 -0.41 5.32 2.01 -0.88 0.89 115.64 123.90 1wis s THR 35 Ca 0.10 -0.65 -0.18 0.00 0.31 0.00 0.00 61.69 61.27 1wis s THR 35 Cb 0.03 -3.90 0.01 0.00 0.01 0.00 0.00 72.50 68.66 1wis s THR 35 CO -0.06 -0.29 0.50 -0.22 -0.69 0.00 0.00 174.62 173.86 1wis s LEU 36 N 1.68 4.65 0.29 4.42 0.20 -0.26 -1.45 118.68 128.20 1wis s LEU 36 Ca 0.05 -0.44 -0.02 0.00 0.69 0.00 0.00 54.13 54.41 1wis s LEU 36 Cb -0.19 -2.50 -0.04 0.00 -0.43 0.00 0.00 46.19 43.02 1wis s LEU 36 CO 0.10 -0.59 0.51 -1.10 -0.29 0.00 0.00 176.35 174.98 1wis s GLN 37 N 2.35 3.56 0.02 1.98 -0.21 0.82 -2.80 119.66 125.38 1wis s GLN 37 Ca 0.16 -0.19 -0.03 0.00 0.02 0.00 0.00 55.36 55.32 1wis s GLN 37 Cb -0.16 -2.70 0.01 0.00 1.00 0.00 0.00 33.01 31.16 1wis s GLN 37 CO 0.15 0.24 0.15 1.97 -2.12 0.00 0.00 175.29 175.67 1wis n PHE 38 N -1.15 -0.61 -3.65 0.91 -1.74 -1.10 -2.77 117.46 107.34 1wis n PHE 38 Ca -0.03 -0.17 -0.11 0.00 -0.56 0.00 0.00 57.45 56.58 1wis n PHE 38 Cb 0.55 0.08 -0.08 0.00 1.52 0.00 0.00 39.48 41.55 1wis n PHE 38 CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 1wis s ARG 39 N -2.01 0.69 -0.35 3.97 0.52 -1.22 -4.74 118.95 115.81 1wis s ARG 39 Ca 0.03 1.02 -0.29 0.00 -0.52 0.00 0.00 55.73 55.98 1wis s ARG 39 Cb -0.00 0.23 0.00 0.00 0.52 0.00 0.00 34.95 35.70 1wis s ARG 39 CO 0.01 -0.12 1.38 -1.25 0.02 0.00 0.00 175.30 175.33 1wis s PRO 40 N 1.01 3.73 0.00 3.54 0.04 -1.26 -3.76 135.00 138.30 1wis s PRO 40 Ca -0.05 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.10 1wis s PRO 40 Cb -0.05 -3.97 0.00 0.00 0.04 0.00 0.00 34.50 30.52 1wis s PRO 40 CO -0.09 -1.37 0.22 0.41 0.04 0.00 0.00 177.00 176.21 1wis n GLY 41 N 4.74 -0.88 2.81 0.56 0.00 -1.26 -4.73 105.19 106.43 1wis n GLY 41 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 1wis n GLY 41 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1wis s TYR 42 N -1.36 2.53 0.17 1.61 6.14 -1.26 -4.97 117.35 120.21 1wis s TYR 42 Ca 0.00 -2.77 -0.21 0.00 0.64 0.00 0.00 57.07 54.72 1wis s TYR 42 Cb 0.00 -2.30 0.08 0.00 0.42 0.00 0.00 41.96 40.17 1wis s TYR 42 CO 0.00 -0.76 1.61 -0.44 0.64 0.00 0.00 175.55 176.60 1wis h ASP 43 N 6.57 -0.94 0.00 4.32 3.32 -1.85 -0.38 116.42 127.46 1wis h ASP 43 Ca -0.03 0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1wis h ASP 43 Cb 0.90 0.46 0.00 0.00 0.22 0.00 0.00 39.33 40.92 1wis h ASP 43 CO 0.58 -0.29 0.00 0.61 -1.72 0.00 0.00 179.24 178.42 1wis n GLY 44 N -1.41 0.92 3.05 2.75 0.00 -1.26 -3.34 105.19 105.90 1wis n GLY 44 Ca 0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 1wis n GLY 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wis n LYS 45 N 0.00 -4.21 -3.64 1.61 5.02 -1.26 -3.09 118.16 112.59 1wis n LYS 45 Ca 0.00 0.79 -0.05 0.00 -2.02 0.00 0.00 58.31 57.02 1wis n LYS 45 Cb 0.00 -5.59 -0.07 0.00 -0.02 0.00 0.00 35.03 29.35 1wis n LYS 45 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1wis s THR 46 N -3.08 0.00 0.86 -0.18 -1.32 -1.26 -4.86 115.64 105.80 1wis s THR 46 Ca 0.30 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.67 1wis s THR 46 Cb -0.14 -1.00 0.11 0.00 -1.51 0.00 0.00 72.50 69.96 1wis s THR 46 CO 0.37 0.00 1.10 -0.44 -2.21 0.00 0.00 174.62 173.43 1wis s SER 47 N 0.17 3.69 0.15 8.08 0.01 -1.26 -4.71 113.70 119.82 1wis s SER 47 Ca 0.05 1.71 -0.28 0.00 1.31 0.00 0.00 55.95 58.74 1wis s SER 47 Cb -0.05 -2.37 -0.07 0.00 0.21 0.00 0.00 66.02 63.74 1wis s SER 47 CO -0.12 -2.54 0.89 -0.63 0.41 0.00 0.00 173.24 171.26 1wis s ILE 48 N -2.86 4.39 -0.02 1.44 -1.09 -1.26 -4.75 121.20 117.05 1wis s ILE 48 Ca 0.63 1.93 0.12 0.00 -2.23 0.00 0.00 60.65 61.10 1wis s ILE 48 Cb -0.19 -4.26 -0.21 0.00 -1.58 0.00 0.00 42.46 36.23 1wis s ILE 48 CO 0.57 0.42 0.84 0.28 -1.23 0.00 0.00 174.94 175.81 1wis h SER 49 N 4.96 0.00 -3.18 3.58 0.02 0.15 -3.37 113.55 115.70 1wis h SER 49 Ca -0.44 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 60.55 1wis h SER 49 Cb 1.21 0.00 -0.25 0.00 0.14 0.00 0.00 62.40 63.50 1wis h SER 49 CO 0.69 0.95 0.33 -0.60 -1.14 0.00 0.00 176.83 177.06 1wis s ARG 50 N -2.66 0.56 -0.16 3.45 3.00 -1.20 -2.58 118.95 119.36 1wis s ARG 50 Ca -0.03 0.76 -0.12 0.00 -1.00 0.00 0.00 55.73 55.34 1wis s ARG 50 Cb 0.08 0.23 -0.05 0.00 0.00 0.00 0.00 34.95 35.21 1wis s ARG 50 CO 0.82 -0.08 0.23 -1.58 0.00 0.00 0.00 175.30 174.68 1wis s TRP 51 N 0.66 3.48 -0.04 5.12 0.52 0.23 -2.17 118.94 126.75 1wis s TRP 51 Ca -0.02 0.53 -0.03 0.00 0.02 0.00 0.00 56.10 56.61 1wis s TRP 51 Cb -0.05 -2.22 -0.04 0.00 -1.15 0.00 0.00 33.47 30.01 1wis s TRP 51 CO -0.08 0.36 0.12 -1.17 0.02 0.00 0.00 176.95 176.19 1wis s LEU 52 N 0.11 4.13 -0.24 2.99 2.96 -0.76 -0.71 118.68 127.16 1wis s LEU 52 Ca 0.14 0.28 -0.03 0.00 -0.22 0.00 0.00 54.13 54.30 1wis s LEU 52 Cb -0.12 -2.31 0.08 0.00 0.50 0.00 0.00 46.19 44.33 1wis s LEU 52 CO 0.03 0.31 0.07 -0.69 -1.32 0.00 0.00 176.35 174.74 1wis s VAL 53 N -1.18 0.49 0.29 1.68 1.01 0.96 -2.18 120.40 121.47 1wis s VAL 53 Ca 0.22 -0.78 0.06 0.00 0.00 0.00 0.00 61.98 61.48 1wis s VAL 53 Cb -0.12 -1.16 -0.02 0.00 0.00 0.00 0.00 36.38 35.07 1wis s VAL 53 CO 0.13 -0.41 0.34 -1.61 0.00 0.00 0.00 175.10 173.55 1wis s GLU 54 N 1.85 3.11 0.22 2.72 2.02 -1.26 -0.02 118.70 127.34 1wis s GLU 54 Ca 0.03 -0.99 -0.22 0.00 0.02 0.00 0.00 54.97 53.81 1wis s GLU 54 Cb -0.17 -2.73 0.04 0.00 0.10 0.00 0.00 34.13 31.38 1wis s GLU 54 CO -0.17 0.26 0.66 0.00 0.02 0.00 0.00 175.26 176.02 1wis s ALA 55 N -2.13 -1.39 0.02 5.21 0.00 -0.82 -1.23 121.76 121.43 1wis s ALA 55 Ca 0.38 0.07 0.07 0.00 0.00 0.00 0.00 51.96 52.48 1wis s ALA 55 Cb -0.08 0.87 -0.02 0.00 0.00 0.00 0.00 23.12 23.88 1wis s ALA 55 CO 0.28 -0.90 -0.20 -0.65 0.00 0.00 0.00 175.76 174.29 1wis s GLN 56 N -3.84 1.42 0.02 0.00 -0.21 -1.25 -3.59 119.66 112.21 1wis s GLN 56 Ca 0.06 -0.84 -0.30 0.00 0.02 0.00 0.00 55.36 54.30 1wis s GLN 56 Cb -0.03 -1.47 -0.04 0.00 1.00 0.00 0.00 33.01 32.47 1wis s GLN 56 CO -0.03 0.39 1.01 0.08 -2.12 0.00 0.00 175.29 174.62 1wis s VAL 57 N -0.68 4.72 0.00 1.09 1.01 -1.26 -3.35 120.40 121.92 1wis s VAL 57 Ca 0.07 1.96 0.00 0.00 0.00 0.00 0.00 61.98 64.02 1wis s VAL 57 Cb -0.08 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 32.04 1wis s VAL 57 CO 0.01 0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.88 1wis n GLY 58 N 2.91 0.50 3.51 4.51 0.00 -0.37 -4.29 105.19 111.97 1wis n GLY 58 Ca 0.06 0.51 -0.36 0.00 0.00 0.00 0.00 46.02 46.23 1wis n GLY 58 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1wis n VAL 59 N 0.00 -0.01 -2.60 1.61 0.31 -1.26 -4.73 118.33 111.65 1wis n VAL 59 Ca 0.00 -0.20 -0.43 0.00 -0.01 0.00 0.00 64.34 63.70 1wis n VAL 59 Cb 0.00 -0.73 0.00 0.00 -0.91 0.00 0.00 33.84 32.20 1wis n VAL 59 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1wis n VAL 60 N 7.24 3.98 0.00 2.52 0.31 -1.26 -4.81 118.33 126.31 1wis n VAL 60 Ca 0.62 -4.16 0.00 0.00 -0.01 0.00 0.00 64.34 60.79 1wis n VAL 60 Cb 0.12 -2.38 0.00 0.00 -0.91 0.00 0.00 33.84 30.67 1wis n VAL 60 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wis n GLY 61 N 5.12 -0.19 2.36 2.92 0.00 -1.26 -5.09 105.19 109.05 1wis n GLY 61 Ca 0.47 -2.07 -0.03 0.00 0.00 0.00 0.00 46.02 44.39 1wis n GLY 61 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wis n GLU 62 N 0.00 -3.22 -2.90 1.61 -0.58 -1.26 -3.75 120.64 110.54 1wis n GLU 62 Ca 0.00 2.58 -0.10 0.00 -0.42 0.00 0.00 57.16 59.23 1wis n GLU 62 Cb 0.00 -4.18 -0.02 0.00 -0.57 0.00 0.00 31.44 26.67 1wis n GLU 62 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wis n GLY 63 N 1.03 -0.46 3.44 0.62 0.00 -1.26 -4.87 105.19 103.70 1wis n GLY 63 Ca -0.22 0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 1wis n GLY 63 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wis s GLU 64 N -5.32 2.19 0.44 1.61 0.41 -1.25 -5.13 118.70 111.65 1wis s GLU 64 Ca 0.19 -0.90 0.04 0.00 -0.41 0.00 0.00 54.97 53.89 1wis s GLU 64 Cb -0.11 -2.22 0.01 0.00 -1.78 0.00 0.00 34.13 30.02 1wis s GLU 64 CO 0.24 0.56 0.62 -1.83 -0.49 0.00 0.00 175.26 174.36 1wis s GLU 65 N -1.15 2.91 -0.22 1.61 -1.05 -1.26 -4.80 118.70 114.74 1wis s GLU 65 Ca 0.13 -0.85 -0.03 0.00 -0.15 0.00 0.00 54.97 54.07 1wis s GLU 65 Cb -0.10 -2.65 -0.01 0.00 -0.44 0.00 0.00 34.13 30.92 1wis s GLU 65 CO 0.03 -0.28 -0.05 -1.58 0.95 0.00 0.00 175.26 174.33 1wis s TRP 66 N -2.46 2.95 0.22 4.83 0.52 -1.26 -4.83 118.94 118.90 1wis s TRP 66 Ca 0.51 -1.00 0.07 0.00 0.02 0.00 0.00 56.10 55.70 1wis s TRP 66 Cb -0.10 -2.09 -0.04 0.00 -1.15 0.00 0.00 33.47 30.09 1wis s TRP 66 CO 0.35 -0.57 0.07 -0.51 0.02 0.00 0.00 176.95 176.32 1wis s LEU 67 N 1.46 3.50 0.42 2.99 1.43 -1.24 -4.92 118.68 122.33 1wis s LEU 67 Ca 0.06 -0.38 -0.23 0.00 -1.03 0.00 0.00 54.13 52.55 1wis s LEU 67 Cb -0.14 -2.08 -0.09 0.00 0.03 0.00 0.00 46.19 43.91 1wis s LEU 67 CO -0.04 0.03 1.05 -0.22 0.23 0.00 0.00 176.35 177.40 1wis s LEU 68 N -3.40 4.08 0.00 1.79 2.96 -1.26 -1.95 118.68 120.90 1wis s LEU 68 Ca 0.30 2.02 0.00 0.00 -0.22 0.00 0.00 54.13 56.23 1wis s LEU 68 Cb -0.08 -4.26 0.00 0.00 0.50 0.00 0.00 46.19 42.35 1wis s LEU 68 CO 0.21 -0.55 0.00 2.30 -1.32 0.00 0.00 176.35 176.99 1wis n ILE 69 N -0.25 0.00 -3.92 6.68 -5.35 0.97 -4.88 119.36 112.62 1wis n ILE 69 Ca 0.06 0.00 -0.14 0.00 -0.27 0.00 0.00 62.75 62.40 1wis n ILE 69 Cb 0.50 -0.61 -0.15 0.00 -1.74 0.00 0.00 39.64 37.64 1wis n ILE 69 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 1wis s HIS 70 N -1.77 0.12 -0.03 4.28 5.04 -0.91 -4.96 115.29 117.06 1wis s HIS 70 Ca 0.00 0.00 -0.01 0.00 -1.54 0.00 0.00 55.06 53.51 1wis s HIS 70 Cb 0.00 -0.12 0.03 0.00 0.04 0.00 0.00 32.58 32.53 1wis s HIS 70 CO 0.00 -0.03 0.05 1.14 -2.34 0.00 0.00 174.74 173.56 1wis s GLN 71 N 0.21 -0.03 -0.18 2.88 -2.07 -1.26 -0.03 119.66 119.19 1wis s GLN 71 Ca -0.02 0.25 -0.07 0.00 -1.82 0.00 0.00 55.36 53.70 1wis s GLN 71 Cb -0.03 -0.29 -0.04 0.00 -1.09 0.00 0.00 33.01 31.56 1wis s GLN 71 CO -0.01 -0.20 0.06 -1.17 -1.32 0.00 0.00 175.29 172.65 1wis s LEU 72 N 1.31 3.81 -0.01 2.60 2.96 0.11 -4.92 118.68 124.55 1wis s LEU 72 Ca -0.06 0.09 0.08 0.00 -0.22 0.00 0.00 54.13 54.01 1wis s LEU 72 Cb -0.13 -1.96 -0.02 0.00 0.50 0.00 0.00 46.19 44.58 1wis s LEU 72 CO -0.03 0.19 -0.25 -0.44 -1.32 0.00 0.00 176.35 174.50 1wis s SER 73 N 0.29 2.88 -0.36 3.68 0.01 -1.26 0.78 113.70 119.73 1wis s SER 73 Ca 0.03 -0.46 -0.10 0.00 1.31 0.00 0.00 55.95 56.73 1wis s SER 73 Cb -0.12 -0.31 0.01 0.00 0.21 0.00 0.00 66.02 65.81 1wis s SER 73 CO 0.00 0.29 0.47 -3.20 0.41 0.00 0.00 173.24 171.21 1wis n ASN 74 N 2.39 -6.52 0.00 2.44 5.15 -1.07 -5.02 115.26 112.63 1wis n ASN 74 Ca -0.16 0.35 0.00 0.00 -0.60 0.00 0.00 54.58 54.17 1wis n ASN 74 Cb 0.52 -4.34 0.00 0.00 -0.53 0.00 0.00 39.78 35.42 1wis n ASN 74 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1wis n GLU 75 N -0.52 0.00 0.17 1.20 -0.58 -1.26 -5.02 120.64 114.62 1wis n GLU 75 Ca 0.08 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 56.95 1wis n GLU 75 Cb 0.37 0.00 0.44 0.00 -0.57 0.00 0.00 31.44 31.69 1wis n GLU 75 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 1wis h PRO 76 N 0.00 0.00 0.00 3.49 0.13 -1.94 -2.83 132.00 130.84 1wis h PRO 76 Ca 0.00 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.92 1wis h PRO 76 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 1wis h PRO 76 CO 0.00 0.00 -1.08 -0.44 -0.23 0.00 0.00 178.00 176.25 1wis h ASP 77 N 0.00 0.00 -1.57 1.44 3.32 -1.95 -3.45 116.42 114.21 1wis h ASP 77 Ca 0.00 0.00 -0.66 0.00 0.02 0.00 0.00 57.03 56.39 1wis h ASP 77 Cb 0.63 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.18 1wis h ASP 77 CO 0.00 0.95 1.22 0.00 -1.72 0.00 0.00 179.24 179.69 1wis n ALA 78 N -2.37 0.83 -0.00 3.45 0.00 -1.07 -4.81 120.51 116.53 1wis n ALA 78 Ca -0.03 0.13 -0.04 0.00 0.00 0.00 0.00 53.44 53.50 1wis n ALA 78 Cb 0.94 -2.50 -0.11 0.00 0.00 0.00 0.00 19.45 17.77 1wis n ALA 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wis n ARG 79 N 7.20 0.63 -4.02 0.00 3.00 -1.26 -4.97 116.66 117.25 1wis n ARG 79 Ca 0.31 0.20 -0.09 0.00 -0.01 0.00 0.00 57.85 58.27 1wis n ARG 79 Cb 0.25 -1.76 -0.09 0.00 0.00 0.00 0.00 32.46 30.87 1wis n ARG 79 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1wis s SER 80 N -5.79 0.27 0.05 0.55 0.01 -1.26 -2.69 113.70 104.84 1wis s SER 80 Ca -0.05 -0.93 -0.26 0.00 1.31 0.00 0.00 55.95 56.02 1wis s SER 80 Cb 0.08 0.30 0.08 0.00 0.21 0.00 0.00 66.02 66.70 1wis s SER 80 CO 0.82 -0.72 0.72 0.00 0.41 0.00 0.00 173.24 174.48 1wis s MET 81 N -3.94 1.06 0.15 12.44 0.23 -1.12 -5.02 119.30 123.10 1wis s MET 81 Ca 0.12 -0.26 -0.24 0.00 -1.03 0.00 0.00 55.69 54.28 1wis s MET 81 Cb 0.06 0.49 -0.08 0.00 -1.53 0.00 0.00 34.83 33.78 1wis s MET 81 CO -0.06 -0.44 0.74 -2.00 -2.03 0.00 0.00 175.02 171.23 1wis s GLU 82 N -2.95 4.50 -0.52 3.16 2.12 -1.26 -1.10 118.70 122.65 1wis s GLU 82 Ca -0.00 1.08 -0.02 0.00 0.36 0.00 0.00 54.97 56.39 1wis s GLU 82 Cb -0.01 -3.25 0.14 0.00 0.26 0.00 0.00 34.13 31.26 1wis s GLU 82 CO -0.07 0.59 0.32 0.08 -0.54 0.00 0.00 175.26 175.63 1wis s VAL 83 N -1.14 3.37 0.00 3.70 1.01 0.26 -4.92 120.40 122.67 1wis s VAL 83 Ca 0.34 -2.64 0.00 0.00 0.00 0.00 0.00 61.98 59.68 1wis s VAL 83 Cb -0.22 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 32.90 1wis s VAL 83 CO 0.25 -0.79 0.00 -0.81 0.00 0.00 0.00 175.10 173.75 1wis n PRO 84 N 3.89 -0.36 -3.41 2.72 -0.04 -1.26 -2.74 135.00 133.80 1wis n PRO 84 Ca 0.04 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.37 1wis n PRO 84 Cb 0.39 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.85 1wis n PRO 84 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1wis n ASP 85 N -2.72 -6.39 -4.23 3.54 2.03 -0.62 -4.83 116.55 103.33 1wis n ASP 85 Ca 0.00 -0.51 -0.22 0.00 0.52 0.00 0.00 54.79 54.58 1wis n ASP 85 Cb 0.00 -3.65 -0.12 0.00 -0.72 0.00 0.00 41.12 36.63 1wis n ASP 85 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1wis s LEU 86 N -4.56 2.28 -0.29 -2.67 1.43 -0.48 -5.00 118.68 109.39 1wis s LEU 86 Ca 0.03 -0.64 -0.23 0.00 -1.03 0.00 0.00 54.13 52.26 1wis s LEU 86 Cb -0.01 -0.73 -0.00 0.00 0.03 0.00 0.00 46.19 45.48 1wis s LEU 86 CO 0.82 0.01 0.76 0.20 0.23 0.00 0.00 176.35 178.37 1wis s ASN 87 N -1.76 6.66 0.50 2.29 -0.87 -1.26 -4.42 114.94 116.08 1wis s ASN 87 Ca 0.03 0.69 -0.19 0.00 -1.57 0.00 0.00 52.86 51.81 1wis s ASN 87 Cb -0.10 -2.40 -0.08 0.00 -0.02 0.00 0.00 41.25 38.66 1wis s ASN 87 CO 0.03 -0.57 1.04 -2.16 -2.57 0.00 0.00 177.10 172.87 1wis s PRO 88 N 2.87 3.73 -1.45 -0.60 0.04 -1.23 -3.61 135.00 134.75 1wis s PRO 88 Ca 0.31 1.33 -0.10 0.00 0.04 0.00 0.00 61.00 62.58 1wis s PRO 88 Cb -0.14 -2.09 0.05 0.00 0.04 0.00 0.00 34.50 32.36 1wis s PRO 88 CO 0.11 -0.48 1.01 0.34 0.04 0.00 0.00 177.00 178.02 1wis n PHE 89 N -1.14 -2.42 -3.77 0.56 7.35 -0.67 -4.91 117.46 112.46 1wis n PHE 89 Ca 0.09 0.93 -0.13 0.00 -0.76 0.00 0.00 57.45 57.59 1wis n PHE 89 Cb 0.53 -4.36 -0.12 0.00 0.35 0.00 0.00 39.48 35.88 1wis n PHE 89 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1wis s THR 90 N -3.35 -0.01 -0.04 -2.13 2.01 -1.24 -5.02 115.64 105.86 1wis s THR 90 Ca 0.54 0.03 -0.30 0.00 0.31 0.00 0.00 61.69 62.27 1wis s THR 90 Cb -0.26 -0.39 -0.03 0.00 0.01 0.00 0.00 72.50 71.82 1wis s THR 90 CO 0.80 0.01 1.20 0.00 -0.69 0.00 0.00 174.62 175.94 1wis s TYR 92 N 2.11 0.31 0.46 0.00 1.51 -1.26 -1.23 117.35 119.25 1wis s TYR 92 Ca 0.56 -0.76 0.04 0.00 -1.01 0.00 0.00 57.07 55.90 1wis s TYR 92 Cb -0.25 -0.21 -0.05 0.00 -0.11 0.00 0.00 41.96 41.34 1wis s TYR 92 CO 0.23 -0.44 0.02 0.45 -1.11 0.00 0.00 175.55 174.70 1wis s SER 93 N -2.72 4.04 -0.21 2.29 0.15 -1.21 -4.29 113.70 111.75 1wis s SER 93 Ca 0.03 -1.49 -0.22 0.00 0.70 0.00 0.00 55.95 54.98 1wis s SER 93 Cb 0.05 0.04 0.06 0.00 -1.71 0.00 0.00 66.02 64.46 1wis s SER 93 CO -0.09 -0.65 0.61 -0.36 1.20 0.00 0.00 173.24 173.94 1wis s PHE 94 N -2.78 -0.66 0.00 3.44 0.08 -1.26 -3.81 117.98 113.00 1wis s PHE 94 Ca 0.22 1.55 0.00 0.00 0.12 0.00 0.00 56.93 58.82 1wis s PHE 94 Cb 0.06 0.24 0.00 0.00 -0.57 0.00 0.00 43.02 42.75 1wis s PHE 94 CO 0.11 -0.35 0.00 2.89 -0.10 0.00 0.00 175.22 177.77 1wis n ARG 95 N 2.53 1.67 -4.15 0.44 1.85 -0.36 -1.65 116.66 116.98 1wis n ARG 95 Ca -0.14 0.00 -0.10 0.00 -1.00 0.00 0.00 57.85 56.61 1wis n ARG 95 Cb 0.56 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.87 1wis n ARG 95 CO 0.00 0.00 0.00 -1.64 -0.01 0.00 0.00 177.63 175.98 1wis s MET 96 N -1.28 0.86 -0.14 2.89 -1.94 -1.26 -4.14 119.30 114.29 1wis s MET 96 Ca 0.00 -1.39 -0.30 0.00 -1.71 0.00 0.00 55.69 52.30 1wis s MET 96 Cb 0.00 0.08 0.11 0.00 2.01 0.00 0.00 34.83 37.03 1wis s MET 96 CO 0.00 -0.17 0.90 1.03 -0.01 0.00 0.00 175.02 176.77 1wis s ARG 97 N -3.96 0.73 0.02 2.03 0.52 -0.92 -3.88 118.95 113.48 1wis s ARG 97 Ca 0.18 0.25 0.08 0.00 -0.52 0.00 0.00 55.73 55.72 1wis s ARG 97 Cb 0.07 0.34 -0.03 0.00 0.52 0.00 0.00 34.95 35.86 1wis s ARG 97 CO -0.02 -0.21 -0.23 -0.65 0.02 0.00 0.00 175.30 174.21 1wis s GLN 98 N -0.95 1.99 -0.10 3.54 -0.21 -1.26 -1.83 119.66 120.84 1wis s GLN 98 Ca -0.04 -1.01 0.01 0.00 0.02 0.00 0.00 55.36 54.35 1wis s GLN 98 Cb -0.01 -2.08 0.02 0.00 1.00 0.00 0.00 33.01 31.94 1wis s GLN 98 CO 0.03 0.54 -0.12 0.08 -2.12 0.00 0.00 175.29 173.70 1wis s VAL 99 N -0.79 1.26 0.16 1.09 1.01 -0.92 -1.56 120.40 120.65 1wis s VAL 99 Ca 0.12 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.64 1wis s VAL 99 Cb -0.10 -1.19 -0.05 0.00 0.00 0.00 0.00 36.38 35.05 1wis s VAL 99 CO 0.02 0.40 -0.06 0.54 0.00 0.00 0.00 175.10 176.00 1wis s ASN 100 N 1.13 1.54 0.49 3.32 4.22 0.98 0.91 114.94 127.53 1wis s ASN 100 Ca -0.05 -1.08 0.39 0.00 -2.14 0.00 0.00 52.86 49.98 1wis s ASN 100 Cb -0.14 0.04 1.58 0.00 1.28 0.00 0.00 41.25 44.01 1wis s ASN 100 CO -0.03 -0.44 1.59 -0.29 -2.04 0.00 0.00 177.10 175.89 1wis h ILE 101 N 2.75 0.03 0.00 0.54 2.10 -1.94 -0.43 117.51 120.55 1wis h ILE 101 Ca -0.37 -0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.57 1wis h ILE 101 Cb 1.19 0.01 0.00 0.00 -1.09 0.00 0.00 36.82 36.94 1wis h ILE 101 CO 0.64 0.00 0.00 0.52 -1.08 0.00 0.00 178.15 178.23 1wis n VAL 102 N -4.44 0.00 -0.36 2.19 0.31 -1.26 -5.05 118.33 109.72 1wis n VAL 102 Ca 0.41 0.98 0.00 0.00 -0.01 0.00 0.00 64.34 65.72 1wis n VAL 102 Cb 1.71 -1.85 0.00 0.00 -0.91 0.00 0.00 33.84 32.79 1wis n VAL 102 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wis n GLY 103 N 0.08 3.15 2.98 2.92 0.00 -0.17 -5.07 105.19 109.07 1wis n GLY 103 Ca 0.00 -0.21 -0.21 0.00 0.00 0.00 0.00 46.02 45.60 1wis n GLY 103 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wis s THR 104 N -0.19 0.82 1.15 2.61 2.01 -1.26 -0.01 115.64 120.77 1wis s THR 104 Ca 0.00 -0.33 -0.13 0.00 0.31 0.00 0.00 61.69 61.54 1wis s THR 104 Cb 0.00 -0.76 0.28 0.00 0.01 0.00 0.00 72.50 72.03 1wis s THR 104 CO 0.00 0.27 1.04 -0.55 -0.69 0.00 0.00 174.62 174.69 1wis s SER 105 N 0.51 1.12 0.87 3.53 0.15 -0.60 -4.93 113.70 114.35 1wis s SER 105 Ca -0.09 1.51 -0.12 0.00 0.70 0.00 0.00 55.95 57.95 1wis s SER 105 Cb -0.12 -2.27 0.11 0.00 -1.71 0.00 0.00 66.02 62.03 1wis s SER 105 CO 0.01 -4.11 1.12 -2.16 1.20 0.00 0.00 173.24 169.30 1wis s PRO 106 N -4.51 1.47 0.13 5.44 0.04 -1.26 -4.70 135.00 131.61 1wis s PRO 106 Ca 0.68 0.41 -0.30 0.00 0.04 0.00 0.00 61.00 61.83 1wis s PRO 106 Cb -0.24 -1.87 -0.07 0.00 0.04 0.00 0.00 34.50 32.36 1wis s PRO 106 CO 0.64 -2.00 1.14 -1.25 0.04 0.00 0.00 177.00 175.57 1wis s PRO 107 N -5.24 4.52 0.45 0.56 0.04 -1.26 -4.76 135.00 129.32 1wis s PRO 107 Ca 0.63 1.74 0.02 0.00 0.04 0.00 0.00 61.00 63.42 1wis s PRO 107 Cb -0.15 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 31.09 1wis s PRO 107 CO 0.54 -0.06 0.66 0.45 0.04 0.00 0.00 177.00 178.62 1wis s SER 108 N 0.38 5.74 0.84 6.66 0.15 -1.25 -5.06 113.70 121.16 1wis s SER 108 Ca 0.53 0.14 -0.12 0.00 0.70 0.00 0.00 55.95 57.19 1wis s SER 108 Cb -0.29 -1.33 0.10 0.00 -1.71 0.00 0.00 66.02 62.79 1wis s SER 108 CO 0.33 -0.75 1.17 0.00 1.20 0.00 0.00 173.24 175.19 1wis n GLN 109 N -2.06 -0.01 -1.71 5.44 10.64 -1.26 -4.69 117.38 123.72 1wis n GLN 109 Ca 0.03 0.08 -0.31 0.00 -1.83 0.00 0.00 57.00 54.96 1wis n GLN 109 Cb 0.58 -2.41 0.04 0.00 -0.86 0.00 0.00 30.24 27.59 1wis n GLN 109 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 1wis s PRO 110 N -4.25 3.07 0.70 2.61 0.04 -1.26 -4.71 135.00 131.20 1wis s PRO 110 Ca 0.71 1.01 -0.09 0.00 0.04 0.00 0.00 61.00 62.67 1wis s PRO 110 Cb -0.27 -2.01 0.04 0.00 0.04 0.00 0.00 34.50 32.30 1wis s PRO 110 CO 0.53 -1.00 1.05 -1.54 0.04 0.00 0.00 177.00 176.09 1wis s SER 111 N -3.55 5.11 0.41 6.66 1.04 -0.66 -4.97 113.70 117.74 1wis s SER 111 Ca 0.59 0.80 -0.24 0.00 0.48 0.00 0.00 55.95 57.58 1wis s SER 111 Cb -0.14 -1.53 -0.11 0.00 0.10 0.00 0.00 66.02 64.33 1wis s SER 111 CO 0.50 -1.47 0.99 0.54 0.98 0.00 0.00 173.24 174.78 1wis n ARG 112 N -2.96 1.31 -1.79 4.02 5.12 -1.26 -4.74 116.66 116.35 1wis n ARG 112 Ca 0.07 0.47 -0.42 0.00 -1.93 0.00 0.00 57.85 56.04 1wis n ARG 112 Cb 0.59 -2.00 -0.03 0.00 -1.16 0.00 0.00 32.46 29.86 1wis n ARG 112 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 1wis s LYS 113 N -1.95 4.16 0.46 5.56 2.47 -1.26 -4.96 119.74 124.22 1wis s LYS 113 Ca 0.63 2.49 0.03 0.00 -1.56 0.00 0.00 55.97 57.56 1wis s LYS 113 Cb -0.57 -3.70 -0.03 0.00 -1.46 0.00 0.00 37.83 32.07 1wis s LYS 113 CO 0.57 -0.83 0.04 0.96 0.16 0.00 0.00 175.35 176.25 1wis s ILE 114 N 3.04 1.19 -0.18 5.43 -5.25 -1.26 -5.11 121.20 119.04 1wis s ILE 114 Ca 0.79 -2.00 -0.05 0.00 -0.99 0.00 0.00 60.65 58.41 1wis s ILE 114 Cb -0.43 -2.39 0.07 0.00 2.95 0.00 0.00 42.46 42.65 1wis s ILE 114 CO 0.35 0.00 0.10 -1.58 -1.79 0.00 0.00 174.94 172.03 1wis s GLN 115 N -3.81 0.08 0.89 0.37 0.74 -1.26 -4.26 119.66 112.40 1wis s GLN 115 Ca 0.17 -0.10 -0.12 0.00 0.05 0.00 0.00 55.36 55.36 1wis s GLN 115 Cb 0.04 -1.72 0.10 0.00 1.10 0.00 0.00 33.01 32.53 1wis s GLN 115 CO 0.09 -0.70 1.00 0.25 -0.55 0.00 0.00 175.29 175.38 1wis n THR 116 N 5.28 0.66 -1.06 -0.34 -2.24 -1.26 -4.93 114.28 110.40 1wis n THR 116 Ca -0.07 -0.11 -0.08 0.00 -2.27 0.00 0.00 64.05 61.52 1wis n THR 116 Cb 0.48 -0.98 0.06 0.00 -2.10 0.00 0.00 70.33 67.80 1wis n THR 116 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1wis n LEU 117 N -3.28 0.00 -4.85 3.22 4.77 -0.89 -3.15 117.00 112.83 1wis n LEU 117 Ca 0.11 -0.39 -0.37 0.00 -0.03 0.00 0.00 56.01 55.33 1wis n LEU 117 Cb 0.52 -0.29 -0.06 0.00 -2.33 0.00 0.00 43.42 41.25 1wis n LEU 117 CO 0.49 -0.97 -0.08 -1.10 -1.33 0.00 0.00 177.39 174.40 1wis s GLN 118 N -3.79 3.66 -0.10 3.23 -0.21 -1.26 -1.67 119.66 119.51 1wis s GLN 118 Ca 0.21 0.03 -0.12 0.00 0.02 0.00 0.00 55.36 55.50 1wis s GLN 118 Cb -0.01 -3.22 -0.04 0.00 1.00 0.00 0.00 33.01 30.73 1wis s GLN 118 CO 0.15 0.70 -0.24 0.45 -2.12 0.00 0.00 175.29 174.24 1wis n SER 119 N 2.11 1.63 -0.94 5.90 2.88 -1.26 -4.84 113.62 119.10 1wis n SER 119 Ca -0.18 0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 1wis n SER 119 Cb 0.54 -0.60 -0.00 0.00 -0.75 0.00 0.00 64.21 63.40 1wis n SER 119 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wis n GLY 120 N 2.10 -1.02 3.59 0.46 0.00 -1.26 -4.50 105.19 104.56 1wis n GLY 120 Ca -0.12 -1.02 -0.43 0.00 0.00 0.00 0.00 46.02 44.45 1wis n GLY 120 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wis s PRO 121 N -0.06 3.50 -0.19 1.61 0.04 -1.26 -4.99 135.00 133.66 1wis s PRO 121 Ca 0.00 0.84 -0.01 0.00 0.04 0.00 0.00 61.00 61.88 1wis s PRO 121 Cb 0.00 -4.05 0.01 0.00 0.04 0.00 0.00 34.50 30.49 1wis s PRO 121 CO 0.00 -1.67 -0.14 -1.54 0.04 0.00 0.00 177.00 173.69 1wis s SER 122 N 4.15 3.59 -0.30 6.66 1.04 -1.26 -5.09 113.70 122.48 1wis s SER 122 Ca 0.60 -0.53 -0.10 0.00 0.48 0.00 0.00 55.95 56.40 1wis s SER 122 Cb -0.13 -1.57 -0.02 0.00 0.10 0.00 0.00 66.02 64.40 1wis s SER 122 CO 0.31 0.01 0.16 -0.55 0.98 0.00 0.00 173.24 174.15 1wis s SER 123 N 1.24 5.62 0.00 7.02 0.15 -1.26 -5.27 113.70 121.20 1wis s SER 123 Ca 0.03 -0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.27 1wis s SER 123 Cb -0.14 -2.03 0.00 0.00 -1.71 0.00 0.00 66.02 62.15 1wis s SER 123 CO -0.07 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 174.82