#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p4i n ASP 1 N 0.00 0.00 -4.86 0.00 3.85 -1.26 -5.06 116.55 109.23 1p4i n ASP 1 Ca 0.00 0.00 -0.31 0.00 -0.71 0.00 0.00 54.79 53.77 1p4i n ASP 1 Cb 0.00 0.00 0.03 0.00 -1.35 0.00 0.00 41.12 39.80 1p4i n ASP 1 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1p4i s ALA 2 N 0.00 2.90 -0.14 2.12 0.00 -1.26 -5.08 121.76 120.29 1p4i s ALA 2 Ca 0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 51.96 51.83 1p4i s ALA 2 Cb 0.00 -3.09 -0.03 0.00 0.00 0.00 0.00 23.12 20.00 1p4i s ALA 2 CO 0.00 -0.97 -0.04 0.08 0.00 0.00 0.00 175.76 174.82 1p4i s VAL 3 N -3.18 3.85 -0.26 0.00 1.01 -1.26 -4.97 120.40 115.60 1p4i s VAL 3 Ca 0.57 -0.38 -0.11 0.00 0.00 0.00 0.00 61.98 62.06 1p4i s VAL 3 Cb -0.12 -2.67 -0.05 0.00 0.00 0.00 0.00 36.38 33.54 1p4i s VAL 3 CO 0.54 0.51 0.17 -0.69 0.00 0.00 0.00 175.10 175.63 1p4i s VAL 4 N 0.20 5.31 -0.08 2.92 1.01 -1.26 -2.25 120.40 126.25 1p4i s VAL 4 Ca -0.02 0.17 -0.00 0.00 0.00 0.00 0.00 61.98 62.12 1p4i s VAL 4 Cb -0.14 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 1p4i s VAL 4 CO 0.03 0.30 -0.04 -0.89 0.00 0.00 0.00 175.10 174.50 1p4i s THR 5 N 1.41 3.94 0.15 3.92 2.01 0.24 -3.92 115.64 123.40 1p4i s THR 5 Ca 0.07 -0.39 0.05 0.00 0.31 0.00 0.00 61.69 61.73 1p4i s THR 5 Cb -0.15 -2.63 -0.04 0.00 0.01 0.00 0.00 72.50 69.69 1p4i s THR 5 CO 0.08 0.60 -0.11 -1.10 -0.69 0.00 0.00 174.62 173.40 1p4i s GLN 6 N -0.82 1.09 0.23 4.92 -0.21 -1.26 0.00 119.66 123.61 1p4i s GLN 6 Ca 0.12 -1.47 -0.30 0.00 0.02 0.00 0.00 55.36 53.74 1p4i s GLN 6 Cb -0.11 -0.69 -0.09 0.00 1.00 0.00 0.00 33.01 33.12 1p4i s GLN 6 CO 0.02 0.09 1.36 -1.21 -2.12 0.00 0.00 175.29 173.42 1p4i s GLU 7 N -3.73 4.34 0.04 2.91 8.01 -1.26 -4.92 118.70 124.10 1p4i s GLU 7 Ca 0.17 2.16 -0.24 0.00 0.01 0.00 0.00 54.97 57.07 1p4i s GLU 7 Cb 0.02 -3.15 -0.13 0.00 -4.31 0.00 0.00 34.13 26.56 1p4i s GLU 7 CO 0.01 -0.30 1.36 0.77 0.01 0.00 0.00 175.26 177.11 1p4i h SER 9 N 5.06 -0.78 -4.27 -0.19 0.02 -1.96 -3.37 113.55 108.07 1p4i h SER 9 Ca -0.46 0.04 -0.34 0.00 -0.84 0.00 0.00 61.79 60.19 1p4i h SER 9 Cb 1.22 0.22 -0.18 0.00 0.14 0.00 0.00 62.40 63.80 1p4i h SER 9 CO 0.76 -0.51 -0.74 0.00 -1.14 0.00 0.00 176.83 175.21 1p4i s ALA 10 N -4.91 1.23 -0.16 3.77 0.00 -1.26 -1.08 121.76 119.35 1p4i s ALA 10 Ca -0.12 -1.24 -0.09 0.00 0.00 0.00 0.00 51.96 50.51 1p4i s ALA 10 Cb 0.02 0.01 0.06 0.00 0.00 0.00 0.00 23.12 23.20 1p4i s ALA 10 CO 0.38 -0.01 0.39 -0.51 0.00 0.00 0.00 175.76 176.01 1p4i s LEU 11 N -2.51 0.00 -0.10 0.00 1.02 -0.42 -4.93 118.68 111.75 1p4i s LEU 11 Ca 0.07 0.84 -0.02 0.00 0.02 0.00 0.00 54.13 55.04 1p4i s LEU 11 Cb -0.03 1.27 -0.03 0.00 0.02 0.00 0.00 46.19 47.42 1p4i s LEU 11 CO 0.01 -0.19 -0.00 -0.89 0.02 0.00 0.00 176.35 175.30 1p4i s THR 12 N 1.32 4.28 0.15 5.49 2.01 -1.26 -1.46 115.64 126.17 1p4i s THR 12 Ca -0.09 -0.25 -0.00 0.00 0.31 0.00 0.00 61.69 61.66 1p4i s THR 12 Cb -0.08 -2.82 0.00 0.00 0.01 0.00 0.00 72.50 69.61 1p4i s THR 12 CO -0.12 0.58 0.19 1.07 -0.69 0.00 0.00 174.62 175.66 1p4i n THR 13 N 2.45 0.00 -3.97 -0.82 5.66 -0.29 -4.98 114.28 112.32 1p4i n THR 13 Ca -0.18 -0.82 -0.10 0.00 -3.05 0.00 0.00 64.05 59.90 1p4i n THR 13 Cb 0.53 0.48 -0.11 0.00 -1.55 0.00 0.00 70.33 69.68 1p4i n THR 13 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1p4i s SER 14 N -1.95 0.25 0.16 1.09 0.01 -1.26 -1.28 113.70 110.72 1p4i s SER 14 Ca 0.13 -0.43 -0.34 0.00 1.31 0.00 0.00 55.95 56.62 1p4i s SER 14 Cb -0.00 0.08 -0.14 0.00 0.21 0.00 0.00 66.02 66.17 1p4i s SER 14 CO 0.10 -0.25 1.53 -2.65 0.41 0.00 0.00 173.24 172.37 1p4i n PRO 15 N 1.80 2.00 0.00 12.44 -0.02 -1.26 -0.42 135.00 149.54 1p4i n PRO 15 Ca -0.22 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1p4i n PRO 15 Cb 0.56 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 1p4i n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1p4i n GLY 16 N 3.17 0.68 3.95 -1.23 0.00 0.41 -4.89 105.19 107.29 1p4i n GLY 16 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 1p4i n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1p4i s GLU 17 N -0.85 2.34 -0.12 1.61 0.41 0.43 -4.45 118.70 118.07 1p4i s GLU 17 Ca 0.00 -0.54 0.02 0.00 -0.41 0.00 0.00 54.97 54.03 1p4i s GLU 17 Cb 0.00 -2.33 -0.01 0.00 -1.78 0.00 0.00 34.13 30.01 1p4i s GLU 17 CO 0.00 -1.00 -0.18 0.99 -0.49 0.00 0.00 175.26 174.58 1p4i s THR 18 N -3.01 2.62 0.04 3.63 2.01 -1.26 0.76 115.64 120.42 1p4i s THR 18 Ca 0.59 -0.82 0.05 0.00 0.31 0.00 0.00 61.69 61.82 1p4i s THR 18 Cb -0.10 -2.06 -0.02 0.00 0.01 0.00 0.00 72.50 70.32 1p4i s THR 18 CO 0.42 0.54 -0.15 0.54 -0.69 0.00 0.00 174.62 175.28 1p4i s VAL 19 N 0.34 1.19 -0.13 3.82 0.11 -0.83 -4.99 120.40 119.91 1p4i s VAL 19 Ca -0.14 -1.02 -0.00 0.00 -2.93 0.00 0.00 61.98 57.89 1p4i s VAL 19 Cb -0.17 -1.07 0.03 0.00 -1.53 0.00 0.00 36.38 33.64 1p4i s VAL 19 CO 0.07 0.04 -0.09 -0.89 -3.33 0.00 0.00 175.10 170.90 1p4i s THR 20 N -0.83 1.18 -0.08 5.04 2.01 -1.26 -1.29 115.64 120.41 1p4i s THR 20 Ca 0.03 -0.42 -0.11 0.00 0.31 0.00 0.00 61.69 61.49 1p4i s THR 20 Cb -0.08 -1.19 -0.05 0.00 0.01 0.00 0.00 72.50 71.19 1p4i s THR 20 CO 0.01 0.36 0.27 -0.76 -0.69 0.00 0.00 174.62 173.82 1p4i s LEU 21 N 1.64 4.40 0.23 4.42 1.43 0.01 -4.93 118.68 125.88 1p4i s LEU 21 Ca 0.04 0.68 0.10 0.00 -1.03 0.00 0.00 54.13 53.92 1p4i s LEU 21 Cb -0.13 -2.33 -0.05 0.00 0.03 0.00 0.00 46.19 43.71 1p4i s LEU 21 CO -0.09 0.32 -0.18 0.42 0.23 0.00 0.00 176.35 177.06 1p4i s THR 22 N -0.79 2.12 -0.19 5.49 -4.23 -1.26 -0.52 115.64 116.26 1p4i s THR 22 Ca 0.19 -2.26 -0.02 0.00 -1.18 0.00 0.00 61.69 58.42 1p4i s THR 22 Cb -0.14 -2.15 0.06 0.00 1.34 0.00 0.00 72.50 71.61 1p4i s THR 22 CO 0.08 -0.45 0.01 0.00 -0.54 0.00 0.00 174.62 173.72 1p4i s ARG 24 N 1.76 3.57 -0.06 0.00 0.52 0.10 -2.67 118.95 122.17 1p4i s ARG 24 Ca -0.02 -0.17 0.02 0.00 -0.52 0.00 0.00 55.73 55.05 1p4i s ARG 24 Cb -0.17 -2.95 -0.03 0.00 0.52 0.00 0.00 34.95 32.32 1p4i s ARG 24 CO -0.07 0.55 -0.11 0.45 0.02 0.00 0.00 175.30 176.13 1p4i s SER 25 N -2.27 4.28 0.00 0.23 0.15 -1.26 -0.59 113.70 114.24 1p4i s SER 25 Ca 0.36 -0.13 0.28 0.00 0.70 0.00 0.00 55.95 57.17 1p4i s SER 25 Cb -0.13 -0.98 1.28 0.00 -1.71 0.00 0.00 66.02 64.48 1p4i s SER 25 CO 0.23 0.35 1.93 -1.54 1.20 0.00 0.00 173.24 175.41 1p4i n SER 26 N 2.28 0.00 -1.44 5.45 3.41 -0.96 -3.37 113.62 118.99 1p4i n SER 26 Ca -0.17 0.29 0.11 0.00 -0.26 0.00 0.00 58.87 58.83 1p4i n SER 26 Cb 0.52 -0.43 0.34 0.00 -0.26 0.00 0.00 64.21 64.38 1p4i n SER 26 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1p4i n THR 27 N -1.43 1.30 0.00 6.66 -2.24 -1.26 -4.98 114.28 112.33 1p4i n THR 27 Ca 0.09 -1.07 0.00 0.00 -2.27 0.00 0.00 64.05 60.80 1p4i n THR 27 Cb 0.29 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.89 1p4i n THR 27 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1p4i n GLY 29 N 1.46 0.20 3.20 3.38 0.00 -1.22 -5.08 105.19 107.14 1p4i n GLY 29 Ca 0.25 -2.30 -0.35 0.00 0.00 0.00 0.00 46.02 43.63 1p4i n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p4i n ALA 30 N -0.86 -4.12 -2.71 4.61 0.00 -1.26 -4.32 120.51 111.86 1p4i n ALA 30 Ca 0.00 -0.64 -0.38 0.00 0.00 0.00 0.00 53.44 52.42 1p4i n ALA 30 Cb 0.00 -1.45 -0.11 0.00 0.00 0.00 0.00 19.45 17.89 1p4i n ALA 30 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1p4i s VAL 31 N -2.17 5.00 0.80 0.00 1.01 -0.88 -4.92 120.40 119.24 1p4i s VAL 31 Ca 0.48 -0.10 -0.05 0.00 0.00 0.00 0.00 61.98 62.31 1p4i s VAL 31 Cb -0.20 -3.46 0.17 0.00 0.00 0.00 0.00 36.38 32.89 1p4i s VAL 31 CO 0.75 0.16 1.10 0.41 0.00 0.00 0.00 175.10 177.52 1p4i n THR 32 N 5.03 0.00 1.20 3.92 -1.04 -1.26 -4.76 114.28 117.37 1p4i n THR 32 Ca -0.14 -1.39 0.13 0.00 -2.04 0.00 0.00 64.05 60.61 1p4i n THR 32 Cb 0.51 -1.08 0.46 0.00 -1.82 0.00 0.00 70.33 68.39 1p4i n THR 32 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1p4i n THR 33 N -3.15 0.00 1.08 12.58 -2.24 -1.26 -3.19 114.28 118.10 1p4i n THR 33 Ca 0.17 -0.05 0.11 0.00 -2.27 0.00 0.00 64.05 62.00 1p4i n THR 33 Cb 0.59 0.06 0.34 0.00 -2.10 0.00 0.00 70.33 69.22 1p4i n THR 33 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1p4i n SER 38 N -1.11 1.95 -0.29 3.42 3.41 -1.26 -3.04 113.62 116.70 1p4i n SER 38 Ca 0.10 -1.76 0.11 0.00 -0.26 0.00 0.00 58.87 57.06 1p4i n SER 38 Cb 0.32 -0.13 0.09 0.00 -0.26 0.00 0.00 64.21 64.23 1p4i n SER 38 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1p4i n ASN 39 N 0.51 1.43 -4.17 4.04 5.03 -1.19 -4.82 115.26 116.09 1p4i n ASN 39 Ca 0.16 -1.14 -0.36 0.00 0.87 0.00 0.00 54.58 54.12 1p4i n ASN 39 Cb 0.37 0.47 -0.04 0.00 -1.02 0.00 0.00 39.78 39.57 1p4i n ASN 39 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1p4i n TYR 40 N -0.61 -1.63 -1.62 3.10 4.02 -1.17 0.11 117.16 119.37 1p4i n TYR 40 Ca 0.09 0.72 -0.63 0.00 -0.01 0.00 0.00 57.90 58.07 1p4i n TYR 40 Cb 0.40 -2.64 -0.09 0.00 -0.02 0.00 0.00 39.34 36.99 1p4i n TYR 40 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1p4i n ALA 41 N -4.18 -2.48 -2.52 -0.72 0.00 -1.26 -3.29 120.51 106.06 1p4i n ALA 41 Ca 0.08 0.55 -0.24 0.00 0.00 0.00 0.00 53.44 53.82 1p4i n ALA 41 Cb 0.48 -1.83 -0.14 0.00 0.00 0.00 0.00 19.45 17.97 1p4i n ALA 41 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1p4i s SER 42 N 1.51 2.33 -0.07 0.00 0.01 0.00 -0.44 113.70 117.05 1p4i s SER 42 Ca 0.98 -0.52 0.04 0.00 1.31 0.00 0.00 55.95 57.75 1p4i s SER 42 Cb -1.38 -0.18 0.00 0.00 0.21 0.00 0.00 66.02 64.67 1p4i s SER 42 CO 0.69 0.13 -0.18 0.26 0.41 0.00 0.00 173.24 174.55 1p4i s TRP 43 N -0.84 1.94 0.04 2.43 0.52 0.95 -0.47 118.94 123.50 1p4i s TRP 43 Ca 0.06 -0.67 0.04 0.00 0.02 0.00 0.00 56.10 55.55 1p4i s TRP 43 Cb -0.09 -1.32 -0.02 0.00 -1.15 0.00 0.00 33.47 30.89 1p4i s TRP 43 CO 0.02 -0.27 -0.11 0.14 0.02 0.00 0.00 176.95 176.75 1p4i s VAL 44 N 0.26 0.84 -0.11 4.03 -7.23 -0.35 -1.29 120.40 116.55 1p4i s VAL 44 Ca -0.11 -0.93 -0.04 0.00 -1.81 0.00 0.00 61.98 59.09 1p4i s VAL 44 Cb -0.15 -0.80 -0.04 0.00 0.56 0.00 0.00 36.38 35.96 1p4i s VAL 44 CO 0.05 -0.11 0.05 -1.58 -0.31 0.00 0.00 175.10 173.20 1p4i s GLN 45 N -1.16 3.29 -0.37 4.82 0.74 -0.16 -0.91 119.66 125.92 1p4i s GLN 45 Ca -0.02 -0.32 -0.04 0.00 0.05 0.00 0.00 55.36 55.03 1p4i s GLN 45 Cb -0.08 -2.98 0.08 0.00 1.10 0.00 0.00 33.01 31.13 1p4i s GLN 45 CO 0.01 0.65 0.14 -2.00 -0.55 0.00 0.00 175.29 173.53 1p4i s GLU 46 N -0.70 2.28 0.43 1.67 2.12 0.05 -1.00 118.70 123.55 1p4i s GLU 46 Ca 0.12 -1.53 -0.08 0.00 0.36 0.00 0.00 54.97 53.84 1p4i s GLU 46 Cb -0.12 -3.47 -0.05 0.00 0.26 0.00 0.00 34.13 30.75 1p4i s GLU 46 CO 0.02 -0.87 0.77 0.15 -0.54 0.00 0.00 175.26 174.79 1p4i s LYS 47 N 1.24 3.67 0.21 4.30 -0.14 0.70 -2.99 119.74 126.74 1p4i s LYS 47 Ca 0.02 0.34 -0.30 0.00 -1.36 0.00 0.00 55.97 54.67 1p4i s LYS 47 Cb -0.21 -2.39 -0.16 0.00 -1.68 0.00 0.00 37.83 33.39 1p4i s LYS 47 CO -0.02 -0.10 0.95 -2.30 -0.76 0.00 0.00 175.35 173.12 1p4i n PRO 48 N -1.69 0.89 -0.66 -1.68 -0.02 -1.26 -1.89 135.00 128.69 1p4i n PRO 48 Ca 0.01 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 1p4i n PRO 48 Cb 0.54 -1.65 0.00 0.00 -0.02 0.00 0.00 33.50 32.38 1p4i n PRO 48 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1p4i n ASP 49 N 1.69 -0.39 -4.13 2.55 2.03 -1.26 -4.39 116.55 112.65 1p4i n ASP 49 Ca 0.14 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 55.13 1p4i n ASP 49 Cb 0.26 -0.16 -0.05 0.00 -0.72 0.00 0.00 41.12 40.46 1p4i n ASP 49 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1p4i n HIS 50 N -1.62 -1.44 -3.89 -0.67 8.25 -1.18 -4.93 115.22 109.73 1p4i n HIS 50 Ca 0.00 0.55 -0.36 0.00 -0.26 0.00 0.00 57.72 57.65 1p4i n HIS 50 Cb 0.16 -3.12 -0.11 0.00 1.12 0.00 0.00 29.99 28.04 1p4i n HIS 50 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1p4i s LEU 51 N -7.22 3.64 0.03 2.41 2.96 -0.79 -4.98 118.68 114.73 1p4i s LEU 51 Ca 0.12 -0.06 0.05 0.00 -0.22 0.00 0.00 54.13 54.01 1p4i s LEU 51 Cb -0.06 -1.95 -0.03 0.00 0.50 0.00 0.00 46.19 44.65 1p4i s LEU 51 CO 0.95 0.06 -0.09 -0.36 -1.32 0.00 0.00 176.35 175.60 1p4i s PHE 52 N 1.03 2.80 -0.02 5.38 0.40 -1.26 -0.21 117.98 126.10 1p4i s PHE 52 Ca 0.04 -0.10 0.01 0.00 -0.60 0.00 0.00 56.93 56.28 1p4i s PHE 52 Cb -0.14 -1.55 0.02 0.00 0.51 0.00 0.00 43.02 41.86 1p4i s PHE 52 CO 0.03 0.36 -0.01 0.99 0.70 0.00 0.00 175.22 177.29 1p4i s THR 53 N -1.03 0.20 0.08 0.64 2.01 -0.17 -4.97 115.64 112.40 1p4i s THR 53 Ca 0.18 0.01 -0.30 0.00 0.31 0.00 0.00 61.69 61.89 1p4i s THR 53 Cb -0.11 -0.26 -0.05 0.00 0.01 0.00 0.00 72.50 72.09 1p4i s THR 53 CO 0.08 0.12 0.99 -0.83 -0.69 0.00 0.00 174.62 174.29 1p4i s GLY 54 N 0.66 2.94 -0.07 4.40 0.00 -1.26 -0.98 107.32 113.01 1p4i s GLY 54 Ca -0.07 0.60 -0.08 0.00 0.00 0.00 0.00 44.72 45.17 1p4i s GLY 54 CO -0.01 1.56 -0.18 1.04 0.00 0.00 0.00 173.10 175.52 1p4i n LEU 55 N 3.12 1.37 -4.03 0.66 4.77 -0.41 -4.73 117.00 117.75 1p4i n LEU 55 Ca 0.04 0.22 -0.13 0.00 -0.03 0.00 0.00 56.01 56.10 1p4i n LEU 55 Cb 0.49 -0.50 -0.12 0.00 -2.33 0.00 0.00 43.42 40.96 1p4i n LEU 55 CO 0.52 -0.28 -0.40 -0.63 -1.33 0.00 0.00 177.39 175.27 1p4i s ILE 56 N -2.40 0.45 -0.07 -0.08 -1.09 -1.08 -1.58 121.20 115.36 1p4i s ILE 56 Ca -0.16 -0.87 -0.09 0.00 -2.23 0.00 0.00 60.65 57.30 1p4i s ILE 56 Cb 0.04 -0.50 0.02 0.00 -1.58 0.00 0.00 42.46 40.44 1p4i s ILE 56 CO 0.22 -0.29 0.24 -0.83 -1.23 0.00 0.00 174.94 173.05 1p4i s GLY 57 N -1.25 -0.15 -0.40 6.18 0.00 0.16 -0.04 107.32 111.83 1p4i s GLY 57 Ca -0.08 0.51 -0.01 0.00 0.00 0.00 0.00 44.72 45.15 1p4i s GLY 57 CO 0.00 0.39 0.34 0.61 0.00 0.00 0.00 173.10 174.44 1p4i n GLY 58 N 2.44 0.24 5.00 0.20 0.00 -0.97 -2.08 105.19 110.03 1p4i n GLY 58 Ca -0.16 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1p4i n GLY 58 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1p4i n THR 67 N -2.29 0.00 -1.61 2.61 -1.04 0.42 -3.74 114.28 108.62 1p4i n THR 67 Ca -0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 1p4i n THR 67 Cb 0.55 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.06 1p4i n THR 67 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1p4i n ASN 68 N 2.08 0.00 -4.60 8.00 6.94 -1.26 -3.00 115.26 123.42 1p4i n ASN 68 Ca 0.00 -1.32 -0.42 0.00 -0.02 0.00 0.00 54.58 52.82 1p4i n ASN 68 Cb 0.00 -0.06 -0.05 0.00 -2.36 0.00 0.00 39.78 37.30 1p4i n ASN 68 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 1p4i s ASN 69 N -0.32 6.61 -0.23 0.53 0.01 -0.89 -4.65 114.94 116.01 1p4i s ASN 69 Ca 0.00 0.55 -0.26 0.00 -0.71 0.00 0.00 52.86 52.44 1p4i s ASN 69 Cb 0.00 -2.39 -0.00 0.00 0.41 0.00 0.00 41.25 39.26 1p4i s ASN 69 CO 0.00 -0.62 0.88 -0.60 -1.51 0.00 0.00 177.10 175.25 1p4i s ARG 70 N 2.93 4.22 0.27 -0.60 3.52 -1.26 -0.66 118.95 127.37 1p4i s ARG 70 Ca 0.31 1.05 -0.29 0.00 -0.13 0.00 0.00 55.73 56.67 1p4i s ARG 70 Cb -0.14 -3.63 -0.14 0.00 -1.56 0.00 0.00 34.95 29.48 1p4i s ARG 70 CO 0.13 -0.51 1.19 0.00 -0.81 0.00 0.00 175.30 175.31 1p4i n ALA 71 N 5.93 0.36 -1.70 6.12 0.00 -0.61 -4.86 120.51 125.75 1p4i n ALA 71 Ca 0.07 0.40 -0.42 0.00 0.00 0.00 0.00 53.44 53.49 1p4i n ALA 71 Cb 0.47 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.79 1p4i n ALA 71 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1p4i n PRO 72 N 1.15 2.03 -0.48 0.00 -0.04 -1.26 -2.20 135.00 134.21 1p4i n PRO 72 Ca 0.10 0.72 0.00 0.00 -0.04 0.00 0.00 63.50 64.27 1p4i n PRO 72 Cb 0.32 -2.36 0.00 0.00 -0.04 0.00 0.00 33.50 31.41 1p4i n PRO 72 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1p4i n GLY 73 N 0.79 1.04 3.82 0.55 0.00 -1.26 -5.05 105.19 105.08 1p4i n GLY 73 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 1p4i n GLY 73 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p4i s VAL 74 N -3.10 4.76 0.83 1.61 1.01 -0.93 -5.05 120.40 119.52 1p4i s VAL 74 Ca 0.00 1.12 -0.14 0.00 0.00 0.00 0.00 61.98 62.96 1p4i s VAL 74 Cb 0.00 -3.85 0.03 0.00 0.00 0.00 0.00 36.38 32.56 1p4i s VAL 74 CO 0.00 0.44 0.71 -2.65 0.00 0.00 0.00 175.10 173.60 1p4i n PRO 75 N 1.38 0.06 0.00 2.72 -0.02 -1.26 -4.91 135.00 132.97 1p4i n PRO 75 Ca -0.08 0.08 0.14 0.00 -2.02 0.00 0.00 63.50 61.61 1p4i n PRO 75 Cb 0.51 -2.04 0.61 0.00 -0.02 0.00 0.00 33.50 32.57 1p4i n PRO 75 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1p4i n ALA 76 N -3.09 2.47 0.30 3.55 0.00 -1.26 -3.28 120.51 119.20 1p4i n ALA 76 Ca 0.10 -0.13 0.17 0.00 0.00 0.00 0.00 53.44 53.57 1p4i n ALA 76 Cb 0.51 -1.44 0.66 0.00 0.00 0.00 0.00 19.45 19.18 1p4i n ALA 76 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1p4i h ARG 77 N 0.02 0.00 -5.88 0.00 0.11 -1.91 -3.43 114.38 103.29 1p4i h ARG 77 Ca 0.00 0.00 -0.63 0.00 0.10 0.00 0.00 59.98 59.45 1p4i h ARG 77 Cb 0.46 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.48 1p4i h ARG 77 CO 0.00 0.00 -0.35 -0.06 0.10 0.00 0.00 179.97 179.66 1p4i s PHE 78 N -3.62 3.62 -0.20 4.08 0.08 -1.21 -0.34 117.98 120.41 1p4i s PHE 78 Ca 0.02 0.68 -0.28 0.00 0.12 0.00 0.00 56.93 57.47 1p4i s PHE 78 Cb 0.09 -2.06 0.11 0.00 -0.57 0.00 0.00 43.02 40.59 1p4i s PHE 78 CO 0.52 0.65 0.94 -1.54 -0.10 0.00 0.00 175.22 175.68 1p4i s SER 79 N -1.38 -0.48 0.25 1.36 1.04 -0.92 -4.98 113.70 108.60 1p4i s SER 79 Ca 0.24 0.72 0.11 0.00 0.48 0.00 0.00 55.95 57.50 1p4i s SER 79 Cb -0.14 0.65 -0.05 0.00 0.10 0.00 0.00 66.02 66.59 1p4i s SER 79 CO 0.12 -0.31 -0.18 -0.83 0.98 0.00 0.00 173.24 173.03 1p4i s GLY 80 N -0.50 1.81 0.14 7.32 0.00 -1.26 0.34 107.32 115.17 1p4i s GLY 80 Ca -0.01 -1.77 -0.23 0.00 0.00 0.00 0.00 44.72 42.71 1p4i s GLY 80 CO 0.00 -1.84 1.07 -1.14 0.00 0.00 0.00 173.10 171.19 1p4i n SER 81 N -0.41 -1.61 -4.65 1.64 3.41 0.44 -4.38 113.62 108.06 1p4i n SER 81 Ca -0.07 -1.77 -0.35 0.00 -0.26 0.00 0.00 58.87 56.42 1p4i n SER 81 Cb 0.59 2.60 -0.10 0.00 -0.26 0.00 0.00 64.21 67.04 1p4i n SER 81 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1p4i s LEU 82 N 0.00 3.49 -0.37 1.04 1.43 -1.26 0.77 118.68 123.79 1p4i s LEU 82 Ca 0.24 0.10 0.02 0.00 -1.03 0.00 0.00 54.13 53.46 1p4i s LEU 82 Cb -0.02 -1.79 0.15 0.00 0.03 0.00 0.00 46.19 44.55 1p4i s LEU 82 CO 0.04 0.36 0.29 -0.63 0.23 0.00 0.00 176.35 176.64 1p4i s ILE 83 N -0.79 -0.02 0.00 -0.59 1.01 -0.14 -4.88 121.20 115.78 1p4i s ILE 83 Ca 0.12 -1.54 0.00 0.00 0.00 0.00 0.00 60.65 59.23 1p4i s ILE 83 Cb -0.11 -0.95 0.00 0.00 0.01 0.00 0.00 42.46 41.40 1p4i s ILE 83 CO 0.02 -0.86 0.00 0.61 0.00 0.00 0.00 174.94 174.71 1p4i n GLY 84 N 3.98 0.71 0.41 6.18 0.00 -1.26 -3.63 105.19 111.58 1p4i n GLY 84 Ca 0.13 -1.20 0.04 0.00 0.00 0.00 0.00 46.02 44.99 1p4i n GLY 84 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1p4i n ASP 87 N 2.50 1.20 -4.20 1.61 10.43 -1.26 -4.72 116.55 122.11 1p4i n ASP 87 Ca 0.00 -2.00 -0.22 0.00 2.57 0.00 0.00 54.79 55.14 1p4i n ASP 87 Cb 0.00 -0.15 -0.09 0.00 1.84 0.00 0.00 41.12 42.72 1p4i n ASP 87 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 1p4i s LYS 88 N -1.70 1.72 -0.02 -1.24 1.02 -1.24 -2.07 119.74 116.21 1p4i s LYS 88 Ca 0.15 -2.00 -0.01 0.00 0.02 0.00 0.00 55.97 54.13 1p4i s LYS 88 Cb 0.08 -0.51 -0.04 0.00 -0.52 0.00 0.00 37.83 36.84 1p4i s LYS 88 CO 0.10 -0.38 0.11 0.00 -0.92 0.00 0.00 175.35 174.26 1p4i s ALA 89 N -3.39 3.69 -0.01 5.17 0.00 -1.09 -0.96 121.76 125.16 1p4i s ALA 89 Ca 0.32 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 51.46 1p4i s ALA 89 Cb 0.05 -1.68 0.00 0.00 0.00 0.00 0.00 23.12 21.50 1p4i s ALA 89 CO 0.15 0.70 -0.05 0.00 0.00 0.00 0.00 175.76 176.57 1p4i s ALA 90 N -1.21 0.45 -0.23 0.00 0.00 0.23 -1.06 121.76 119.94 1p4i s ALA 90 Ca 0.23 -0.16 -0.04 0.00 0.00 0.00 0.00 51.96 52.00 1p4i s ALA 90 Cb -0.12 -0.17 0.00 0.00 0.00 0.00 0.00 23.12 22.83 1p4i s ALA 90 CO 0.14 0.07 -0.04 -1.17 0.00 0.00 0.00 175.76 174.77 1p4i s LEU 91 N 0.13 3.05 -0.17 0.00 2.96 0.33 -0.42 118.68 124.56 1p4i s LEU 91 Ca -0.01 -0.54 -0.02 0.00 -0.22 0.00 0.00 54.13 53.34 1p4i s LEU 91 Cb -0.05 -1.73 -0.01 0.00 0.50 0.00 0.00 46.19 44.90 1p4i s LEU 91 CO -0.00 -0.06 -0.10 -0.89 -1.32 0.00 0.00 176.35 173.98 1p4i s THR 92 N 1.44 3.16 -0.39 3.68 2.01 0.15 -0.81 115.64 124.89 1p4i s THR 92 Ca 0.04 -0.60 -0.13 0.00 0.31 0.00 0.00 61.69 61.32 1p4i s THR 92 Cb -0.15 -2.38 0.02 0.00 0.01 0.00 0.00 72.50 70.00 1p4i s THR 92 CO -0.03 0.49 0.25 -0.63 -0.69 0.00 0.00 174.62 174.00 1p4i s ILE 93 N 0.83 4.93 -0.51 1.82 1.01 -0.41 -2.17 121.20 126.70 1p4i s ILE 93 Ca -0.03 -0.71 -0.17 0.00 0.00 0.00 0.00 60.65 59.74 1p4i s ILE 93 Cb -0.15 -3.73 0.09 0.00 0.01 0.00 0.00 42.46 38.68 1p4i s ILE 93 CO 0.01 -0.24 0.51 -0.89 0.00 0.00 0.00 174.94 174.32 1p4i s THR 94 N 1.62 5.10 0.00 2.92 2.01 0.54 -1.96 115.64 125.88 1p4i s THR 94 Ca 0.04 -1.04 0.00 0.00 0.31 0.00 0.00 61.69 61.00 1p4i s THR 94 Cb -0.19 -4.26 0.00 0.00 0.01 0.00 0.00 72.50 68.06 1p4i s THR 94 CO 0.08 -0.77 0.00 0.61 -0.69 0.00 0.00 174.62 173.86 1p4i n GLY 95 N 5.22 0.67 3.37 4.40 0.00 -0.37 -4.73 105.19 113.75 1p4i n GLY 95 Ca -0.11 -0.53 -0.34 0.00 0.00 0.00 0.00 46.02 45.03 1p4i n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p4i n ALA 96 N -0.64 -2.66 -2.55 4.61 0.00 0.23 -4.29 120.51 115.22 1p4i n ALA 96 Ca 0.00 -0.50 -0.11 0.00 0.00 0.00 0.00 53.44 52.83 1p4i n ALA 96 Cb 0.24 -1.72 -0.11 0.00 0.00 0.00 0.00 19.45 17.86 1p4i n ALA 96 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1p4i s GLN 97 N -3.12 0.62 0.23 0.00 -0.21 -1.26 -0.44 119.66 115.48 1p4i s GLN 97 Ca 0.57 -1.00 -0.07 0.00 0.02 0.00 0.00 55.36 54.89 1p4i s GLN 97 Cb -0.25 -0.16 0.40 0.00 1.00 0.00 0.00 33.01 33.99 1p4i s GLN 97 CO 0.67 -0.00 1.70 1.79 -2.12 0.00 0.00 175.29 177.32 1p4i h THR 98 N 3.82 0.59 0.00 -0.19 1.35 -1.95 -0.81 112.91 115.72 1p4i h THR 98 Ca -0.35 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 1p4i h THR 98 Cb 1.18 0.26 0.00 0.00 -1.73 0.00 0.00 68.15 67.87 1p4i h THR 98 CO 0.52 0.05 0.00 -1.84 -0.25 0.00 0.00 175.52 174.00 1p4i n GLU 99 N -5.12 0.52 -0.01 4.72 0.00 -1.26 -2.42 120.64 117.07 1p4i n GLU 99 Ca 0.12 0.00 0.13 0.00 0.00 0.00 0.00 57.16 57.41 1p4i n GLU 99 Cb 0.40 -1.10 0.32 0.00 0.00 0.00 0.00 31.44 31.06 1p4i n GLU 99 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1p4i n ASP 100 N -0.60 2.25 -4.64 -1.84 8.00 -0.31 -4.87 116.55 114.54 1p4i n ASP 100 Ca 0.03 -1.75 -0.43 0.00 0.71 0.00 0.00 54.79 53.35 1p4i n ASP 100 Cb 0.01 -0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.08 1p4i n ASP 100 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1p4i s GLU 101 N -1.98 3.99 0.03 -1.24 2.12 -1.02 -4.88 118.70 115.72 1p4i s GLU 101 Ca 0.33 1.90 -0.16 0.00 0.36 0.00 0.00 54.97 57.40 1p4i s GLU 101 Cb 0.20 -4.00 0.05 0.00 0.26 0.00 0.00 34.13 30.65 1p4i s GLU 101 CO 0.32 -1.06 0.73 0.00 -0.54 0.00 0.00 175.26 174.70 1p4i n ALA 102 N 7.78 -2.01 -2.89 6.30 0.00 -0.89 -4.87 120.51 123.93 1p4i n ALA 102 Ca 0.18 -0.53 -0.34 0.00 0.00 0.00 0.00 53.44 52.74 1p4i n ALA 102 Cb 0.44 0.18 -0.11 0.00 0.00 0.00 0.00 19.45 19.96 1p4i n ALA 102 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1p4i s ILE 103 N -2.13 4.43 -0.04 0.00 1.01 -1.16 0.02 121.20 123.32 1p4i s ILE 103 Ca 0.17 -0.16 0.02 0.00 0.00 0.00 0.00 60.65 60.67 1p4i s ILE 103 Cb -0.01 -2.99 -0.03 0.00 0.01 0.00 0.00 42.46 39.44 1p4i s ILE 103 CO 0.01 0.46 -0.06 -0.31 0.00 0.00 0.00 174.94 175.04 1p4i s TYR 104 N 0.49 2.95 0.10 3.97 1.51 0.09 -0.77 117.35 125.68 1p4i s TYR 104 Ca 0.01 0.02 0.08 0.00 -1.01 0.00 0.00 57.07 56.16 1p4i s TYR 104 Cb -0.13 -1.67 -0.03 0.00 -0.11 0.00 0.00 41.96 40.01 1p4i s TYR 104 CO 0.01 0.37 -0.19 -0.06 -1.11 0.00 0.00 175.55 174.57 1p4i s PHE 105 N -0.91 1.69 0.07 2.71 0.08 -0.08 -0.09 117.98 121.45 1p4i s PHE 105 Ca 0.15 -0.43 0.10 0.00 0.12 0.00 0.00 56.93 56.86 1p4i s PHE 105 Cb -0.11 -0.92 -0.03 0.00 -0.57 0.00 0.00 43.02 41.39 1p4i s PHE 105 CO 0.04 0.19 -0.26 0.00 -0.10 0.00 0.00 175.22 175.10 1p4i s ALA 107 N -0.88 1.75 -0.08 0.00 0.00 0.38 -0.61 121.76 122.32 1p4i s ALA 107 Ca 0.12 -0.88 0.02 0.00 0.00 0.00 0.00 51.96 51.23 1p4i s ALA 107 Cb -0.10 -0.49 0.01 0.00 0.00 0.00 0.00 23.12 22.54 1p4i s ALA 107 CO 0.03 0.39 -0.14 -0.51 0.00 0.00 0.00 175.76 175.53 1p4i s LEU 108 N -0.33 1.71 -0.26 0.00 1.02 -0.88 -0.82 118.68 119.12 1p4i s LEU 108 Ca 0.04 -0.35 -0.22 0.00 0.02 0.00 0.00 54.13 53.62 1p4i s LEU 108 Cb -0.10 -0.94 -0.01 0.00 0.02 0.00 0.00 46.19 45.16 1p4i s LEU 108 CO 0.00 0.05 0.70 0.86 0.02 0.00 0.00 176.35 177.98 1p4i s TRP 109 N 0.67 3.27 0.00 0.29 -0.11 0.30 -2.15 118.94 121.21 1p4i s TRP 109 Ca -0.14 0.88 0.00 0.00 1.22 0.00 0.00 56.10 58.06 1p4i s TRP 109 Cb -0.16 -2.95 0.00 0.00 -1.50 0.00 0.00 33.47 28.86 1p4i s TRP 109 CO 0.04 -0.38 0.00 0.66 -4.62 0.00 0.00 176.95 172.64 1p4i n TYR 110 N 5.86 0.00 -0.08 5.86 4.02 -0.47 -4.28 117.16 128.06 1p4i n TYR 110 Ca 0.01 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.80 1p4i n TYR 110 Cb 0.48 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.77 1p4i n TYR 110 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1p4i h SER 111 N 0.00 0.35 0.00 7.72 4.64 -1.97 -3.38 113.55 120.92 1p4i h SER 111 Ca 0.00 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1p4i h SER 111 Cb 0.00 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 1p4i h SER 111 CO 0.00 0.42 0.00 -0.46 -0.87 0.00 0.00 176.83 175.92 1p4i n ASN 135 N -4.78 0.46 -4.04 4.97 0.23 -1.26 -5.10 115.26 105.74 1p4i n ASN 135 Ca -0.03 -0.85 -0.08 0.00 -0.53 0.00 0.00 54.58 53.09 1p4i n ASN 135 Cb 0.13 0.12 -0.09 0.00 -2.08 0.00 0.00 39.78 37.86 1p4i n ASN 135 CO 0.00 0.00 0.00 -1.38 -0.93 0.00 0.00 177.26 174.95 1p4i s HIS 136 N -0.12 0.52 0.09 -2.53 -3.43 -1.26 -5.15 115.29 103.40 1p4i s HIS 136 Ca 0.00 -0.98 -0.05 0.00 -0.80 0.00 0.00 55.06 53.23 1p4i s HIS 136 Cb 0.00 -0.31 -0.05 0.00 -1.43 0.00 0.00 32.58 30.79 1p4i s HIS 136 CO 0.00 -0.49 0.32 -1.58 -2.00 0.00 0.00 174.74 170.99 1p4i s TRP 137 N -3.95 3.52 -0.08 0.38 0.52 -1.26 -1.37 118.94 116.70 1p4i s TRP 137 Ca 0.12 0.52 -0.03 0.00 0.02 0.00 0.00 56.10 56.74 1p4i s TRP 137 Cb 0.07 -1.97 0.04 0.00 -1.15 0.00 0.00 33.47 30.46 1p4i s TRP 137 CO -0.06 0.52 0.07 0.08 0.02 0.00 0.00 176.95 177.58 1p4i s VAL 138 N -1.51 -0.10 0.61 4.03 1.01 -0.92 -4.96 120.40 118.56 1p4i s VAL 138 Ca 0.36 0.25 -0.10 0.00 0.00 0.00 0.00 61.98 62.49 1p4i s VAL 138 Cb -0.13 -0.28 -0.03 0.00 0.00 0.00 0.00 36.38 35.95 1p4i s VAL 138 CO 0.22 0.04 1.00 -0.36 0.00 0.00 0.00 175.10 176.00 1p4i s PHE 139 N 2.16 3.54 0.62 5.22 0.40 -1.26 -2.07 117.98 126.60 1p4i s PHE 139 Ca 0.04 1.14 0.01 0.00 -0.60 0.00 0.00 56.93 57.52 1p4i s PHE 139 Cb -0.13 -2.72 0.08 0.00 0.51 0.00 0.00 43.02 40.75 1p4i s PHE 139 CO -0.05 -0.73 0.87 0.20 0.70 0.00 0.00 175.22 176.21 1p4i s GLY 140 N -4.21 1.79 0.31 4.36 0.00 0.22 -4.51 107.32 105.28 1p4i s GLY 140 Ca 0.54 -1.60 0.26 0.00 0.00 0.00 0.00 44.72 43.92 1p4i s GLY 140 CO 0.52 -1.18 1.77 -1.33 0.00 0.00 0.00 173.10 172.88 1p4i h GLY 141 N -0.16 0.00 0.00 0.20 0.00 -1.91 -3.45 103.07 97.76 1p4i h GLY 141 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.95 1p4i h GLY 141 CO 0.45 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.60 1p4i n GLY 142 N 0.13 0.31 3.19 4.60 0.00 -1.26 -5.03 105.19 107.13 1p4i n GLY 142 Ca 0.02 -1.50 -0.33 0.00 0.00 0.00 0.00 46.02 44.21 1p4i n GLY 142 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1p4i s THR 143 N -2.04 2.45 -0.40 2.61 2.01 0.88 -4.62 115.64 116.52 1p4i s THR 143 Ca 0.00 -0.82 -0.28 0.00 0.31 0.00 0.00 61.69 60.90 1p4i s THR 143 Cb 0.00 -2.05 0.02 0.00 0.01 0.00 0.00 72.50 70.48 1p4i s THR 143 CO 0.00 0.51 1.05 -0.75 -0.69 0.00 0.00 174.62 174.74 1p4i s LYS 144 N 1.18 3.83 -0.29 4.92 2.47 -0.24 -0.73 119.74 130.88 1p4i s LYS 144 Ca 0.02 0.67 -0.10 0.00 -1.56 0.00 0.00 55.97 55.00 1p4i s LYS 144 Cb -0.14 -3.83 -0.03 0.00 -1.46 0.00 0.00 37.83 32.36 1p4i s LYS 144 CO -0.07 -1.12 0.16 -1.17 0.16 0.00 0.00 175.35 173.31 1p4i s LEU 145 N 3.91 3.98 -0.21 5.43 2.96 0.10 -1.30 118.68 133.55 1p4i s LEU 145 Ca 0.44 -0.21 -0.06 0.00 -0.22 0.00 0.00 54.13 54.08 1p4i s LEU 145 Cb -0.10 -2.06 -0.03 0.00 0.50 0.00 0.00 46.19 44.51 1p4i s LEU 145 CO 0.23 -0.10 0.02 -0.89 -1.32 0.00 0.00 176.35 174.30 1p4i s THR 146 N 1.70 4.12 -0.35 3.68 2.01 -0.54 -2.09 115.64 124.18 1p4i s THR 146 Ca 0.06 -0.25 -0.06 0.00 0.31 0.00 0.00 61.69 61.75 1p4i s THR 146 Cb -0.16 -2.88 0.05 0.00 0.01 0.00 0.00 72.50 69.52 1p4i s THR 146 CO 0.08 0.41 0.12 -0.69 -0.69 0.00 0.00 174.62 173.85 1p4i s VAL 147 N 1.12 3.72 -2.55 3.82 1.01 -1.26 -1.14 120.40 125.11 1p4i s VAL 147 Ca 0.03 -1.26 0.28 0.00 0.00 0.00 0.00 61.98 61.03 1p4i s VAL 147 Cb -0.14 -3.16 0.51 0.00 0.00 0.00 0.00 36.38 33.59 1p4i s VAL 147 CO 0.02 -0.25 1.70 0.18 0.00 0.00 0.00 175.10 176.75