#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 5sic s ALA 8 N 0.00 2.88 -0.73 -3.48 0.00 -1.26 -4.90 121.76 114.26 5sic s ALA 8 Ca 0.00 0.58 -0.26 0.00 0.00 0.00 0.00 51.96 52.28 5sic s ALA 8 Cb 0.00 -4.02 0.01 0.00 0.00 0.00 0.00 23.12 19.11 5sic s ALA 8 CO 0.00 -2.59 1.50 -2.14 0.00 0.00 0.00 175.76 172.54 5sic s PRO 9 N 5.83 3.02 -0.03 0.00 0.02 -1.26 -4.72 135.00 137.86 5sic s PRO 9 Ca 0.89 -0.05 -0.01 0.00 0.02 0.00 0.00 61.00 61.85 5sic s PRO 9 Cb -0.29 -4.38 0.03 0.00 0.02 0.00 0.00 34.50 29.88 5sic s PRO 9 CO 0.34 -2.39 0.05 0.45 -0.33 0.00 0.00 177.00 175.13 5sic s SER 10 N 5.38 0.50 -0.29 2.53 0.15 -1.26 -2.14 113.70 118.57 5sic s SER 10 Ca 0.47 0.08 -0.15 0.00 0.70 0.00 0.00 55.95 57.05 5sic s SER 10 Cb -0.09 -0.07 0.13 0.00 -1.71 0.00 0.00 66.02 64.28 5sic s SER 10 CO 0.14 -0.18 0.86 0.00 1.20 0.00 0.00 173.24 175.25 5sic s ALA 11 N 1.56 -2.18 0.24 5.45 0.00 -1.18 -4.52 121.76 121.13 5sic s ALA 11 Ca -0.03 2.27 0.07 0.00 0.00 0.00 0.00 51.96 54.27 5sic s ALA 11 Cb -0.12 -1.66 -0.05 0.00 0.00 0.00 0.00 23.12 21.28 5sic s ALA 11 CO -0.03 -0.48 -0.09 -0.51 0.00 0.00 0.00 175.76 174.65 5sic s LEU 12 N 1.70 2.49 -0.01 0.00 1.43 -0.12 -1.32 118.68 122.84 5sic s LEU 12 Ca -0.08 -1.11 0.01 0.00 -1.03 0.00 0.00 54.13 51.92 5sic s LEU 12 Cb -0.05 -0.61 0.00 0.00 0.03 0.00 0.00 46.19 45.56 5sic s LEU 12 CO -0.17 -0.28 -0.04 0.68 0.23 0.00 0.00 176.35 176.76 5sic s VAL 13 N -3.05 0.35 -0.10 -1.59 -7.23 -0.78 -2.09 120.40 105.92 5sic s VAL 13 Ca 0.26 -0.16 0.03 0.00 -1.81 0.00 0.00 61.98 60.30 5sic s VAL 13 Cb 0.02 -0.32 0.00 0.00 0.56 0.00 0.00 36.38 36.65 5sic s VAL 13 CO 0.09 0.11 -0.21 -0.76 -0.31 0.00 0.00 175.10 174.02 5sic s LEU 14 N 0.05 1.98 0.32 1.32 1.02 0.59 -2.27 118.68 121.68 5sic s LEU 14 Ca -0.00 -0.50 0.09 0.00 0.02 0.00 0.00 54.13 53.74 5sic s LEU 14 Cb -0.04 -1.28 -0.06 0.00 0.02 0.00 0.00 46.19 44.84 5sic s LEU 14 CO -0.00 0.12 -0.10 0.42 0.02 0.00 0.00 176.35 176.80 5sic s THR 15 N 0.50 2.10 -0.24 5.49 -4.23 -1.04 -0.46 115.64 117.75 5sic s THR 15 Ca -0.16 -2.21 -0.11 0.00 -1.18 0.00 0.00 61.69 58.03 5sic s THR 15 Cb -0.17 -2.53 0.09 0.00 1.34 0.00 0.00 72.50 71.23 5sic s THR 15 CO 0.06 -0.26 0.55 0.54 -0.54 0.00 0.00 174.62 174.96 5sic s VAL 16 N -2.71 -0.44 0.05 2.29 0.11 -0.08 -2.40 120.40 117.22 5sic s VAL 16 Ca 0.31 0.06 -0.05 0.00 -2.93 0.00 0.00 61.98 59.37 5sic s VAL 16 Cb 0.02 -0.83 -0.01 0.00 -1.53 0.00 0.00 36.38 34.03 5sic s VAL 16 CO 0.15 0.03 0.09 -0.83 -3.33 0.00 0.00 175.10 171.21 5sic s GLY 17 N 2.17 0.20 0.49 6.54 0.00 -1.14 -0.48 107.32 115.11 5sic s GLY 17 Ca -0.07 -0.66 -0.23 0.00 0.00 0.00 0.00 44.72 43.76 5sic s GLY 17 CO -0.16 -0.80 1.31 0.28 0.00 0.00 0.00 173.10 173.72 5sic n LYS 18 N 0.52 1.80 0.00 2.90 4.76 -1.26 -0.73 118.16 126.15 5sic n LYS 18 Ca -0.18 0.65 0.00 0.00 -2.87 0.00 0.00 58.31 55.92 5sic n LYS 18 Cb 0.60 -2.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.30 5sic n LYS 18 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 5sic n GLY 19 N 0.79 3.30 0.59 0.72 0.00 -0.85 -4.45 105.19 105.30 5sic n GLY 19 Ca 0.08 -1.81 0.09 0.00 0.00 0.00 0.00 46.02 44.38 5sic n GLY 19 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 5sic n VAL 20 N -1.66 0.00 -3.55 1.61 0.31 -1.26 -3.69 118.33 110.09 5sic n VAL 20 Ca 0.00 -0.44 -0.17 0.00 -0.01 0.00 0.00 64.34 63.72 5sic n VAL 20 Cb 0.00 1.31 -0.06 0.00 -0.91 0.00 0.00 33.84 34.18 5sic n VAL 20 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 5sic s SER 21 N -1.63 -0.67 0.00 4.52 1.04 -1.26 -4.96 113.70 110.73 5sic s SER 21 Ca 0.18 0.88 0.00 0.00 0.48 0.00 0.00 55.95 57.49 5sic s SER 21 Cb 0.14 0.75 0.00 0.00 0.10 0.00 0.00 66.02 67.02 5sic s SER 21 CO 0.29 -0.52 0.13 0.00 0.98 0.00 0.00 173.24 174.12 5sic n ALA 22 N 1.34 0.00 -3.58 5.32 0.00 -1.26 -3.27 120.51 119.06 5sic n ALA 22 Ca -0.18 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.02 5sic n ALA 22 Cb 0.57 0.07 -0.16 0.00 0.00 0.00 0.00 19.45 19.92 5sic n ALA 22 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 5sic s THR 23 N -1.80 -0.15 0.00 0.00 2.01 -1.26 -4.09 115.64 110.34 5sic s THR 23 Ca 0.00 -0.12 0.00 0.00 0.31 0.00 0.00 61.69 61.88 5sic s THR 23 Cb 0.00 -0.58 0.00 0.00 0.01 0.00 0.00 72.50 71.93 5sic s THR 23 CO 0.00 -0.24 0.00 0.41 -0.69 0.00 0.00 174.62 174.10 5sic n THR 24 N 5.29 0.00 0.00 -0.82 -1.04 -1.24 -5.03 114.28 111.44 5sic n THR 24 Ca -0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 5sic n THR 24 Cb 0.49 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.00 5sic n THR 24 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 5sic n ALA 25 N 0.00 0.00 -0.90 2.41 0.00 -1.20 -4.39 120.51 116.42 5sic n ALA 25 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 5sic n ALA 25 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.53 5sic n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 5sic n ALA 26 N 0.00 -3.78 -2.63 0.00 0.00 -1.26 -4.75 120.51 108.09 5sic n ALA 26 Ca 0.00 -0.62 -0.38 0.00 0.00 0.00 0.00 53.44 52.44 5sic n ALA 26 Cb 0.00 -1.52 -0.09 0.00 0.00 0.00 0.00 19.45 17.83 5sic n ALA 26 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 5sic s PRO 27 N -2.90 4.05 -0.02 0.00 0.04 -1.26 -3.73 135.00 131.16 5sic s PRO 27 Ca 0.50 -0.13 0.20 0.00 0.04 0.00 0.00 61.00 61.61 5sic s PRO 27 Cb -0.21 -3.60 -0.30 0.00 0.04 0.00 0.00 34.50 30.44 5sic s PRO 27 CO 0.74 -0.09 0.50 -0.85 0.04 0.00 0.00 177.00 177.33 5sic n GLU 28 N 4.75 0.60 -3.86 4.56 0.28 0.37 -4.93 120.64 122.41 5sic n GLU 28 Ca -0.12 -0.16 -0.12 0.00 -0.16 0.00 0.00 57.16 56.61 5sic n GLU 28 Cb 0.52 -1.47 -0.12 0.00 1.43 0.00 0.00 31.44 31.80 5sic n GLU 28 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 5sic s ARG 29 N -3.32 0.27 -0.21 3.44 3.00 -1.07 -5.01 118.95 116.04 5sic s ARG 29 Ca -0.05 -0.11 -0.14 0.00 0.00 0.00 0.00 55.73 55.43 5sic s ARG 29 Cb 0.13 0.11 0.06 0.00 0.00 0.00 0.00 34.95 35.26 5sic s ARG 29 CO 0.83 -0.05 0.54 0.00 0.00 0.00 0.00 175.30 176.62 5sic s ALA 30 N -0.57 -1.40 0.19 2.13 0.00 -1.24 -0.90 121.76 119.97 5sic s ALA 30 Ca -0.07 1.82 -0.01 0.00 0.00 0.00 0.00 51.96 53.71 5sic s ALA 30 Cb -0.04 -1.08 -0.04 0.00 0.00 0.00 0.00 23.12 21.96 5sic s ALA 30 CO 0.00 -0.30 0.12 0.14 0.00 0.00 0.00 175.76 175.72 5sic s VAL 31 N 1.17 0.05 0.01 0.00 -7.23 0.39 -4.95 120.40 109.84 5sic s VAL 31 Ca -0.07 -1.99 0.05 0.00 -1.81 0.00 0.00 61.98 58.16 5sic s VAL 31 Cb -0.06 -2.44 -0.02 0.00 0.56 0.00 0.00 36.38 34.43 5sic s VAL 31 CO -0.11 -0.07 -0.14 0.42 -0.31 0.00 0.00 175.10 174.88 5sic s THR 32 N -4.12 1.14 0.07 5.32 -4.23 -1.20 0.22 115.64 112.84 5sic s THR 32 Ca 0.37 -0.77 0.03 0.00 -1.18 0.00 0.00 61.69 60.13 5sic s THR 32 Cb 0.07 -0.98 -0.03 0.00 1.34 0.00 0.00 72.50 72.89 5sic s THR 32 CO 0.11 0.20 -0.08 -0.22 -0.54 0.00 0.00 174.62 174.08 5sic s LEU 33 N -0.66 2.36 -0.20 4.79 2.96 -0.89 -1.57 118.68 125.48 5sic s LEU 33 Ca 0.04 -0.74 -0.07 0.00 -0.22 0.00 0.00 54.13 53.14 5sic s LEU 33 Cb -0.06 -0.19 0.09 0.00 0.50 0.00 0.00 46.19 46.53 5sic s LEU 33 CO 0.00 -0.28 0.43 -0.89 -1.32 0.00 0.00 176.35 174.29 5sic s THR 34 N -2.25 -0.66 -0.68 3.68 2.01 0.15 -0.95 115.64 116.95 5sic s THR 34 Ca 0.00 0.16 0.22 0.00 0.31 0.00 0.00 61.69 62.38 5sic s THR 34 Cb -0.04 -0.68 -0.24 0.00 0.01 0.00 0.00 72.50 71.55 5sic s THR 34 CO -0.01 0.07 0.81 0.00 -0.69 0.00 0.00 174.62 174.80 5sic s ALA 36 N -3.17 3.06 0.04 0.00 0.00 -1.26 -1.78 121.76 118.66 5sic s ALA 36 Ca 0.03 -1.12 -0.17 0.00 0.00 0.00 0.00 51.96 50.70 5sic s ALA 36 Cb 0.15 -1.95 -0.22 0.00 0.00 0.00 0.00 23.12 21.10 5sic s ALA 36 CO 0.87 -0.43 1.17 -1.00 0.00 0.00 0.00 175.76 176.37 5sic h PRO 37 N 8.11 0.54 -6.02 0.00 0.13 -1.92 -3.46 132.00 129.39 5sic h PRO 37 Ca -0.39 -0.53 -0.57 0.00 -0.87 0.00 0.00 66.00 63.64 5sic h PRO 37 Cb 1.17 0.14 -0.09 0.00 0.13 0.00 0.00 31.00 32.35 5sic h PRO 37 CO 0.59 1.16 -0.57 0.20 -0.23 0.00 0.00 178.00 179.15 5sic s GLY 38 N -4.10 2.08 0.12 1.56 0.00 -0.73 -5.08 107.32 101.17 5sic s GLY 38 Ca -0.12 -1.95 -0.31 0.00 0.00 0.00 0.00 44.72 42.34 5sic s GLY 38 CO 0.85 -1.86 1.53 -4.14 0.00 0.00 0.00 173.10 169.48 5sic s PRO 39 N -3.79 4.24 0.32 2.90 0.02 -1.23 -4.23 135.00 133.23 5sic s PRO 39 Ca 0.37 2.25 -0.18 0.00 0.02 0.00 0.00 61.00 63.45 5sic s PRO 39 Cb -0.00 -3.31 0.05 0.00 0.02 0.00 0.00 34.50 31.26 5sic s PRO 39 CO 0.21 -0.59 0.81 -1.54 -0.33 0.00 0.00 177.00 175.56 5sic s SER 40 N 1.47 -0.07 0.00 2.53 1.04 0.14 -4.85 113.70 113.96 5sic s SER 40 Ca 0.69 -0.91 0.00 0.00 0.48 0.00 0.00 55.95 56.20 5sic s SER 40 Cb -0.40 0.76 0.00 0.00 0.10 0.00 0.00 66.02 66.48 5sic s SER 40 CO 0.31 -1.48 0.00 0.61 0.98 0.00 0.00 173.24 173.65 5sic n GLY 41 N -0.53 0.67 3.41 7.32 0.00 -1.26 -0.67 105.19 114.13 5sic n GLY 41 Ca -0.07 -2.16 -0.45 0.00 0.00 0.00 0.00 46.02 43.34 5sic n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 5sic s THR 42 N -0.86 4.95 -0.30 2.61 -4.23 -0.61 -4.89 115.64 112.31 5sic s THR 42 Ca 0.00 -1.68 -0.02 0.00 -1.18 0.00 0.00 61.69 58.81 5sic s THR 42 Cb 0.00 -4.66 0.19 0.00 1.34 0.00 0.00 72.50 69.37 5sic s THR 42 CO 0.00 -1.33 0.66 -2.28 -0.54 0.00 0.00 174.62 171.13 5sic s HIS 43 N 2.09 -1.48 0.00 3.99 5.04 -1.26 -3.25 115.29 120.41 5sic s HIS 43 Ca 0.25 1.51 0.00 0.00 -1.54 0.00 0.00 55.06 55.28 5sic s HIS 43 Cb -0.09 0.50 0.00 0.00 0.04 0.00 0.00 32.58 33.02 5sic s HIS 43 CO -0.06 -0.82 0.57 -0.35 -2.34 0.00 0.00 174.74 171.74 5sic n PRO 44 N 5.43 0.54 0.00 2.88 -0.04 -1.26 -2.73 135.00 139.82 5sic n PRO 44 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 5sic n PRO 44 Cb 0.52 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.74 5sic n PRO 44 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 5sic n ALA 45 N 0.80 0.00 -0.19 0.55 0.00 -1.26 -5.08 120.51 115.32 5sic n ALA 45 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 5sic n ALA 45 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.72 5sic n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 5sic n ALA 46 N 0.00 -0.33 -0.41 0.00 0.00 -1.10 -3.12 120.51 115.54 5sic n ALA 46 Ca 0.00 0.00 0.36 0.00 0.00 0.00 0.00 53.44 53.80 5sic n ALA 46 Cb 0.00 0.00 0.60 0.00 0.00 0.00 0.00 19.45 20.05 5sic n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 5sic n GLY 47 N -0.37 -0.75 0.09 0.00 0.00 -1.26 -0.35 105.19 102.54 5sic n GLY 47 Ca 0.00 0.69 -0.15 0.00 0.00 0.00 0.00 46.02 46.56 5sic n GLY 47 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 5sic h SER 48 N 0.00 0.17 0.29 1.61 0.02 -1.96 -2.89 113.55 110.79 5sic h SER 48 Ca 0.79 -0.83 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 5sic h SER 48 Cb 2.51 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 64.96 5sic h SER 48 CO -0.45 0.99 -0.49 0.00 -1.14 0.00 0.00 176.83 175.73 5sic h ALA 49 N 0.19 -0.99 -0.77 3.77 0.00 -0.63 4.41 119.26 125.24 5sic h ALA 49 Ca -0.03 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 54.82 5sic h ALA 49 Cb 1.03 0.77 -0.11 0.00 0.00 0.00 0.00 17.79 19.48 5sic h ALA 49 CO 0.04 -1.11 -0.54 0.00 0.00 0.00 0.00 179.25 177.63 5sic h ALA 51 N 0.42 1.60 -0.55 0.00 0.00 -1.10 1.45 119.26 121.09 5sic h ALA 51 Ca 0.15 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.28 5sic h ALA 51 Cb 0.50 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.55 5sic h ALA 51 CO -0.81 -0.53 0.00 -0.25 0.00 0.00 0.00 179.25 177.66 5sic n ASP 52 N -5.16 0.00 -0.24 0.00 8.00 1.44 -0.82 116.55 119.77 5sic n ASP 52 Ca 0.27 0.84 -0.04 0.00 0.71 0.00 0.00 54.79 56.57 5sic n ASP 52 Cb 0.84 -0.41 0.02 0.00 -0.02 0.00 0.00 41.12 41.55 5sic n ASP 52 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 5sic h LEU 53 N 0.00 -1.14 -0.77 0.64 4.07 1.00 0.56 115.31 119.66 5sic h LEU 53 Ca 0.00 0.24 0.08 0.00 0.08 0.00 0.00 57.88 58.28 5sic h LEU 53 Cb 0.00 0.59 -0.11 0.00 1.08 0.00 0.00 40.66 42.22 5sic h LEU 53 CO 0.00 -0.29 -0.56 0.00 -1.08 0.00 0.00 178.44 176.50 5sic h ALA 54 N 1.16 -0.58 -0.14 1.53 0.00 0.19 5.43 119.26 126.85 5sic h ALA 54 Ca 0.27 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.28 5sic h ALA 54 Cb 0.56 1.25 -0.02 0.00 0.00 0.00 0.00 17.79 19.58 5sic h ALA 54 CO -0.75 -0.97 -0.08 0.00 0.00 0.00 0.00 179.25 177.45 5sic n ALA 55 N -3.20 -0.09 1.37 0.00 0.00 0.18 0.24 120.51 119.01 5sic n ALA 55 Ca 0.00 0.12 0.09 0.00 0.00 0.00 0.00 53.44 53.65 5sic n ALA 55 Cb 0.30 0.38 0.52 0.00 0.00 0.00 0.00 19.45 20.66 5sic n ALA 55 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 5sic n VAL 56 N -3.28 0.00 -3.60 0.00 0.31 -0.27 -4.91 118.33 106.59 5sic n VAL 56 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.14 5sic n VAL 56 Cb 0.04 -0.56 0.00 0.00 -0.91 0.00 0.00 33.84 32.41 5sic n VAL 56 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 5sic n GLY 57 N 0.33 -1.26 2.22 2.92 0.00 1.74 -3.15 105.19 107.99 5sic n GLY 57 Ca 0.13 0.55 -0.11 0.00 0.00 0.00 0.00 46.02 46.59 5sic n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 5sic n GLY 58 N -1.70 1.09 3.23 -0.02 0.00 0.43 -4.94 105.19 103.28 5sic n GLY 58 Ca -0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 5sic n GLY 58 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 5sic s ASP 59 N -2.04 6.02 0.38 1.61 -1.08 -1.19 -5.05 116.67 115.32 5sic s ASP 59 Ca 0.00 -2.47 -0.27 0.00 -0.52 0.00 0.00 52.55 49.29 5sic s ASP 59 Cb 0.00 -2.06 -0.10 0.00 -1.46 0.00 0.00 42.92 39.30 5sic s ASP 59 CO 0.00 -0.57 1.32 -0.76 0.52 0.00 0.00 175.17 175.68 5sic s LEU 60 N 0.52 4.30 0.00 -1.34 2.01 -1.26 -1.88 118.68 121.04 5sic s LEU 60 Ca 0.13 2.71 0.00 0.00 0.01 0.00 0.00 54.13 56.98 5sic s LEU 60 Cb -0.19 -3.79 0.00 0.00 0.01 0.00 0.00 46.19 42.23 5sic s LEU 60 CO -0.04 -0.74 0.00 0.59 1.01 0.00 0.00 176.35 177.17 5sic n ASN 61 N 0.40 0.00 -2.42 2.29 5.03 -1.26 -4.95 115.26 114.35 5sic n ASN 61 Ca 0.02 0.00 -0.24 0.00 0.87 0.00 0.00 54.58 55.23 5sic n ASN 61 Cb 0.42 0.00 0.01 0.00 -1.02 0.00 0.00 39.78 39.19 5sic n ASN 61 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 5sic n ALA 62 N -0.34 4.82 -3.78 5.41 0.00 -0.79 -5.01 120.51 120.82 5sic n ALA 62 Ca 0.00 -4.06 -0.35 0.00 0.00 0.00 0.00 53.44 49.02 5sic n ALA 62 Cb 0.00 -0.55 -0.11 0.00 0.00 0.00 0.00 19.45 18.79 5sic n ALA 62 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 5sic s LEU 63 N -3.51 5.13 -0.15 0.00 2.96 -1.26 -4.87 118.68 116.97 5sic s LEU 63 Ca 0.46 -2.46 -0.36 0.00 -0.22 0.00 0.00 54.13 51.55 5sic s LEU 63 Cb 0.41 -1.81 -0.17 0.00 0.50 0.00 0.00 46.19 45.12 5sic s LEU 63 CO -0.12 -0.44 1.07 0.35 -1.32 0.00 0.00 176.35 175.90 5sic n THR 64 N 4.00 0.00 0.00 3.68 -2.24 -1.26 -4.56 114.28 113.90 5sic n THR 64 Ca 0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 5sic n THR 64 Cb 0.39 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 5sic n THR 64 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 5sic n ARG 65 N 2.05 0.00 -0.01 -0.78 0.63 -1.21 -4.29 116.66 113.05 5sic n ARG 65 Ca 0.20 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 57.11 5sic n ARG 65 Cb 0.03 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 32.93 5sic n ARG 65 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 5sic n GLY 66 N 0.21 -0.24 2.33 5.14 0.00 -1.10 -4.52 105.19 107.01 5sic n GLY 66 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 5sic n GLY 66 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 5sic n GLU 67 N -3.45 0.00 -1.38 1.61 -0.58 -1.26 -4.62 120.64 110.96 5sic n GLU 67 Ca -0.04 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.69 5sic n GLU 67 Cb 0.16 0.00 0.10 0.00 -0.57 0.00 0.00 31.44 31.13 5sic n GLU 67 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 5sic n ASP 68 N 3.35 2.08 -4.14 1.62 9.92 -1.26 -5.02 116.55 123.10 5sic n ASP 68 Ca 0.00 -3.11 -0.27 0.00 -0.53 0.00 0.00 54.79 50.88 5sic n ASP 68 Cb 0.00 -0.42 -0.16 0.00 -0.64 0.00 0.00 41.12 39.89 5sic n ASP 68 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 5sic s VAL 69 N -2.65 1.48 0.08 2.53 0.11 -1.26 -5.15 120.40 115.54 5sic s VAL 69 Ca 0.38 -0.74 0.07 0.00 -2.93 0.00 0.00 61.98 58.76 5sic s VAL 69 Cb 0.38 -1.27 -0.04 0.00 -1.53 0.00 0.00 36.38 33.92 5sic s VAL 69 CO -0.07 0.42 -0.14 -0.83 -3.33 0.00 0.00 175.10 171.15 5sic s GLY 70 N 0.08 1.70 0.36 6.54 0.00 -1.26 -4.91 107.32 109.82 5sic s GLY 70 Ca -0.05 -1.23 0.09 0.00 0.00 0.00 0.00 44.72 43.52 5sic s GLY 70 CO 0.03 -1.17 0.05 0.00 0.00 0.00 0.00 173.10 172.00 5sic s PRO 72 N -3.76 4.47 -0.72 0.00 0.02 -1.26 -4.88 135.00 128.87 5sic s PRO 72 Ca 0.36 2.01 -0.07 0.00 0.02 0.00 0.00 61.00 63.33 5sic s PRO 72 Cb 0.01 -3.15 -0.10 0.00 0.02 0.00 0.00 34.50 31.27 5sic s PRO 72 CO 0.20 -0.06 3.11 1.63 -0.33 0.00 0.00 177.00 181.55 5sic n LYS 73 N 1.51 2.92 -3.70 5.54 4.76 -1.26 -4.84 118.16 123.09 5sic n LYS 73 Ca 0.01 -1.93 -0.35 0.00 -2.87 0.00 0.00 58.31 53.17 5sic n LYS 73 Cb 0.43 -2.34 -0.05 0.00 -1.84 0.00 0.00 35.03 31.23 5sic n LYS 73 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 5sic s VAL 74 N 0.40 5.24 -0.52 -0.18 -7.23 -1.26 -5.06 120.40 111.79 5sic s VAL 74 Ca 0.64 0.27 -0.09 0.00 -1.81 0.00 0.00 61.98 60.99 5sic s VAL 74 Cb 0.27 -3.59 0.13 0.00 0.56 0.00 0.00 36.38 33.76 5sic s VAL 74 CO -0.07 0.36 0.40 -0.47 -0.31 0.00 0.00 175.10 175.01 5sic s TYR 75 N -1.31 3.45 -0.50 2.82 5.04 -1.26 -4.36 117.35 121.23 5sic s TYR 75 Ca 0.29 -1.96 0.04 0.00 -2.44 0.00 0.00 57.07 52.99 5sic s TYR 75 Cb -0.13 -3.51 0.16 0.00 0.35 0.00 0.00 41.96 38.83 5sic s TYR 75 CO 0.16 -0.98 0.36 0.34 -1.34 0.00 0.00 175.55 174.09 5sic s ASP 76 N 2.44 2.96 0.37 4.32 2.15 0.05 -5.02 116.67 123.94 5sic s ASP 76 Ca 0.08 -3.17 -0.28 0.00 0.43 0.00 0.00 52.55 49.61 5sic s ASP 76 Cb -0.24 -0.91 -0.11 0.00 -0.30 0.00 0.00 42.92 41.36 5sic s ASP 76 CO -0.02 -0.17 1.48 -0.81 -0.17 0.00 0.00 175.17 175.49 5sic n PRO 77 N 2.78 2.64 -4.77 4.34 -0.04 -1.10 -3.72 135.00 135.14 5sic n PRO 77 Ca 0.22 0.93 -0.24 0.00 -0.04 0.00 0.00 63.50 64.36 5sic n PRO 77 Cb 0.41 -2.65 -0.15 0.00 -0.04 0.00 0.00 33.50 31.06 5sic n PRO 77 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 5sic s VAL 78 N -1.01 1.29 -0.14 0.52 0.11 0.12 -2.01 120.40 119.29 5sic s VAL 78 Ca 0.54 -0.69 -0.01 0.00 -2.93 0.00 0.00 61.98 58.90 5sic s VAL 78 Cb -0.48 -1.08 -0.02 0.00 -1.53 0.00 0.00 36.38 33.27 5sic s VAL 78 CO 0.62 0.37 -0.11 -0.22 -3.33 0.00 0.00 175.10 172.43 5sic s LEU 79 N -0.29 2.83 -0.21 2.54 0.20 0.09 -0.97 118.68 122.87 5sic s LEU 79 Ca 0.04 -0.29 -0.06 0.00 0.69 0.00 0.00 54.13 54.51 5sic s LEU 79 Cb -0.07 -1.65 -0.03 0.00 -0.43 0.00 0.00 46.19 44.01 5sic s LEU 79 CO -0.00 0.16 0.03 -0.22 -0.29 0.00 0.00 176.35 176.02 5sic s LEU 80 N 0.39 3.37 0.02 -0.68 2.96 0.33 -2.88 118.68 122.20 5sic s LEU 80 Ca -0.09 -0.16 0.06 0.00 -0.22 0.00 0.00 54.13 53.71 5sic s LEU 80 Cb -0.15 -1.87 -0.03 0.00 0.50 0.00 0.00 46.19 44.64 5sic s LEU 80 CO 0.05 0.06 -0.15 0.42 -1.32 0.00 0.00 176.35 175.41 5sic s THR 81 N 1.06 3.05 -0.03 3.68 -4.23 -1.01 0.66 115.64 118.82 5sic s THR 81 Ca 0.03 -1.00 -0.00 0.00 -1.18 0.00 0.00 61.69 59.53 5sic s THR 81 Cb -0.14 -2.28 0.03 0.00 1.34 0.00 0.00 72.50 71.45 5sic s THR 81 CO 0.02 0.40 0.03 -0.69 -0.54 0.00 0.00 174.62 173.84 5sic s VAL 82 N -0.91 -0.01 -0.01 2.29 1.01 0.38 -2.51 120.40 120.65 5sic s VAL 82 Ca 0.15 0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.37 5sic s VAL 82 Cb -0.11 -0.16 0.01 0.00 0.00 0.00 0.00 36.38 36.13 5sic s VAL 82 CO 0.05 0.13 0.01 -1.81 0.00 0.00 0.00 175.10 173.48 5sic s ASP 83 N 1.37 0.13 0.00 3.32 1.01 -0.96 -0.91 116.67 120.62 5sic s ASP 83 Ca -0.05 0.00 0.00 0.00 0.71 0.00 0.00 52.55 53.21 5sic s ASP 83 Cb -0.13 -0.06 0.00 0.00 1.01 0.00 0.00 42.92 43.74 5sic s ASP 83 CO -0.03 -0.06 0.00 0.61 0.21 0.00 0.00 175.17 175.90 5sic n GLY 84 N 3.63 -0.32 3.10 0.21 0.00 -0.81 -1.86 105.19 109.14 5sic n GLY 84 Ca -0.20 -0.78 -0.13 0.00 0.00 0.00 0.00 46.02 44.91 5sic n GLY 84 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 5sic s VAL 85 N -4.00 0.64 -0.17 1.61 -7.23 -0.44 0.22 120.40 111.04 5sic s VAL 85 Ca 0.00 -1.33 -0.04 0.00 -1.81 0.00 0.00 61.98 58.80 5sic s VAL 85 Cb 0.00 -0.94 0.08 0.00 0.56 0.00 0.00 36.38 36.09 5sic s VAL 85 CO 0.00 -0.50 0.27 0.86 -0.31 0.00 0.00 175.10 175.43 5sic s TRP 86 N -1.97 -0.46 -1.20 2.82 -0.00 0.56 -3.12 118.94 115.58 5sic s TRP 86 Ca -0.03 0.78 -0.04 0.00 -0.00 0.00 0.00 56.10 56.81 5sic s TRP 86 Cb -0.06 -0.10 -0.02 0.00 -0.00 0.00 0.00 33.47 33.29 5sic s TRP 86 CO -0.01 -0.48 0.86 0.94 -0.00 0.00 0.00 176.95 178.26 5sic n GLN 87 N 5.35 -4.47 -3.69 5.86 0.00 -1.25 -0.77 117.38 118.41 5sic n GLN 87 Ca -0.06 0.73 -0.29 0.00 -0.00 0.00 0.00 57.00 57.39 5sic n GLN 87 Cb 0.50 -5.44 -0.05 0.00 0.00 0.00 0.00 30.24 25.24 5sic n GLN 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 5sic n GLY 88 N -1.36 -0.35 3.38 1.69 0.00 -0.91 -4.86 105.19 102.77 5sic n GLY 88 Ca -0.22 0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 5sic n GLY 88 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 5sic s LYS 89 N -5.83 3.30 0.91 1.61 2.20 0.05 -5.06 119.74 116.93 5sic s LYS 89 Ca 0.57 -0.69 -0.11 0.00 -0.36 0.00 0.00 55.97 55.38 5sic s LYS 89 Cb -0.33 -2.60 0.14 0.00 -1.51 0.00 0.00 37.83 33.52 5sic s LYS 89 CO 0.70 0.25 1.10 1.03 -0.36 0.00 0.00 175.35 178.06 5sic s ARG 90 N 0.25 1.08 -0.07 4.03 0.52 -1.26 0.21 118.95 123.72 5sic s ARG 90 Ca -0.09 1.07 -0.15 0.00 -0.52 0.00 0.00 55.73 56.04 5sic s ARG 90 Cb -0.15 -1.77 0.03 0.00 0.52 0.00 0.00 34.95 33.58 5sic s ARG 90 CO 0.05 -2.43 0.35 0.08 0.02 0.00 0.00 175.30 173.37 5sic s VAL 91 N -2.79 0.03 -0.41 3.52 1.01 0.61 -4.70 120.40 117.66 5sic s VAL 91 Ca 0.64 -0.26 0.06 0.00 0.00 0.00 0.00 61.98 62.42 5sic s VAL 91 Cb -0.20 -0.59 0.32 0.00 0.00 0.00 0.00 36.38 35.91 5sic s VAL 91 CO 0.58 -0.14 1.22 -1.54 0.00 0.00 0.00 175.10 175.22 5sic n SER 92 N 1.91 -1.95 -4.93 3.32 3.41 -1.20 -1.93 113.62 112.25 5sic n SER 92 Ca -0.18 -2.95 -0.29 0.00 -0.26 0.00 0.00 58.87 55.19 5sic n SER 92 Cb 0.57 1.54 -0.04 0.00 -0.26 0.00 0.00 64.21 66.02 5sic n SER 92 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 5sic s TYR 93 N 0.19 3.50 -0.25 7.33 6.14 -0.09 -4.94 117.35 129.23 5sic s TYR 93 Ca 0.20 0.26 -0.18 0.00 0.64 0.00 0.00 57.07 58.00 5sic s TYR 93 Cb 0.30 -1.78 0.07 0.00 0.42 0.00 0.00 41.96 40.97 5sic s TYR 93 CO -0.09 0.51 0.64 -2.00 0.64 0.00 0.00 175.55 175.26 5sic s GLU 94 N -2.88 0.69 0.05 4.97 2.12 -1.25 0.14 118.70 122.55 5sic s GLU 94 Ca 0.36 1.05 -0.07 0.00 0.36 0.00 0.00 54.97 56.67 5sic s GLU 94 Cb -0.12 0.21 -0.01 0.00 0.26 0.00 0.00 34.13 34.47 5sic s GLU 94 CO 0.28 -0.13 0.14 0.50 -0.54 0.00 0.00 175.26 175.51 5sic s ARG 95 N 1.13 0.70 -0.16 4.30 3.52 0.21 -4.96 118.95 123.69 5sic s ARG 95 Ca -0.06 -0.82 0.01 0.00 -0.13 0.00 0.00 55.73 54.73 5sic s ARG 95 Cb -0.05 0.28 0.02 0.00 -1.56 0.00 0.00 34.95 33.64 5sic s ARG 95 CO -0.11 -0.20 -0.18 0.14 -0.81 0.00 0.00 175.30 174.14 5sic s VAL 96 N -3.10 1.89 -0.12 7.11 -7.23 -1.26 0.12 120.40 117.82 5sic s VAL 96 Ca -0.01 -0.84 -0.04 0.00 -1.81 0.00 0.00 61.98 59.29 5sic s VAL 96 Cb 0.02 -1.72 -0.03 0.00 0.56 0.00 0.00 36.38 35.20 5sic s VAL 96 CO -0.07 0.51 0.01 -0.36 -0.31 0.00 0.00 175.10 174.89 5sic s PHE 97 N 1.27 3.17 0.55 2.82 0.40 -0.15 -4.94 117.98 121.11 5sic s PHE 97 Ca 0.03 0.10 0.34 0.00 -0.60 0.00 0.00 56.93 56.79 5sic s PHE 97 Cb -0.13 -1.88 1.50 0.00 0.51 0.00 0.00 43.02 43.02 5sic s PHE 97 CO -0.10 0.33 1.84 0.66 0.70 0.00 0.00 175.22 178.64 5sic h SER 98 N 5.73 0.00 -3.24 1.36 4.64 -1.87 0.35 113.55 120.53 5sic h SER 98 Ca -0.45 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.76 5sic h SER 98 Cb 1.19 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.26 5sic h SER 98 CO 0.59 0.00 0.11 -0.46 -0.87 0.00 0.00 176.83 176.20 5sic n ASN 99 N -4.15 -1.84 0.08 4.97 0.23 -1.24 -0.77 115.26 112.54 5sic n ASN 99 Ca 0.21 -2.61 0.12 0.00 -0.53 0.00 0.00 54.58 51.77 5sic n ASN 99 Cb 1.09 3.16 0.29 0.00 -2.08 0.00 0.00 39.78 42.24 5sic n ASN 99 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 5sic n GLU 100 N -0.52 0.26 0.09 -3.83 2.13 -1.26 -3.78 120.64 113.74 5sic n GLU 100 Ca -0.05 0.14 -0.20 0.00 0.66 0.00 0.00 57.16 57.70 5sic n GLU 100 Cb 0.56 -1.73 -0.12 0.00 0.27 0.00 0.00 31.44 30.42 5sic n GLU 100 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 5sic h GLU 102 N 0.24 -0.46 -0.80 0.00 4.39 -1.96 -0.87 114.58 115.12 5sic h GLU 102 Ca -0.17 0.03 0.13 0.00 0.34 0.00 0.00 59.36 59.69 5sic h GLU 102 Cb 1.90 0.10 -0.09 0.00 -0.10 0.00 0.00 28.75 30.57 5sic h GLU 102 CO 0.23 -0.30 0.40 1.98 -1.16 0.00 0.00 179.01 180.16 5sic h MET 103 N -0.47 0.59 0.00 2.33 4.05 -1.66 0.20 114.93 119.97 5sic h MET 103 Ca 0.02 -0.04 -0.05 0.00 -0.28 0.00 0.00 59.70 59.36 5sic h MET 103 Cb 0.55 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 31.21 5sic h MET 103 CO -0.35 0.39 -0.24 -0.91 0.23 0.00 0.00 176.91 176.04 5sic h ASN 104 N 0.61 0.00 -0.11 1.39 -0.26 -1.34 -2.29 115.58 113.58 5sic h ASN 104 Ca 0.43 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.17 5sic h ASN 104 Cb 0.56 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.82 5sic h ASN 104 CO -0.34 0.24 0.00 0.00 -1.06 0.00 0.00 177.43 176.27 5sic n ALA 105 N -2.30 2.55 0.06 -0.83 0.00 0.67 -4.52 120.51 116.15 5sic n ALA 105 Ca -0.01 -0.42 -0.03 0.00 0.00 0.00 0.00 53.44 52.98 5sic n ALA 105 Cb 0.37 -1.15 -0.02 0.00 0.00 0.00 0.00 19.45 18.65 5sic n ALA 105 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 5sic h HIS 106 N 1.69 -0.21 0.00 0.00 3.86 -0.91 -2.91 115.15 116.68 5sic h HIS 106 Ca 0.00 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 5sic h HIS 106 Cb 0.37 0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.91 5sic h HIS 106 CO 0.07 -0.13 0.00 0.41 0.86 0.00 0.00 177.93 179.14 5sic n GLY 107 N 1.04 0.64 0.77 2.45 0.00 -1.26 -3.33 105.19 105.51 5sic n GLY 107 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 5sic n GLY 107 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 5sic n SER 108 N -0.27 -0.08 0.00 1.61 3.41 -1.26 -4.72 113.62 112.31 5sic n SER 108 Ca 0.00 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 5sic n SER 108 Cb 0.00 0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 5sic n SER 108 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 5sic n SER 109 N -2.24 0.00 0.05 4.04 3.41 -1.26 -4.58 113.62 113.04 5sic n SER 109 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.50 5sic n SER 109 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 5sic n SER 109 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 5sic h VAL 110 N 0.00 0.35 -3.66 -3.33 2.07 -1.88 -2.23 116.25 107.57 5sic h VAL 110 Ca 0.00 0.00 -0.77 0.00 0.82 0.00 0.00 66.70 66.75 5sic h VAL 110 Cb 0.00 0.35 -0.27 0.00 -1.52 0.00 0.00 31.29 29.85 5sic h VAL 110 CO 0.00 0.00 -0.04 -0.36 0.02 0.00 0.00 177.57 177.19 5sic s PHE 111 N -6.03 3.63 -0.11 1.57 0.08 -1.26 -4.28 117.98 111.57 5sic s PHE 111 Ca -0.15 -2.02 0.15 0.00 0.12 0.00 0.00 56.93 55.03 5sic s PHE 111 Cb 0.09 -3.70 0.31 0.00 -0.57 0.00 0.00 43.02 39.16 5sic s PHE 111 CO 0.66 -0.97 1.17 0.00 -0.10 0.00 0.00 175.22 175.98 5sic n ALA 112 N 4.10 2.92 0.00 5.36 0.00 -0.84 -4.18 120.51 127.87 5sic n ALA 112 Ca 0.08 -1.70 0.00 0.00 0.00 0.00 0.00 53.44 51.82 5sic n ALA 112 Cb 0.44 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 19.24 5sic n ALA 112 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84